(CH2O)3 70590C 3H 6O 3 G 0300.00 4000.00 1500.00 1 0.01913678E+03 0.08578044E-01-0.08882060E-05-0.03574819E-08 0.06605143E-12 2 -0.06560876E+06-0.08432507E+03-0.04662286E+02 0.06091547E+00-0.04710536E-03 3 0.01968843E-06-0.03563271E-10-0.05665404E+06 0.04525265E+03 4 (CH3)2SICH2 61991H 8C 3SI 1 G 0300.00 2500.00 1500.00 1 0.01547852E+03 0.01065700E+00-0.01234345E-05-0.01293352E-07 0.02528715E-11 2 -0.06693076E+04-0.05358884E+03 0.02027522E+02 0.04408673E+00-0.03370024E-03 3 0.01484466E-06-0.02830898E-10 0.03931454E+05 0.01815821E+03 4 AL 62987AL 1 G 0300.00 5000.00 0600.00 1 0.02559589E+02-0.01063224E-02 0.07202828E-06-0.02121105E-09 0.02289429E-13 2 0.03890214E+06 0.05234522E+02 0.02736825E+02-0.05912374E-02-0.04033938E-05 3 0.02322343E-07-0.01705599E-10 0.03886795E+06 0.04363880E+02 4 AL2H6 62987AL 2H 6 G 0300.00 1500.00 0600.00 1 0.02634884E+02 0.02135952E+00 0.03154151E-05-0.07684674E-07 0.02335832E-10 2 0.08871346E+05 0.09827515E+02-0.06800681E+02 0.05080744E+00 0.01039747E-03 3 -0.01119582E-05 0.08459155E-09 0.01060537E+06 0.05554526E+03 4 AL2ME6 62987AL 2C 6H 18 G 0300.00 1500.00 0600.00 1 0.01773147E+03 0.04935747E+00 0.01196854E-04-0.01639826E-06 0.04890867E-10 2 -0.03855560E+06-0.05053298E+03-0.07159750E+01 0.01067109E+01 0.02117605E-03 3 -0.02193212E-05 0.01644144E-08-0.03515546E+06 0.03890763E+03 4 ALAS 62987AL 1AS 1 G 0300.00 1500.00 0600.00 1 0.04790027E+02-0.01908226E-03-0.01983390E-05 0.02239358E-08-0.06904706E-12 2 0.05259290E+06 0.03259703E+02 0.05047764E+02-0.06419947E-02-0.01432071E-04 3 0.04754391E-07-0.03297621E-10 0.05254264E+06 0.01985206E+02 4 ALH 62987AL 1H 1 G 0300.00 5000.00 1000.00 1 0.03392644E+02 0.01215399E-01-0.04676595E-05 0.08691625E-09-0.06022669E-13 2 0.03006845E+06 0.02758899E+02 0.03071503E+02 0.02165549E-01-0.03275638E-04 3 0.04136984E-07-0.01877121E-10 0.03021221E+06 0.04548855E+02 4 ALH2 62987AL 1H 2 G 0300.00 1500.00 0600.00 1 0.04486543E+02 0.03128832E-01-0.01969438E-05-0.01016030E-07 0.03497468E-11 2 0.01960959E+06 0.08167897E+01 0.02442137E+02 0.09915913E-01 0.02471083E-05 3 -0.02119583E-06 0.01710234E-09 0.01997588E+06 0.01065270E+03 4 ALH3 62987AL 1H 3 G 0300.00 1500.00 0600.00 1 0.04186838E+02 0.06159249E-01-0.03877593E-06-0.02061928E-07 0.06600276E-11 2 0.07908079E+05 0.05134396E+01 0.01008323E+02 0.01640324E+00 0.01976746E-04 3 -0.03528558E-06 0.02753378E-09 0.08484656E+05 0.01585838E+03 4 ALME 62987AL 1C 1H 3 G 0300.00 1500.00 0600.00 1 0.04662737E+02 0.07097939E-01 0.02520013E-05-0.02114863E-07 0.06097489E-11 2 0.08203228E+05 0.01769245E+02 0.02664176E+02 0.01324914E+00 0.02525848E-04 3 -0.02394396E-06 0.01761855E-09 0.08574173E+05 0.01147449E+03 4 ALME2 62987AL 1C 2H 6 G 0300.00 1500.00 0600.00 1 0.06481282E+02 0.01474605E+00 0.05816529E-05-0.04621347E-07 0.01396041E-10 2 0.03745072E+05-0.02603326E+02 0.09494573E+01 0.03206354E+00 0.06134021E-04 3 -0.06500042E-06 0.04911485E-09 0.04761408E+05 0.02419465E+03 4 ALME3 62987AL 1C 3H 9 G 0300.00 1500.00 0600.00 1 0.06654948E+02 0.02455144E+00 0.01176575E-04-0.07815023E-07 0.02255622E-10 2 -0.01340952E+06-0.03454481E+02-0.07027567E+01 0.04682764E+00 0.01149903E-03 3 -0.09160441E-06 0.06687294E-09-0.01203799E+06 0.03232771E+03 4 AR 120186AR 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 4 AR+ 121286AR 1E -1 G 0300.00 5000.00 1000.00 1 0.02864864E+02-0.01203573E-02-0.01065199E-06 0.09074839E-10-0.09623876E-14 2 0.01827230E+07 0.03543585E+02 0.02301341E+02 0.08035529E-02-0.01758806E-05 3 -0.01781093E-08-0.08937268E-13 0.01829281E+07 0.06659358E+02 4 AS 62987AS 1 G 0300.00 1500.00 0600.00 1 0.02617011E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.03720455E+06 0.06995524E+02 0.02617011E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.03720455E+06 0.06995524E+02 4 AS2 62987AS 2 G 0300.00 1500.00 0600.00 1 0.04394201E+02 0.05389968E-02-0.02379401E-05-0.06541924E-09 0.05184186E-12 2 0.02235094E+06 0.04897919E+02 0.03682892E+02 0.03121811E-01-0.01074052E-04 3 -0.05629472E-07 0.05178811E-10 0.02247356E+06 0.08283423E+02 4 AS3 62987AS 3 G 0300.00 1500.00 0600.00 1 0.07404036E+02 0.07818426E-02-0.03918297E-05-0.05203629E-09 0.06291907E-12 2 0.03063825E+06-0.03417324E+02 0.06403142E+02 0.04477099E-01-0.01866642E-04 3 -0.07394750E-07 0.07012753E-10 0.03080965E+06 0.01337136E+02 4 AS4 62987AS 4 G 0300.00 1500.00 0600.00 1 0.09695766E+02 0.01306258E-01-0.05519564E-05-0.02150874E-08 0.01457935E-11 2 0.01571732E+06-0.01618870E+03 0.07853761E+02 0.07916509E-01-0.02329820E-04 3 -0.01526312E-06 0.01377435E-09 0.01603629E+06-0.07409755E+02 4 ASALME 62987AS 1AL 1C 1H 3G 0300.00 1500.00 0600.00 1 0.07127107E+02 0.07357864E-01 0.02300796E-06-0.02226399E-07 0.06927227E-11 2 0.03273438E+06-0.01847179E+02 0.04053423E+02 0.01726125E+00 0.01833498E-04 3 -0.03386953E-06 0.02626981E-09 0.03329309E+06 0.01299665E+03 4 ASALME2 62987AS 1AL 1C 2H 6G 0300.00 1500.00 0600.00 1 0.09909938E+02 0.01463850E+00 0.04118731E-05-0.04444658E-07 0.01329501E-10 2 0.02815111E+06-0.01523531E+03 0.04808530E+02 0.03067687E+00 0.05048001E-04 3 -0.05908099E-06 0.04462290E-09 0.02908817E+06 0.09471621E+02 4 ASGAET 62987AS 1GA 1C 2H 5G 0300.00 1500.00 0600.00 1 0.09081073E+02 0.01674632E+00 0.01283130E-05-0.05590436E-07 0.01781315E-10 2 0.03807443E+06-0.09142782E+02 0.06364698E+01 0.04382467E+00 0.06144686E-04 3 -0.09491641E-06 0.07374198E-09 0.03960893E+06 0.03164673E+03 4 ASGAET2 62987AS 1GA 1C 4H 10G 0300.00 1500.00 0600.00 1 0.01032429E+03 0.03073571E+00 0.01086335E-04-0.09971949E-07 0.02945979E-10 2 0.03039490E+06-0.01316402E+03-0.03539248E+01 0.06369772E+00 0.01359742E-03 3 -0.01286142E-05 0.09572181E-09 0.03236903E+06 0.03865086E+03 4 ASGAME 62987AS 1GA 1C 1H 3G 0300.00 1500.00 0600.00 1 0.07322183E+02 0.06995479E-01 0.01069351E-05-0.01995283E-07 0.06040446E-11 2 0.03949449E+06-0.07416680E+01 0.04877266E+02 0.01482559E+00 0.01652124E-04 3 -0.02712058E-06 0.02080196E-09 0.03994071E+06 0.01107670E+03 4 ASGAME2 62987AS 1GA 1C 2H 6G 0300.00 1500.00 0600.00 1 0.09352436E+02 0.01504820E+00 0.05157975E-05-0.04553518E-07 0.01348763E-10 2 0.03735856E+06-0.01218114E+03 0.04382076E+02 0.03056345E+00 0.05477067E-04 3 -0.05834108E-06 0.04373509E-09 0.03827434E+06 0.01191111E+03 4 ASGAMEH 62987AS 1GA 1C 1H 4G 0300.00 1500.00 0600.00 1 0.07842794E+02 0.09682097E-01 0.01060306E-05-0.02991402E-07 0.09382673E-11 2 0.04435297E+06-0.05093455E+02 0.03585119E+02 0.02336317E+00 0.02873356E-04 3 -0.04737895E-06 0.03674461E-09 0.04512703E+06 0.01547160E+03 4 ASH 62987AS 1H 1 G 0300.00 1500.00 0600.00 1 0.03219848E+02 0.01001250E-01-0.04874997E-08-0.01107653E-08-0.09254321E-13 2 0.03008176E+06 0.06647311E+02 0.03865843E+02-0.01157571E-01-0.03494372E-05 3 0.07079686E-07-0.06014028E-10 0.02996829E+06 0.03549869E+02 4 ASH2 62987AS 1H 2 G 0300.00 1500.00 0600.00 1 0.03428307E+02 0.03181140E-01 0.01460484E-05-0.07937145E-08 0.01694414E-11 2 0.02010282E+06 0.02904703E+02 0.03778945E+02 0.01759233E-01 0.08070807E-05 3 0.02358763E-07-0.03043521E-10 0.02004862E+06 0.01272974E+02 4 ASH3 62987AS 1H 3 G 0300.00 1500.00 0600.00 1 0.04172022E+02 0.04371323E-01 0.02177574E-05-0.01183264E-07 0.04536374E-11 2 0.06882916E+05 0.02803477E+02 0.09446356E+01 0.01508469E+00 0.01201696E-04 3 -0.03397465E-06 0.02767656E-09 0.07459168E+05 0.01832268E+03 4 ASME 62987AS 1C 1H 3 G 0300.00 1500.00 0600.00 1 0.04657260E+02 0.06976298E-01 0.02147557E-05-0.02101159E-07 0.06082150E-11 2 0.02806423E+06 0.03409835E+02 0.02625270E+02 0.01325242E+00 0.02441628E-04 3 -0.02419567E-06 0.01786944E-09 0.02844080E+06 0.01327336E+03 4 ASME2 62987AS 1C 2H 6 G 0300.00 1500.00 0600.00 1 0.05981395E+02 0.01521284E+00 0.06993355E-05-0.04721619E-07 0.01369912E-10 2 0.01467985E+06 0.01192741E+02 0.01390400E+02 0.02923331E+00 0.06598871E-04 3 -0.05620560E-06 0.04130368E-09 0.01553302E+06 0.02349981E+03 4 ASME3 62987AS 1C 3H 9 G 0300.00 1500.00 0600.00 1 0.06347764E+02 0.02466454E+00 0.01154629E-04-0.07877436E-07 0.02202225E-10 2 -0.01617323E+05-0.06316786E+01 0.02667388E+01 0.04253171E+00 0.01165106E-03 3 -0.07914706E-06 0.05603127E-09-0.04685540E+04 0.02904591E+03 4 BE 81392BE 1 G 0300.00 5000.00 1000.00 1 0.02380618E+02 0.02339856E-02-0.01453949E-05 0.03111727E-09-0.01072959E-13 2 0.03868083E+06 0.02787792E+02 0.02403493E+02 0.06166087E-02-0.01321925E-04 3 0.01144806E-07-0.03437304E-11 0.03864894E+06 0.02549853E+02 4 BE(S) 81392BE 1 S 0300.00 3000.00 1000.00 1 0.01898768E+02 0.01629382E-01-0.03547406E-05 0.01247349E-08-0.01578507E-12 2 -0.06527011E+04-0.01020412E+03-0.09092963E+01 0.01585668E+00-0.02624182E-03 3 0.02044924E-06-0.05872448E-10-0.02390556E+04 0.02598871E+02 4 BE2SIO4(S) 81392BE 2O 4SI 1 S 0300.00 3000.00 1000.00 1 0.01695617E+03 0.06266472E-01-0.02841325E-04 0.06379149E-08-0.04780890E-12 2 -0.02614324E+07-0.09398438E+03-0.06380159E+02 0.09333352E+00-0.01415477E-02 3 0.01101948E-05-0.03462902E-09-0.02558671E+07 0.02162977E+03 4 BE3B2O6(S) 81392B 2BE 3O 6 S 0300.00 3000.00 1000.00 1 0.02640267E+03 0.01142674E+00-0.03773479E-04 0.04332047E-08 0.02356543E-12 2 -0.03849576E+07-0.01487137E+04-0.05230657E+02 0.01105769E+01-0.01614054E-02 3 0.01447797E-05-0.05420786E-09-0.03755957E+07 0.01490974E+03 4 BE3N2(A) 81392BE 3N 2 S 0300.00 3000.00 1000.00 1 0.01097008E+03 0.06416846E-01-0.02938928E-04 0.04564651E-08-0.05509703E-13 2 -0.07519767E+06-0.06231286E+03-0.08167547E+02 0.08515091E+00-0.01355569E-02 3 0.01060406E-05-0.03256815E-09-0.07110460E+06 0.03040606E+03 4 BE3N2(L) 81392BE 3N 2 L 0300.00 4000.00 1000.00 1 0.01610468E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.06338252E+06-0.08701469E+03 0.01610468E+03 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.06338252E+06-0.08701468E+03 4 BEAL2O4(S) 81392AL 2BE 1O 4 S 0300.00 2400.00 1000.00 1 0.01118219E+03 0.01677777E+00-0.06692989E-04-0.01497360E-07 0.01203700E-10 2 -0.02810337E+07-0.06116527E+03-0.07257604E+02 0.01074554E+01-0.01713422E-02 3 0.01295274E-05-0.03740965E-09-0.02780832E+07 0.02383770E+03 4 BEB2O4 81392B 2BE 1O 4 G 0300.00 5000.00 1000.00 1 0.01266018E+03 0.06883210E-01-0.02963169E-04 0.05694789E-08-0.04050458E-12 2 -0.01672990E+07-0.03636876E+03 0.04012008E+02 0.03052847E+00-0.02571938E-03 3 0.09738810E-07-0.01450712E-10-0.01648983E+07 0.08399628E+02 4 BEBO2 81392B 1BE 1O 2 G 0300.00 5000.00 1000.00 1 0.06831273E+02 0.03424464E-01-0.01471236E-04 0.02825118E-08-0.02008790E-12 2 -0.06047559E+06-0.08730609E+02 0.02426203E+02 0.01572415E+00-0.01309160E-03 3 0.04244447E-07-0.02562806E-11-0.05929016E+06 0.01394744E+03 4 BEBR 81392BE 1BR 1 G 0300.00 5000.00 1000.00 1 0.04166357E+02 0.04424462E-02-0.01713095E-05 0.03185381E-09-0.01964221E-13 2 0.01313080E+06 0.03473875E+02 0.03178756E+02 0.03144181E-01-0.01989189E-04 3 -0.04871910E-08 0.06208255E-11 0.01337870E+06 0.08520506E+02 4 BEBR2 81392BE 1BR 2 G 0300.00 5000.00 1000.00 1 0.06814040E+02 0.07848450E-02-0.03497501E-05 0.06885841E-09-0.04984129E-13 2 -0.02974764E+06-0.06362110E+02 0.05216331E+02 0.05128972E-01-0.03678726E-04 3 0.08525872E-09 0.05611721E-11-0.02932967E+06 0.01847829E+02 4 BEBR2(S) 81392BE 1BR 2 S 0300.00 1500.00 1000.00 1 0.07680161E+02 0.03193456E-01-0.02439097E-05-0.09487536E-08 0.03902210E-11 2 -0.04528092E+06-0.03282152E+03 0.05659917E+02 0.08805599E-01-0.02790316E-04 3 -0.04611400E-07 0.03007373E-10-0.04482571E+06-0.02263852E+03 4 BECL 81392BE 1CL 1 G 0300.00 5000.00 1000.00 1 0.04072243E+02 0.05328307E-02-0.02146892E-05 0.04097687E-09-0.02774848E-13 2 0.05990792E+05 0.02639872E+02 0.03006275E+02 0.03385550E-01-0.02274674E-04 3 -0.01333438E-08 0.04447782E-11 0.06271131E+05 0.08126810E+02 4 BECL2 81392BE 1CL 2 G 0300.00 5000.00 1000.00 1 0.06656109E+02 0.09583935E-02-0.04248637E-05 0.08333911E-09-0.06016211E-13 2 -0.04547842E+06-0.08159565E+02 0.04835084E+02 0.05899051E-01-0.04307799E-04 3 0.03113267E-08 0.05292957E-11-0.04499748E+06 0.01210616E+02 4 BECL2(A) 81392BE 1CL 2 S 0300.00 1500.00 1000.00 1 0.08380054E+02 0.02572312E-01-0.07554892E-05-0.02368242E-08 0.01042547E-11 2 -0.06177281E+06-0.03886076E+03 0.08074927E+01 0.03830225E+00-0.06255340E-03 3 0.04645940E-06-0.01295143E-09-0.06052883E+06-0.03683825E+02 4 BECL2(B) 81392BE 1CL 2 S 0300.00 1500.00 1000.00 1 0.07791771E+02 0.02945389E-01-0.04237093E-05-0.05339604E-08 0.01505044E-11 2 -0.06231958E+06-0.03656698E+03 0.03004424E+02 0.02353211E+00-0.03553037E-03 3 0.02706855E-06-0.08144728E-10-0.06136495E+06-0.01365758E+03 4 BECLF 81392BE 1CL 1F 1 G 0300.00 5000.00 1000.00 1 0.06393787E+02 0.01234948E-01-0.05412476E-05 0.01053150E-08-0.07557553E-13 2 -0.07104831E+06-0.07478512E+02 0.04405415E+02 0.06642228E-01-0.05154354E-04 3 0.01063175E-07 0.02287810E-11-0.07051262E+06 0.02777586E+02 4 BEF 81392BE 1F 1 G 0300.00 5000.00 1000.00 1 0.03741370E+02 0.08524818E-02-0.03436428E-05 0.06466099E-09-0.04475089E-13 2 -0.02167667E+06 0.02968223E+02 0.02905108E+02 0.02952099E-01-0.02747617E-04 3 0.01918800E-07-0.07179964E-11-0.02140972E+06 0.07407617E+02 4 BEF2 81392BE 1F 2 G 0300.00 5000.00 1000.00 1 0.06008875E+02 0.01636431E-01-0.07094651E-05 0.01370220E-08-0.09780462E-13 2 -0.09777056E+06-0.07723693E+02 0.03801759E+02 0.07737988E-01-0.06427724E-04 3 0.02097328E-07-0.01462695E-11-0.09717092E+06 0.03660784E+02 4 BEF2(L) 81392BE 1F 2 L 0300.00 2000.00 1000.00 1 0.05976585E+02 0.04777009E-01-0.05064131E-05 0.05012404E-09 0.08570416E-13 2 -0.01251277E+07-0.02873833E+03-0.05587355E+01 0.03423905E+00-0.05210078E-03 3 0.04099400E-06-0.01226767E-09-0.01239060E+07 0.02162308E+02 4 BEH 81392BE 1H 1 G 0300.00 5000.00 1000.00 1 0.03103757E+02 0.01443026E-01-0.05486383E-05 0.09992518E-09-0.06823073E-13 2 0.03762032E+06 0.03113887E+02 0.03220220E+02 0.01660638E-01-0.03759811E-04 3 0.05403578E-07-0.02433378E-10 0.03762484E+06 0.02536116E+02 4 BEH+ 81392BE 1H 1E -1 G 0300.00 5000.00 1000.00 1 0.02935026E+02 0.01642881E-01-0.06606950E-05 0.01253854E-08-0.08322438E-13 2 0.01381605E+07 0.03342443E+02 0.03203174E+02 0.01918095E-01-0.04743515E-04 3 0.06392785E-07-0.02736265E-10 0.01380944E+07 0.01849186E+02 4 BEH2 81392BE 1H 2 G 0300.00 5000.00 1000.00 1 0.03274395E+02 0.04312822E-01-0.01774785E-04 0.03298131E-08-0.02286391E-12 2 0.01367913E+06 0.03758700E+01 0.01761472E+02 0.08827701E-01-0.01241923E-03 3 0.01412574E-06-0.06176309E-10 0.01426447E+06 0.08573833E+02 4 BEH2O2 81392BE 1H 2O 2 G 0300.00 5000.00 1000.00 1 0.07694718E+02 0.04893975E-01-0.01780895E-04 0.03055611E-08-0.02009121E-12 2 -0.08403520E+06-0.01751820E+03 0.03118833E+02 0.01997183E+00-0.01673101E-03 3 0.03275766E-07 0.01457848E-10-0.08305301E+06 0.05128545E+02 4 BEH2O2(A) 81392BE 1H 2O 2 S 0300.00 1000.00 1000.00 1 0.01357669E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01138925E+07-0.07369071E+03-0.07121292E+02 0.08378375E+00-0.01435144E-02 3 0.01164084E-05-0.03597983E-09-0.01091544E+07 0.02745148E+03 4 BEH2O2(B) 81392BE 1H 2O 2 S 0300.00 1000.00 1000.00 1 0.01357669E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01142447E+07-0.07409333E+03-0.07121292E+02 0.08378375E+00-0.01435144E-02 3 0.01164084E-05-0.03597983E-09-0.01095066E+07 0.02704887E+03 4 BEI 81392BE 1I 1 G 0300.00 5000.00 1000.00 1 0.04226574E+02 0.03948427E-02-0.01549696E-05 0.03023851E-09-0.01932301E-13 2 0.01912832E+06 0.04229493E+02 0.03358791E+02 0.02864276E-01-0.01889889E-04 3 -0.04370942E-08 0.05986692E-11 0.01933641E+06 0.08627578E+02 4 BEI2 81392BE 1I 2 G 0300.00 5000.00 1000.00 1 0.06974217E+02 0.06094573E-02-0.02739783E-05 0.05428767E-09-0.03948833E-13 2 -0.09890086E+05-0.05063732E+02 0.05564008E+02 0.04472664E-01-0.03090745E-04 3 -0.02609722E-08 0.06750777E-11-0.09529549E+05 0.02158152E+02 4 BEI2(S) 81392BE 1I 2 S 0300.00 1500.00 1000.00 1 0.08868316E+02 0.02591978E-01-0.07796846E-05-0.02236952E-08 0.01016032E-11 2 -0.02556556E+06-0.03709859E+03 0.01301872E+02 0.03830115E+00-0.06255080E-03 3 0.04645675E-06-0.01295046E-09-0.02432303E+06-0.01952190E+02 4 BEN 81392BE 1N 1 G 0300.00 5000.00 1000.00 1 0.03799137E+02 0.08135072E-02-0.03271826E-05 0.06267597E-09-0.04443547E-13 2 0.05006582E+06 0.03013958E+02 0.02880282E+02 0.03157848E-01-0.02749300E-04 3 0.01549304E-07-0.04944407E-11 0.05034622E+06 0.07854857E+02 4 BEO(A) 81392BE 1O 1 S 0300.00 3500.00 1000.00 1 0.04606101E+02 0.01465013E-01-0.09316989E-06-0.08839902E-09 0.01840163E-12 2 -0.07492927E+06-0.02579358E+03-0.01187545E+01 0.01231168E+00-0.02298405E-04 3 -0.09318502E-07 0.05331928E-10-0.07364786E+06-0.01151163E+02 4 BEO(B) 81392BE 1O 1 S 0300.00 3500.00 1000.00 1 0.04606101E+02 0.01465013E-01-0.09316989E-06-0.08839902E-09 0.01840163E-12 2 -0.07412403E+06-0.02545418E+03-0.01187545E+01 0.01231168E+00-0.02298405E-04 3 -0.09318502E-07 0.05331928E-10-0.07284262E+06-0.08117651E+01 4 BEOH 81392BE 1H 1O 1 G 0300.00 5000.00 1000.00 1 0.04580703E+02 0.02444079E-01-0.08794693E-05 0.01484750E-08-0.09530468E-13 2 -0.01534682E+06-0.01819725E+02 0.02577868E+02 0.08977628E-01-0.07867956E-04 3 0.02536139E-07 0.06057864E-12-0.01489220E+06 0.08162645E+02 4 BES(S) 81392BE 1S 1 S 0300.00 3000.00 1000.00 1 0.04944107E+02 0.03098929E-01-0.01308985E-04 0.02564670E-08-0.01377673E-12 2 -0.03004408E+06-0.02521191E+03-0.03045166E+02 0.03934537E+00-0.06572406E-03 3 0.05230436E-06-0.01590377E-09-0.02854032E+06 0.01256033E+03 4 BESO4(A) 81392BE 1O 4S 1 S 0300.00 2300.00 1000.00 1 0.02081235E+01 0.03035540E+00-0.07769396E-04-0.02942517E-07 0.01112249E-10 2 -0.01455278E+07 0.02609183E+01-0.08960041E+02 0.01179726E+01-0.02438390E-02 3 0.02430177E-05-0.08722741E-09-0.01453005E+07 0.03410812E+03 4 BESO4(B) 81392BE 1O 4S 1 S 0300.00 2300.00 1000.00 1 0.02081235E+01 0.03035540E+00-0.07769396E-04-0.02942517E-07 0.01112249E-10 2 -0.01453939E+07 0.04157230E+01-0.08960041E+02 0.01179726E+01-0.02438390E-02 3 0.02430177E-05-0.08722741E-09-0.01451667E+07 0.03426292E+03 4 BESO4(GAM) 81392BE 1O 4S 1 S 0300.00 2300.00 1000.00 1 0.02081235E+01 0.03035540E+00-0.07769396E-04-0.02942517E-07 0.01112249E-10 2 -0.01430422E+07 0.03005051E+02-0.08960041E+02 0.01179726E+01-0.02438390E-02 3 0.02430177E-05-0.08722741E-09-0.01428148E+07 0.03685225E+03 4 C 121086C 1 G 0300.00 5000.00 1000.00 1 0.02602087E+02-0.01787081E-02 0.09087041E-06-0.01149933E-09 0.03310844E-14 2 0.08542154E+06 0.04195177E+02 0.02498585E+02 0.08085777E-03-0.02697697E-05 3 0.03040729E-08-0.01106652E-11 0.08545878E+06 0.04753459E+02 4 C(S) 121286C 1 S 0300.00 5000.00 1000.00 1 0.01490166E+02 0.01662126E-01-0.06687204E-05 0.01290880E-08-0.09205334E-13 2 -0.07074019E+04-0.08717785E+02-0.06705661E+01 0.07181500E-01-0.05632921E-04 3 0.02142299E-07-0.04168562E-11-0.07339498E+03 0.02601596E+02 4 C+ 120186C 1E -1 G 0300.00 5000.00 1000.00 1 0.02511827E+02-0.01735978E-03 0.09504268E-07-0.02218852E-10 0.01862189E-14 2 0.02166772E+07 0.04286130E+02 0.02595384E+02-0.04068665E-02 0.06892367E-05 3 -0.05266488E-08 0.01508338E-11 0.02166628E+07 0.03895730E+02 4 C- 121686C 1E 1 G 0300.00 5000.00 1000.00 1 0.02990221E+02-0.09184596E-02 0.05055560E-05-0.07703410E-09 0.03163271E-13 2 0.06983931E+06 0.01259453E+02 0.02783903E+02-0.01774288E-01 0.03696761E-04 3 -0.03066693E-07 0.08637622E-11 0.06998511E+06 0.02726281E+02 4 C2 121286C 2 G 0300.00 5000.00 1000.00 1 0.04135979E+02 0.06531618E-03 0.01837099E-05-0.05295085E-09 0.04712137E-13 2 0.09967272E+06 0.07472923E+01 0.06996045E+02-0.07400602E-01 0.03234704E-04 3 0.04802535E-07-0.03295918E-10 0.09897487E+06-0.01386227E+03 4 C2- 121286C 2E 1 G 0300.00 5000.00 1000.00 1 0.03796891E+02 0.02530050E-02 0.09709118E-06-0.01614804E-09-0.03212893E-15 2 0.05207981E+06 0.01658147E+02 0.03468012E+02-0.02352875E-02 0.01243912E-04 3 0.04705961E-08-0.08164274E-11 0.05231215E+06 0.03886699E+02 4 C2CL3 40992C 2CL 3 G 0300.00 4000.00 1500.00 1 0.01183853E+03 0.09460851E-02-0.02920870E-05 0.03847024E-09-0.01539560E-13 2 0.02313143E+06-0.02891445E+03 0.04808647E+02 0.02212948E+00-0.02548847E-03 3 0.01372083E-06-0.02812663E-10 0.02514353E+06 0.07232629E+02 4 C2CL5 40992C 2CL 5 G 0300.00 4000.00 1500.00 1 0.01775107E+03 0.09220800E-02-0.04852694E-05 0.01190373E-08-0.01100446E-12 2 -0.02402768E+05-0.05545676E+03 0.06414346E+02 0.03867367E+00-0.04857935E-03 3 0.02734513E-06-0.05732891E-10 0.04697039E+04 0.01542036E+02 4 C2CL6 40992C 2CL 6 G 0300.00 4000.00 1500.00 1 0.02021422E+03 0.01757648E-01-0.05881040E-05 0.08029739E-09-0.03958238E-13 2 -0.02340156E+06-0.07096011E+03 0.07492710E+02 0.04318468E+00-0.05275048E-03 3 0.02947143E-06-0.06176554E-10-0.02006555E+06-0.06635582E+02 4 C2F6 82489C 2F 6 G 0300.00 5000.00 1000.00 1 0.01602057E+03 0.06273007E-01-0.02797778E-04 0.05517547E-08-0.04004651E-12 2 -0.01675654E+07-0.05519459E+03 0.03577448E+02 0.03913670E+00-0.02714862E-03 3 0.04348459E-08 0.04007135E-10-0.01642174E+07 0.09098384E+02 4 C2H 81193C 2H 1 G 0300.00 4000.00 1000.00 1 0.03986367E+02 0.03143123E-01-0.01267243E-04 0.02924363E-08-0.02716320E-12 2 0.06655884E+06 0.01191063E+02 0.02737704E+02 0.08048446E-01-0.09244310E-04 3 0.06525259E-07-0.01939580E-10 0.06683813E+06 0.07300220E+02 4 C2H2 121386C 2H 2 G 0300.00 5000.00 1000.00 1 0.04436770E+02 0.05376039E-01-0.01912817E-04 0.03286379E-08-0.02156710E-12 2 0.02566766E+06-0.02800338E+02 0.02013562E+02 0.01519045E+00-0.01616319E-03 3 0.09078992E-07-0.01912746E-10 0.02612444E+06 0.08805378E+02 4 C2H3 MAR94C 2H 3 G 0300.00 5000.00 1671.00 1 3.96047713E+00 7.99426013E-03-2.85608087E-06 4.58350813E-10-2.72570140E-14 2 3.35153544E+04 2.25663414E+00 2.73925942E+00 7.03011591E-03 2.36647299E-06 3 -3.59569737E-09 8.91756491E-13 3.42868979E+04 1.01531535E+01 4 C2H4 121286C 2H 4 G 0300.00 5000.00 1000.00 1 0.03528419E+02 0.01148518E+00-0.04418385E-04 0.07844601E-08-0.05266848E-12 2 0.04428289E+05 0.02230389E+02-0.08614880E+01 0.02796163E+00-0.03388677E-03 3 0.02785152E-06-0.09737879E-10 0.05573046E+05 0.02421149E+03 4 C2H5 JPC93 C 2H 5 0 0G 300.000 5000.000 1375.000 1 5.60116091E+00 1.06977081E-02-3.63504780E-06 5.61816654E-10-3.24914714E-14 2 1.14539845E+04-7.02252408E+00 1.47374852E+00 1.63606611E-02-4.32896826E-06 3 -1.17270665E-09 5.72325883E-13 1.33326992E+04 1.66349852E+01 4 C2H6 121686C 2H 6 G 0300.00 4000.00 1000.00 1 0.04825938E+02 0.01384043E+00-0.04557259E-04 0.06724967E-08-0.03598161E-12 2 -0.01271779E+06-0.05239507E+02 0.01462539E+02 0.01549467E+00 0.05780507E-04 3 -0.01257832E-06 0.04586267E-10-0.01123918E+06 0.01443229E+03 4 C2HCL 112989C 2H 1CL 1 G 0300.00 5000.00 1000.00 1 0.06295372E+02 0.03883113E-01-0.01506049E-04 0.02700003E-08-0.01830213E-12 2 0.02357279E+06-0.08137063E+02 0.03618443E+02 0.01331979E+00-0.01321822E-03 3 0.06092024E-07-0.08879026E-11 0.02415385E+06 0.05050645E+02 4 C2HCL5 40992H 1C 2CL 5 G 0300.00 4000.00 1500.00 1 0.01897802E+03 0.02244275E-01-0.05864788E-05 0.02733950E-09 0.04934135E-13 2 -0.02494887E+06-0.06578714E+03 0.05356044E+02 0.04176390E+00-0.04710787E-03 3 0.02550758E-06-0.05324478E-10-0.02079330E+06 0.04970258E+02 4 C2N 121286C 2N 1 G 0300.00 5000.00 1000.00 1 0.06151561E+02 0.01511650E-01-0.06629362E-05 0.01286148E-08-0.09160830E-13 2 0.06484318E+06-0.08177850E+02 0.03498544E+02 0.08554433E-01-0.06288697E-04 3 0.08638478E-08 0.04915996E-11 0.06556611E+06 0.05548374E+02 4 C2N2 121286C 2N 2 G 0300.00 5000.00 1000.00 1 0.06548003E+02 0.03984707E-01-0.01634216E-04 0.03038597E-08-0.02111069E-12 2 0.03490716E+06-0.09735790E+02 0.04265459E+02 0.01192257E+00-0.01342014E-03 3 0.09192297E-07-0.02778942E-10 0.03547888E+06 0.01713212E+02 4 C2O 121286C 2O 1 G 0300.00 5000.00 1000.00 1 0.04849809E+02 0.02947585E-01-0.01090729E-04 0.01792562E-08-0.01115758E-12 2 0.03282055E+06-0.06453226E+01 0.03368851E+02 0.08241803E-01-0.08765145E-04 3 0.05569262E-07-0.01540009E-10 0.03317081E+06 0.06713314E+02 4 C3 121286C 3 G 0300.00 5000.00 1000.00 1 0.03803710E+02 0.02253567E-01-0.07704535E-05 0.01316294E-08-0.08694264E-13 2 0.09736135E+06 0.06128063E+02 0.04345528E+02 0.01264466E-01-0.04652557E-04 3 0.08695856E-07-0.04243536E-10 0.09731403E+06 0.03519437E+02 4 C3H2 102193H 2C 3 G 0150.00 4000.00 1000.00 1 0.07670981E+02 0.02748749E-01-0.04370943E-05-0.06455599E-09 0.01663887E-12 2 0.06259722E+06-0.01236890E+03 0.03166714E+02 0.02482572E+00-0.04591637E-03 3 0.04268019E-06-0.01482152E-09 0.06350421E+06 0.08869446E+02 4 C3H2(S) 101993H 2C 3 G 0300.00 4000.00 1400.00 1 0.08351312E+02 0.02672278E-01-0.02129404E-05-0.01478218E-08 0.02583689E-12 2 0.06800690E+06-0.01950884E+03 0.04749475E+02 0.08520229E-01-0.01160268E-04 3 -0.02494954E-07 0.09921004E-11 0.06939979E+06 0.05437792E+01 4 AC3H4 101993H 4C 3 G 0300.00 4000.00 1400.00 1 0.09776256E+02 0.05302138E-01-0.03701118E-05-0.03026386E-08 0.05089581E-12 2 0.01954972E+06-0.03077061E+03 0.02539831E+02 0.01633437E+00-0.01764950E-04 3 -0.04647365E-07 0.01729131E-10 0.02251243E+06 0.09935702E+02 4 C3H4C 101993H 4C 3 G 0300.00 4000.00 1400.00 1 0.09708652E+02 0.05344939E-01-0.03953553E-05-0.03111764E-08 0.05369406E-12 2 0.02967722E+06-0.03073273E+03 0.01056162E+02 0.01905236E+00-0.02317048E-04 3 -0.05933690E-07 0.02307128E-10 0.03309110E+06 0.01761927E+03 4 PC3H4 101993H 4C 3 G 0300.00 4000.00 1400.00 1 0.09768102E+02 0.05219151E-01-0.03753140E-05-0.02992191E-08 0.05107878E-12 2 0.01860277E+06-0.03020678E+03 0.03029730E+02 0.01498961E+00-0.01398500E-04 3 -0.03969619E-07 0.01388217E-10 0.02148408E+06 0.08004594E+02 4 C3H6 120186C 3H 6 G 0300.00 5000.00 1000.00 1 0.06732257E+02 0.01490834E+00-0.04949899E-04 0.07212022E-08-0.03766204E-12 2 -0.09235703E+04-0.01331335E+03 0.01493307E+02 0.02092518E+00 0.04486794E-04 3 -0.01668912E-06 0.07158146E-10 0.01074826E+05 0.01614534E+03 4 C3H8 120186C 3H 8 G 0300.00 5000.00 1000.00 1 0.07525217E+02 0.01889034E+00-0.06283924E-04 0.09179373E-08-0.04812410E-12 2 -0.01646455E+06-0.01784390E+03 0.08969208E+01 0.02668986E+00 0.05431425E-04 3 -0.02126001E-06 0.09243330E-10-0.01395492E+06 0.01935533E+03 4 C3O2 121286C 3O 2 G 0300.00 5000.00 1000.00 1 0.08098897E+02 0.05560040E-01-0.02312265E-04 0.04340709E-08-0.03036387E-12 2 -0.01421435E+06-0.01521974E+03 0.04018127E+02 0.01836661E+00-0.01907148E-03 3 0.01185587E-06-0.03418748E-10-0.01312824E+06 0.05582084E+02 4 C4 121286C 4 G 0300.00 5000.00 1000.00 1 0.06500180E+02 0.04228632E-01-0.01790718E-04 0.03404813E-08-0.02403978E-12 2 0.01143401E+07-0.01148889E+03 0.02343028E+02 0.01642981E+00-0.01527986E-03 3 0.07343826E-07-0.01582274E-10 0.01154538E+07 0.09826204E+02 4 C4H 121686C 4H 1 G 0300.00 5000.00 1000.00 1 0.06242882E+02 0.06193683E-01-0.02085932E-04 0.03082203E-08-0.01636483E-12 2 0.07568019E+06-0.07210806E+02 0.05023247E+02 0.07092375E-01-0.06073762E-07 3 -0.02275752E-07 0.08086994E-11 0.07623813E+06-0.06942594E+00 4 C4H10 62090C 4H 10 G 0300.00 4000.00 1500.00 1 0.01998785E+03 0.01037281E+00-0.09610818E-05-0.04623018E-08 0.08202828E-12 2 -0.02625571E+06-0.08837907E+03-0.02256618E+02 0.05881732E+00-0.04525783E-03 3 0.02037115E-06-0.04079458E-10-0.01760233E+06 0.03329595E+03 4 C4H2 121686C 4H 2 G 0300.00 5000.00 1000.00 1 0.09031407E+02 0.06047253E-01-0.01948789E-04 0.02754863E-08-0.01385608E-12 2 0.05294736E+06-0.02385068E+03 0.04005192E+02 0.01981000E+00-0.09865877E-04 3 -0.06635158E-07 0.06077413E-10 0.05424065E+06 0.01845737E+02 4 C4H6 120186C 4H 6 G 0300.00 5000.00 1000.00 1 0.08046583E+02 0.01648525E+00-0.05522227E-04 0.08123593E-08-0.04295078E-12 2 0.01370130E+06-0.01800458E+03 0.03197108E+02 0.02025592E+00 0.06510192E-04 3 -0.01658442E-06 0.06400282E-10 0.01571520E+06 0.09895660E+02 4 C4H6-13 RANZI C 4H 6 G 0300.00 5000.00 1000 1 12.54437 9.5965248E-03 -9.1870118E-07 -5.4296401E-10 1.0053640E-13 2 8597.332 -42.17450 1.931624 2.4790300E-02 3.0180711E-06 3 -1.1546860E-08 2.5866230E-12 12554.68 17.01999 4 BC4H7 C7=IC4H7 THERMC 4H 7 0 0G 300.000 5000.000 1393.000 1 1.16382753E+01 1.57681299E-02-5.38538858E-06 8.35172927E-10-4.84141083E-14 2 1.05471642E+04-3.90259890E+01-7.20881697E-04 4.36495730E-02-3.16385877E-05 3 1.23984983E-08-2.04378360E-12 1.45717785E+04 2.33234340E+01 4 NC4H7 C7=C4H7 C 4H 7 0 0G 300.000 5000.000 1392.00 1 1.12103578E+01 1.60483196E-02-5.46502292E-06 8.45941053E-10-4.89772739E-14 2 1.09041937E+04-3.55593015E+01-3.50508352E-01 4.26511243E-02-2.90979373E-05 3 1.05403914E-08-1.60059854E-12 1.49933591E+04 2.67295696E+01 4 C4H8 120386C 4H 8 G 0300.00 5000.00 1000.00 1 0.02053584E+02 0.03435051E+00-0.01588320E-03 0.03308966E-07-0.02536104E-11 2 -0.02139723E+05 0.01554320E+03 0.01181138E+02 0.03085338E+00 0.05086525E-04 3 -0.02465489E-06 0.01111019E-09-0.01790400E+05 0.02106247E+03 4 IC4H8 5/27/97 THERMC 4H 8 0 0G 300.000 5000.000 1388.000 1 1.12258330E+01 1.81795798E-02-6.20348592E-06 9.61444458E-10-5.57088057E-14 2 -7.69983777E+03-3.73306704E+01 9.38433173E-01 3.90547287E-02-2.16437148E-05 3 5.87267077E-09-6.14435479E-13-3.74817891E+03 1.91442985E+01 4 I-C8H18 RANZI C 8H 18 G 0300.00 5000.00 1388.00 1 .17556581E+02 0.49924288E-01 -.17202017E-04 .27551890E-08 -.16941933E-12 2 -.36369008E+05 -.67112610E+02 -.20321865E+01 .94684526E-01 -.35743305E-04 3 -.16594676E-07 .12534632E-10 -.30683273E+05 .35986145E+02 4 C4H9-1 RANZI C 4H 9 G 0300.00 5000.00 1388.00 1 2.859272 3.3909347E-02 -1.2963489E-05 1.6248736E-09 0.0000000E+00 2 6441.319 13.67653 0.3610272 4.4656090E-02 -2.6962240E-05 3 7.3751258E-09 0.0000000E+00 6794.879 25.26968 4 C5 121286C 5 G 0300.00 5000.00 1000.00 1 0.08078081E+02 0.05743464E-01-0.02436405E-04 0.04638916E-08-0.03278910E-12 2 0.01147022E+07-0.01953024E+03 0.02115274E+02 0.02326332E+00-0.02109499E-03 3 0.09072734E-07-0.01540093E-10 0.01162738E+07 0.01097603E+03 4 C5H 20387C 5H 1 G 0300.00 5000.00 1000.00 1 0.08695749E+02 0.06054301E-01-0.02016011E-04 0.02892893E-08-0.01470100E-12 2 0.09031069E+06-0.02101595E+03 0.01634825E+02 0.02509538E+00-0.01206636E-03 3 -0.01046511E-06 0.08809988E-10 0.09212488E+06 0.01512194E+03 4 NC5H12 20387C 5H 12 G 0300.00 4000.00 1000.00 1 0.01667798E+03 0.02114483E+00-0.03533321E-04-0.05742202E-08 0.01515948E-11 2 -0.02553670E+06-0.06372940E+03 0.01877908E+02 0.04121646E+00 0.01253234E-03 3 -0.03701537E-06 0.01525569E-09-0.02003816E+06 0.01877257E+03 4 C5H2 20587C 5H 2 G 0300.00 5000.00 1000.00 1 0.01132917E+03 0.07424057E-01-0.02628189E-04 0.04082541E-08-0.02301333E-12 2 0.07878706E+06-0.03617117E+03 0.03062322E+02 0.02709998E+00-0.01009170E-03 3 -0.01272745E-06 0.09167219E-10 0.08114969E+06 0.07071078E+02 4 C-C5H5 MAR96C 5H 5 G 0300.00 4000.00 1403.00 1 1.29044479E 01 1.26989021E-02-4.35726839E-06 6.78034680E-10-3.94047039E-14 2 2.59665811E 04-4.89414326E 01-4.48313342E 00 6.14978772E-02-5.77725922E-05 3 2.73308264E-08-5.08259162E-12 3.11707706E 04 4.15116727E 01 4 C-C5H6 20387C 5H 6 G 0300.00 5000.00 1000.00 1 0.09689815E+02 0.01838262E+00-0.06264884E-04 0.09393377E-08-0.05087708E-12 2 0.01102124E+06-0.03122908E+03-0.03196739E+02 0.04081361E+00 0.06816505E-05 3 -0.03137459E-06 0.01577223E-09 0.01529068E+06 0.03869939E+03 4 C6H 121686C 6H 1 G 0300.00 5000.00 1000.00 1 0.01158735E+03 0.07295363E-01-0.02466008E-04 0.03407046E-08-0.01498185E-12 2 0.01031448E+07-0.03172578E+03 0.04769848E+02 0.02457279E+00-0.07561252E-04 3 -0.01480691E-06 0.09768054E-10 0.01048523E+07 0.03241530E+02 4 C6H14 20387C 6H 14 G 0300.00 4000.00 1000.00 1 0.02280472E+03 0.02097989E+00-0.03530674E-04-0.05466245E-08 0.01478950E-11 2 -0.03073757E+06-0.09583162E+03 0.01836174E+02 0.05098461E+00 0.01259586E-03 3 -0.04428362E-06 0.01872237E-09-0.02292750E+06 0.02088145E+03 4 C6H2 121686C 6H 2 G 0300.00 5000.00 1000.00 1 0.01275652E+03 0.08034381E-01-0.02618215E-04 0.03725060E-08-0.01878851E-12 2 0.08075469E+06-0.04041263E+03 0.05751085E+02 0.02636720E+00-0.01166760E-03 3 -0.01071450E-06 0.08790297E-10 0.08262013E+06-0.04335532E+02 4 C6H3 20387C 6H 3 G 0300.00 5000.00 1000.00 1 0.01276118E+03 0.01038557E+00-0.03479193E-04 0.05109733E-08-0.02690965E-12 2 0.07477706E+06-0.03891745E+03 0.05007090E+02 0.02692852E+00-0.05919866E-04 3 -0.01527233E-06 0.09408310E-10 0.07713200E+06 0.02225621E+02 4 C6H4 MAR96C 6H 4 0G 300.00 5000.00 1394.00 1 1.23472984E 01 1.35855995E-02-5.46730475E-06 9.84917991E-10-6.32706601E-14 2 4.77561443E 04-4.33617477E 01-3.23735221E 00 5.57844759E-02-4.97810630E-05 3 2.22154001E-08-3.93993991E-12 5.25322589E 04 3.81904081E 01 4 C6H11 2/14/95 C 6H 11 0 0G 300.000 5000.000 1388.00 1 1.73781063E+01 2.52715626E-02-8.74710351E-06 1.36884407E-09-7.98569285E-14 2 1.33730775E+03-6.77269441E+01-1.78981302E+00 6.71660911E-02-4.34180588E-05 3 1.43931014E-08-1.96953043E-12 8.35230470E+03 3.63570478E+01 4 C6H5(L) 82489C 6H 5 G 0300.00 4000.00 1000.00 1 0.01721540E+03 0.08621068E-01-0.08221340E-05-0.04752164E-08 0.08844086E-12 2 0.06385819E+06-0.06139128E+03 0.04854269E+02 0.03031659E+00 0.01742893E-05 3 -0.01811010E-06 0.07392511E-10 0.06798734E+06 0.05854935E+02 4 C6H5O 82489C 6H 5O 1 G 0300.00 4000.00 1000.00 1 0.01822639E+03 0.01003985E+00-0.09915668E-05-0.05672804E-08 0.01068372E-11 2 -0.02620846E+05-0.07361391E+03 0.01107497E+02 0.03956946E+00 0.08497295E-05 3 -0.02436311E-06 0.09650660E-10 0.03159672E+05 0.01973496E+03 4 C6H5OH 82489C 6H 6O 1 G 0300.00 4000.00 1000.00 1 0.01821633E+03 0.01142427E+00-0.01096684E-04-0.06427442E-08 0.01198893E-11 2 -0.02053664E+06-0.07304234E+03 0.01391456E+02 0.03931958E+00 0.01777096E-04 3 -0.02277673E-06 0.08309659E-10-0.01472181E+06 0.01917813E+03 4 C6H6 20387C 6H 6 G 0300.00 5000.00 1000.00 1 0.01291074E+03 0.01723297E+00-0.05024211E-04 0.05893497E-08-0.01947521E-12 2 0.03664512E+05-0.05002699E+03-0.03138012E+02 0.04723103E+00-0.02962208E-04 3 -0.03262819E-06 0.01718692E-09 0.08890031E+05 0.03657573E+03 4 C6H7 82489C 6H 7 G 0300.00 4000.00 1000.00 1 0.01755221E+03 0.01227080E+00-0.01185742E-04-0.06959661E-08 0.01301326E-11 2 0.01624581E+06-0.07166589E+03 0.04639166E+01 0.03975928E+00 0.02529095E-04 3 -0.02223792E-06 0.07557053E-10 0.02225169E+06 0.02235387E+03 4 C8H 121686C 8H 1 G 0300.00 5000.00 1000.00 1 0.01474991E+03 0.09931501E-01-0.03374841E-04 0.04687593E-08-0.02073536E-12 2 0.01399448E+07-0.04892690E+03 0.04489508E+02 0.03521521E+00-0.01019390E-03 3 -0.02197025E-06 0.01421416E-09 0.01425992E+07 0.03996225E+02 4 C8H2 121686C 8H 2 G 0300.00 5000.00 1000.00 1 0.01568021E+03 0.01115461E+00-0.03724373E-04 0.05197891E-08-0.02375550E-12 2 0.01081123E+07-0.05571437E+03 0.04630427E+02 0.03937080E+00-0.01148035E-03 3 -0.02562214E-06 0.01670791E-09 0.01108285E+07 0.08077425E+01 4 CA 80792CA 1 G 0300.00 5000.00 1000.00 1 0.01636990E+02 0.01938281E-01-0.01464011E-04 0.04278257E-08-0.03581686E-12 2 0.02109799E+06 0.08990615E+02 0.01563120E+02 0.06228361E-01-0.01415732E-03 3 0.01323968E-06-0.04370569E-10 0.02092191E+06 0.08370537E+02 4 CA(A) 81092CA 1 S 0300.00 1500.00 1000.00 1 0.03344424E+02-0.06129555E-04-0.02048549E-05 0.02199575E-08-0.06498067E-12 2 -0.01020624E+05-0.01410880E+03 0.02492826E+02 0.03921280E-01-0.07242436E-04 3 0.05919276E-07-0.01802531E-10-0.08641901E+04-0.01010018E+03 4 CA(B) 81092CA 1 S 0300.00 2000.00 1000.00 1 0.02149662E+02 0.02293734E-01 0.03948384E-05-0.01813978E-08 0.03060995E-12 2 -0.06970589E+04-0.07862350E+02 0.02013343E+02 0.02718935E-01-0.01374494E-05 3 0.01528553E-08-0.06023681E-12-0.06613041E+04-0.07168449E+02 4 CA(L) 81092CA 1 L 0300.00 3000.00 1000.00 1 0.03623553E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.02310016E+04-0.01455354E+03 0.03623553E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.02310016E+04-0.01455354E+03 4 CA+ 80792CA 1E -1 G 0300.00 5000.00 1000.00 1 0.02415423E+02 0.03140053E-02-0.03458031E-05 0.01350163E-08-0.01342160E-12 2 0.09252434E+06 0.05468189E+02 0.02276338E+02 0.01581988E-01-0.03878953E-04 3 0.03953701E-07-0.01427856E-10 0.09253536E+06 0.06008258E+02 4 CA2 80792CA 2 G 0300.00 5000.00 1000.00 1 0.04174798E+02-0.07401838E-02 0.03131196E-05-0.05885577E-09 0.04296578E-13 2 0.04052221E+06 0.07582380E+02 0.05604867E+02-0.04044408E-01 0.02454638E-04 3 -0.01495064E-08-0.01724184E-11 0.04008842E+06 0.01167234E+00 4 CABR 80792BR 1CA 1 G 0300.00 5000.00 1000.00 1 0.04312008E+02 0.04246804E-02-0.02536360E-05 0.07082421E-09-0.05508239E-13 2 -0.07242509E+05 0.05721414E+02 0.04004020E+02 0.01927770E-01-0.02749388E-04 3 0.01785012E-07-0.04190442E-11-0.07199987E+05 0.07125700E+02 4 CABR2 80792BR 2CA 1 G 0300.00 5000.00 1000.00 1 0.07388434E+02 0.01393017E-02-0.06561619E-06 0.01342748E-09-0.09993272E-14 2 -0.04852787E+06-0.04337760E+02 0.06902053E+02 0.01599316E-01-0.01154723E-04 3 -0.02428795E-08 0.03707822E-11-0.04841873E+06-0.01900929E+02 4 CABR2(S) 81292BR 2CA 1 S 0300.00 1500.00 1000.00 1 0.01076200E+03-0.02979247E-01 0.06950511E-05 0.03569778E-07-0.01382224E-10 2 -0.08542235E+06-0.04524895E+03 0.05478536E+02 0.02209325E+00-0.04544460E-03 3 0.04176543E-06-0.01322726E-09-0.08447516E+06-0.02052538E+03 4 CACL 80792CA 1CL 1 G 0300.00 5000.00 1000.00 1 0.04272197E+02 0.04612770E-02-0.02684554E-05 0.07233022E-09-0.05565813E-13 2 -0.01387933E+06 0.04556153E+02 0.03810549E+02 0.02372144E-01-0.02939380E-04 3 0.01528166E-07-0.02396962E-11-0.01379994E+06 0.06742955E+02 4 CACL2 80792CA 1CL 2 G 0300.00 5000.00 1000.00 1 0.07322969E+02 0.02201546E-02-0.01035664E-05 0.02117574E-09-0.01575201E-13 2 -0.05893953E+06-0.06959426E+02 0.06595983E+02 0.02364235E-01-0.01611807E-04 3 -0.04866457E-08 0.05973912E-11-0.05877467E+06-0.03308009E+02 4 CACL2(S) 81092CA 1CL 2 S 0300.00 2000.00 1000.00 1 0.06749013E+02 0.03694542E-01-0.02199980E-05 0.01165549E-08-0.02193898E-12 2 -0.09759255E+06-0.02629777E+03 0.05722155E+02 0.01836100E+00-0.03597296E-03 3 0.03173054E-06-0.09522563E-10-0.09798464E+06-0.02415730E+03 4 CAF 80792CA 1F 1 G 0300.00 5000.00 1000.00 1 0.04150489E+02 0.05746086E-02-0.03081448E-05 0.07585468E-09-0.05641270E-13 2 -0.03400290E+06 0.03725193E+02 0.03309446E+02 0.03419155E-01-0.03357208E-04 3 0.01004510E-07 0.01112627E-11-0.03382332E+06 0.07876121E+02 4 CAF2 80792CA 1F 2 G 0300.00 5000.00 1000.00 1 0.06575083E+02 0.05172194E-02-0.02403804E-05 0.04876347E-09-0.03608526E-13 2 -0.09641588E+06-0.04868362E+02 0.05023320E+02 0.04921285E-01-0.03129418E-04 3 -0.01178313E-07 0.01260201E-10-0.09604913E+06 0.02984363E+02 4 CAH2O2 81292CA 1H 2O 2 G 0300.00 5000.00 1000.00 1 0.08627170E+02 0.03353668E-01-0.01123553E-04 0.01801642E-08-0.01122696E-12 2 -0.07617877E+06-0.01582838E+03 0.05634984E+02 0.01431225E+00-0.01160774E-03 3 0.02415328E-08 0.02445194E-10-0.07567777E+06-0.01510141E+02 4 CAH2O2(S) 81292CA 1H 2O 2 S 0300.00 1000.00 1000.00 1 0.01418556E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01237066E+07-0.07268995E+03-0.07906910E+01 0.06795647E+00-0.01329918E-02 3 0.01211862E-05-0.04117456E-09-0.01204396E+07-0.07999789E+01 4 CAI 80792CA 1I 1 G 0300.00 5000.00 1000.00 1 0.04316128E+02 0.04138589E-02-0.02776385E-05 0.08074141E-09-0.06592826E-13 2 -0.01903879E+05 0.06725163E+02 0.04078205E+02 0.01812968E-01-0.02972846E-04 3 0.02225520E-07-0.06173497E-11-0.01881151E+05 0.07754936E+02 4 CAI2 80792CA 1I 2 G 0300.00 5000.00 1000.00 1 0.07403366E+02 0.01208762E-02-0.05698306E-06 0.01167152E-09-0.08696049E-14 2 -0.03328039E+06-0.02870204E+02 0.06975307E+02 0.01413683E-01-0.01046359E-04 3 -0.01757655E-08 0.03111958E-11-0.03318450E+06-0.07269292E+01 4 CAO 80792CA 1O 1 G 0300.00 5000.00 1000.00 1 0.08665723E+02-0.09857255E-01 0.07277137E-04-0.01813874E-07 0.01477538E-11 2 0.02566423E+05-0.02151985E+03 0.07277069E+02-0.02477194E+00 0.06313166E-03 3 -0.06322423E-06 0.02200693E-09 0.03774998E+05-0.09934620E+02 4 CAO(S) 81092CA 1O 1 S 0300.00 3600.00 1000.00 1 0.05184497E+02 0.01938337E-01-0.08932525E-05 0.02410689E-08-0.02389613E-12 2 -0.07806390E+06-0.02562669E+03 0.02964466E+02 0.09464719E-01-0.07948131E-04 3 0.06517958E-08 0.01313902E-10-0.07762567E+06-0.01476156E+03 4 CAOH 80792CA 1H 1O 1 G 0300.00 5000.00 1000.00 1 0.05164977E+02 0.01974644E-01-0.07757403E-05 0.01507385E-08-0.01048831E-12 2 -0.02493597E+06-0.01690344E+02 0.03596803E+02 0.08182874E-01-0.07863515E-04 3 0.01974293E-07 0.06136755E-11-0.02469004E+06 0.05713983E+02 4 CAOH+ 80792CA 1H 1O 1E -1G 0300.00 5000.00 1000.00 1 0.05293390E+02 0.01697953E-01-0.05704847E-05 0.09169199E-09-0.05724155E-13 2 0.04274157E+06-0.03041255E+02 0.03766022E+02 0.07251869E-01-0.05903957E-04 3 0.02063514E-08 0.01186538E-10 0.04300269E+06 0.04285959E+02 4 CAS 80792CA 1S 1 G 0300.00 5000.00 1000.00 1 0.04077726E+02-0.02148896E-01 0.03595164E-04-0.01167272E-07 0.01101218E-11 2 0.01401038E+06 0.05797750E+02 0.05045918E+02-0.09248234E-01 0.03176027E-03 3 -0.04007223E-06 0.01698112E-09 0.01355553E+06 0.08770679E+01 4 CCL 40992C 1CL 1 G 0300.00 4000.00 1500.00 1 0.04306010E+02 0.01816861E-02-0.07184326E-06 0.01354479E-09-0.01002479E-13 2 0.05198808E+06 0.01558593E+02 0.02871441E+02 0.04709268E-01-0.05629052E-04 3 0.03086609E-07-0.06379756E-11 0.05237631E+06 0.08859373E+02 4 CCL2 40992C 1CL 2 G 0300.00 4000.00 1500.00 1 0.06632435E+02 0.03558831E-02-0.01507592E-05 0.03116243E-09-0.02546496E-13 2 0.02443636E+06-0.06590137E+02 0.03329579E+02 0.01112853E+00-0.01375891E-03 3 0.07726329E-07-0.01624070E-10 0.02530408E+06 0.01010975E+03 4 CCL2CCLO 40992C 2 O 1CL 3 G 0300.00 4000.00 1500.00 1 0.01497380E+03 0.09004180E-02-0.03714287E-05 0.05602716E-09-0.02392170E-13 2 -0.01781718E+06-0.04510704E+03 0.05066114E+02 0.02846673E+00-0.03113001E-03 3 0.01605483E-06-0.03208502E-10-0.01474354E+06 0.06663101E+02 4 CCL2CCLOH 53090C 2H 1O 1CL 3G 0300.00 5000.00 1500.00 1 0.01567259E+03 0.02218766E-01-0.04425239E-05 0.06261725E-10 0.03673507E-13 2 -0.02855361E+06-0.05085224E+03 0.04602117E+02 0.03408842E+00-0.03836909E-03 3 0.02120271E-06-0.04527143E-10-0.02507945E+06 0.06859776E+02 4 CCL2CH 40992H 1C 2CL 2 G 0300.00 4000.00 1500.00 1 0.01101223E+03 0.01364477E-01-0.03497001E-05 0.01107466E-09 0.03844298E-13 2 0.02706218E+06-0.02886258E+03 0.02961736E+02 0.02429423E+00-0.02731403E-03 3 0.01493184E-06-0.03162966E-10 0.02960233E+06 0.01317486E+03 4 CCL2HOO 53090C 1H 1O 2CL 2G 0300.00 5000.00 1500.00 1 0.01273967E+03 0.01671789E-01-0.03280073E-05 0.09239024E-10 0.02183938E-13 2 -0.05665041E+05-0.03552584E+03 0.03425417E+02 0.02745544E+00-0.02973832E-03 3 0.01588391E-06-0.03309428E-10-0.02675529E+05 0.01333474E+03 4 CCL2OHCH2 53090C 2H 3O 1CL 2G 0300.00 5000.00 1500.00 1 0.01606355E+03 0.02856412E-01-0.05564238E-05 0.02056416E-09 0.02871365E-13 2 -0.01756115E+06-0.05438455E+03 0.02870959E+02 0.04462273E+00-0.05377946E-03 3 0.03093185E-06-0.06719238E-10-0.01379636E+06 0.01305466E+03 4 CCL2OHCHCL 53090C 2H 2O 1CL 3G 0300.00 5000.00 1500.00 1 0.01681474E+03 0.02433421E-01-0.04717311E-05 0.01595327E-09 0.02647197E-13 2 -0.02217115E+06-0.05406904E+03 0.05487264E+02 0.03719540E+00-0.04391386E-03 3 0.02501465E-06-0.05417859E-10-0.01882134E+06 0.04237537E+02 4 CCL3 40992C 1CL 3 G 0300.00 4000.00 1500.00 1 0.09375859E+02 0.05723237E-02-0.02242398E-05 0.04238666E-09-0.03174834E-13 2 0.05113147E+05-0.01813304E+03 0.04292822E+02 0.01682379E+00-0.02044420E-03 3 0.01135805E-06-0.02371493E-10 0.06477756E+05 0.07677874E+02 4 CCL3CCLH2 53090C 2H 2CL 4 G 0300.00 5000.00 1500.00 1 0.01788619E+03 0.02281235E-01-0.04746598E-05 0.01962667E-09 0.02451768E-13 2 -0.02496335E+06-0.06312883E+03 0.03463508E+02 0.04144805E+00-0.04421053E-03 3 0.02320525E-06-0.04772525E-10-0.02028144E+06 0.01275956E+03 4 CCL3CCLO 40992C 2 O 1CL 4 G 0300.00 4000.00 1500.00 1 0.01687401E+03 0.01341876E-01-0.04555006E-05 0.07178333E-09-0.04348641E-13 2 -0.03442278E+06-0.05295025E+03 0.06334167E+02 0.03461171E+00-0.04173791E-03 3 0.02324686E-06-0.04882451E-10-0.03152121E+06 0.07697654E+01 4 CCL3CH2 53090C 2H 2CL 3 G 0300.00 5000.00 1500.00 1 0.01468243E+03 0.02202649E-01-0.03960690E-05 0.02319280E-10 0.03655521E-13 2 0.03875531E+05-0.04495230E+03 0.05008132E+02 0.03031103E+00-0.03453620E-03 3 0.01951049E-06-0.04245840E-10 0.06936588E+05 0.05474640E+02 4 CCL3CHCL 53090C 2H 1CL 4 G 0300.00 5000.00 1500.00 1 0.01610198E+03 0.01597223E-01-0.04069892E-05 0.04158083E-09-0.01105635E-13 2 -0.02318814E+04-0.04936573E+03 0.05761929E+02 0.03433482E+00-0.04163980E-03 3 0.02362341E-06-0.05054182E-10 0.02663920E+05 0.03399588E+02 4 CCL3CHO 53090C 2H 1O 1CL 3G 0300.00 5000.00 1500.00 1 0.01532135E+03 0.01914228E-01-0.03622777E-05 0.05526564E-10 0.03016202E-13 2 -0.02886499E+06-0.04774516E+03 0.05016867E+02 0.02961902E+00-0.03140321E-03 3 0.01666643E-06-0.03481662E-10-0.02544921E+06 0.06644422E+02 4 CCL3OO 53090C 1O 2CL 3 G 0300.00 5000.00 1500.00 1 0.01473249E+03 0.08345102E-02-0.03627944E-05 0.07101159E-09-0.05165897E-13 2 -0.05526644E+05-0.04381961E+03 0.04317420E+02 0.03486414E+00-0.04287094E-03 3 0.02371950E-06-0.04903871E-10-0.02855912E+05 0.08720693E+02 4 CCL4 40992C 1CL 4 G 0300.00 4000.00 1500.00 1 0.01222570E+03 0.07440275E-02-0.03141658E-05 0.06499383E-09-0.05330319E-13 2 -0.01439931E+06-0.03133566E+03 0.05107111E+02 0.02402469E+00-0.02980593E-03 3 0.01678331E-06-0.03535253E-10-0.01253198E+06 0.04640845E+02 4 CCLH2OO 53090C 1H 2O 2CL 1G 0300.00 5000.00 1500.00 1 0.01131351E+03 0.02330645E-01-0.03546376E-05-0.02064087E-09 0.06154082E-13 2 -0.04225590E+05-0.03183829E+03 0.01583541E+02 0.02745395E+00-0.02803155E-03 3 0.01491598E-06-0.03172720E-10-0.08340802E+04 0.01999023E+03 4 CH 121286C 1H 1 G 0300.00 5000.00 1000.00 1 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072876E-01-0.05134431E-04 3 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331588E+02 4 CH+ 121286C 1H 1E -1 G 0300.00 5000.00 1000.00 1 0.02753358E+02 0.01552900E-01-0.05368453E-05 0.08921772E-09-0.05416801E-13 2 0.01948467E+07 0.04654892E+02 0.03327207E+02 0.01347051E-01-0.03895861E-04 3 0.05129390E-07-0.02054576E-10 0.01946452E+07 0.01408474E+02 4 CH2CCL 53090C 2H 2CL 1 G 300.00 5000.000 1500.00 1 0.09117805E+02 0.02336015E-01-0.03466390E-05-0.03584809E-09 0.08154328E-13 2 0.02697366E+06-0.02251742E+03 0.01553177E+02 0.02243159E+00-0.02366950E-03 3 0.01323270E-06-0.02931823E-10 0.02962339E+06 0.01769303E+03 4 CH2CCL2 53090C 2H 2CL 2 G 0300.00 5000.00 1500.00 1 0.01169451E+03 0.02435982E-01-0.03733045E-05-0.01419412E-09 0.05199337E-13 2 -0.04601975E+05-0.03547415E+03 0.01527166E+02 0.02983780E+00-0.03171097E-03 3 0.01728380E-06-0.03709638E-10-0.01173986E+05 0.01827540E+03 4 CH2CCLOH 53090C 2H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.01267601E+03 0.03201392E-01-0.04788878E-05-0.02136104E-09 0.07030796E-13 2 -0.02402379E+06-0.04128498E+03 0.06647840E+01 0.03723168E+00-0.04115206E-03 3 0.02307135E-06-0.05021609E-10-0.02012318E+06 0.02165270E+03 4 CH2CHCCH 82489C 4H 4 G 0300.00 4000.00 1000.00 1 0.01069777E+03 0.06982014E-01-0.06567747E-05-0.03884517E-08 0.07200946E-12 2 0.03034803E+06-0.03128430E+03 0.03233893E+02 0.01865634E+00 0.01270320E-04 3 -0.09410096E-07 0.02956111E-10 0.03301097E+06 0.09922676E+02 4 AC3H5 MAR97C 3H 5 G 300.00 5000.00 1378.00 1 9.75762472E 00 1.00615154E-02-3.40608453E-06 5.25696641E-10-3.03917313E-14 2 1.52845733E 04-2.86237172E 01 9.73013819E-01 2.81818597E-02-1.62938809E-05 3 3.96194325E-09-2.25704537E-13 1.85230753E 04 1.93201408E 01 4 LONG0001 82489C 4H 5 G 0300.00 4000.00 1000.00 1 0.01286597E+03 0.07943369E-01-0.08626466E-05-0.04655635E-08 0.08951131E-12 2 0.03783552E+06-0.04182502E+03 0.02995240E+02 0.02288456E+00 0.01975471E-04 3 -0.01148245E-06 0.03197824E-10 0.04142218E+06 0.01289454E+03 4 CH2CHCHCH2 120189C 4H 6 G 0300.00 4000.00 1000.00 1 0.01254437E+03 0.09596525E-01-0.09187012E-05-0.05429640E-08 0.01005364E-11 2 0.08597330E+05-0.04217451E+03 0.01931624E+02 0.02479030E+00 0.03018071E-04 3 -0.01154686E-06 0.02586623E-10 0.01255468E+06 0.01701999E+03 4 CH2CHCL 53090C 2H 3CL 1 G 0300.00 5000.00 1500.00 1 0.01029820E+03 0.03042926E-01-0.03881390E-05-0.04925565E-09 0.01005072E-12 2 -0.02492899E+05-0.03108614E+03 0.01118026E+01 0.02796358E+00-0.02726559E-03 3 0.01463257E-06-0.03204075E-10 0.01287844E+05 0.02381617E+03 4 CH2CL 53090C 1H 2CL 1 G 0300.00 5000.00 1500.00 1 0.06822515E+02 0.01659744E-01-0.02075515E-05-0.02793518E-09 0.05509087E-13 2 0.01080454E+06-0.01090504E+03 0.02419924E+02 0.01303317E+00-0.01356559E-03 3 0.07836108E-07-0.01800535E-10 0.01243112E+06 0.01269845E+03 4 CH2CL2 112989C 1H 2CL 2 G 0300.00 5000.00 1000.00 1 0.05917327E+02 0.06762395E-01-0.02676163E-04 0.04856687E-08-0.03316974E-12 2 -0.01385926E+06-0.03877739E+02 0.01423284E+02 0.02116658E+00-0.02178088E-03 3 0.01345873E-06-0.03811649E-10-0.01268664E+06 0.01893445E+03 4 CH2CLCCL2 53090C 2H 2CL 3 G 0300.00 5000.00 1500.00 1 0.01438156E+03 0.02379635E-01-0.04167426E-05-0.02445116E-10 0.04499574E-13 2 -0.02746720E+05-0.04351762E+03 0.03351194E+02 0.03297633E+00-0.03604139E-03 3 0.01977453E-06-0.04233823E-10 0.08620011E+04 0.01444760E+03 4 CH2CLCCLO 53090C 2H 2O 1CL 2G 0300.00 5000.00 1500.00 1 0.01392027E+03 0.02589602E-01-0.04141892E-05-0.01643169E-09 0.06237174E-13 2 -0.03517257E+06-0.04389503E+03 0.02705995E+02 0.03210128E+00-0.03357727E-03 3 0.01814310E-06-0.03890009E-10-0.03130905E+06 0.01566013E+03 4 CH2CLCH2 53090C 2H 4CL 1 G 0300.00 5000.00 1500.00 1 0.01167011E+03 0.03554722E-01-0.04124241E-05-0.07276110E-09 0.01316756E-12 2 0.06201629E+05-0.03604549E+03 0.01635864E+02 0.02680201E+00-0.02491421E-03 3 0.01349235E-06-0.03046571E-10 0.01014294E+06 0.01864248E+03 4 CH2CLCH2CL 53090C 2H 4CL 2 G 0300.00 5000.00 1500.00 1 0.01443143E+03 0.03836770E-01-0.05299122E-05-0.05165412E-09 0.01177636E-12 2 -0.02296285E+06-0.05130124E+03-0.02436500E+01 0.04032574E+00-0.03956993E-03 3 0.02074245E-06-0.04412604E-10-0.01767830E+06 0.02741366E+03 4 CH2CLCHCL 53090C 2H 3CL 2 G 0300.00 5000.00 1500.00 1 0.01295593E+03 0.03001689E-01-0.04165162E-05-0.03909055E-09 0.09041090E-13 2 0.09932077E+04-0.03925387E+03 0.02276185E+02 0.03011401E+00-0.03047664E-03 3 0.01654880E-06-0.03613198E-10 0.04836340E+05 0.01792166E+03 4 CH2CLCHCL2 53090C 2H 3CL 3 G 0300.00 5000.00 1500.00 1 0.01618739E+03 0.03047681E-01-0.05011496E-05-0.01596701E-09 0.07107547E-13 2 -0.02474417E+06-0.05695454E+03 0.01239011E+02 0.04148444E+00-0.04188654E-03 3 0.02163214E-06-0.04467364E-10-0.01960717E+06 0.02257856E+03 4 CH2CLCHO 53090C 2H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.01227955E+03 0.03320979E-01-0.04106710E-05-0.06199826E-09 0.01190594E-12 2 -0.02678416E+06-0.03762356E+03 0.06553003E+01 0.02959046E+00-0.02635056E-03 3 0.01327545E-06-0.02838288E-10-0.02227005E+06 0.02576797E+03 4 CH2CO 121686C 2H 2O 1 G 0300.00 5000.00 1000.00 1 0.06038817E+02 0.05804840E-01-0.01920954E-04 0.02794485E-08-0.01458868E-12 2 -0.08583402E+05-0.07657581E+02 0.02974971E+02 0.01211871E+00-0.02345046E-04 3 -0.06466685E-07 0.03905649E-10-0.07632637E+05 0.08673553E+02 4 CH2F2 82489C 1H 2F 2 G 0300.00 5000.00 1000.00 1 0.04730052E+02 0.07997300E-01-0.03186045E-04 0.05801160E-08-0.03967925E-12 2 -0.05637288E+06-0.04954843E+01 0.03669434E+01 0.02168917E+00-0.02441913E-03 3 0.01942310E-06-0.06978343E-10-0.05510103E+06 0.02202215E+03 4 CH2HCO 110393O 1H 3C 2 G 0300.00 5000.00 1000.00 1 0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12 2 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.01073857E+00 0.01891492E-04 3 -0.07158583E-07 0.02867385E-10 0.01521477E+05 0.09558290E+02 4 CH2O 121286C 1H 2O 1 G 0300.00 5000.00 1000.00 1 0.02995606E+02 0.06681321E-01-0.02628955E-04 0.04737153E-08-0.03212517E-12 2 -0.01532037E+06 0.06912572E+02 0.01652731E+02 0.01263144E+00-0.01888168E-03 3 0.02050031E-06-0.08413237E-10-0.01486540E+06 0.01378482E+03 4 CH2OH MAR97C 1H 3O 1 G 300.00 5000.00 1410.00 1 6.00127803E 00 4.98721568E-03-1.60953515E-06 2.40227135E-10-1.35582700E-14 2 -3.50157098E 03-6.92836844E 00 2.60067849E 00 1.28447854E-02-8.33796185E-06 3 2.75727606E-09-3.57041106E-13-2.33478724E 03 1.13272307E 01 4 CH2OHCCL2 53090C 2H 3O 1CL 2G 0300.00 5000.00 1500.00 1 0.01602181E+03 0.02846352E-01-0.04974218E-05-0.02167450E-10 0.05246046E-13 2 -0.01829579E+06-0.05402134E+03 0.01922940E+02 0.04158207E+00-0.04427505E-03 3 0.02343015E-06-0.04851868E-10-0.01375512E+06 0.02001902E+03 4 CH2OHCHCL 53090C 2H 4O 1CL 1G 0300.00 5000.00 1500.00 1 0.01446298E+03 0.03569514E-01-0.05419118E-05-0.02862176E-09 0.08920560E-13 2 -0.01475559E+06-0.04942815E+03 0.03505696E+01 0.04212749E+00-0.04493839E-03 3 0.02448187E-06-0.05236589E-10-0.01007314E+06 0.02495261E+03 4 CH2SICL 40992H 2C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.09915966E+02 0.01896319E-01-0.03304238E-05-0.03882353E-09 0.01089169E-12 2 0.01906587E+06-0.02389137E+03 0.03514077E+02 0.01959495E+00-0.02147274E-03 3 0.01214017E-06-0.02691323E-10 0.02123280E+06 0.09882836E+02 4 CH2SICL3 40992H 2C 1SI 1CL 3G 0300.00 4000.00 1500.00 1 0.01476240E+03 0.02289499E-01-0.04148337E-05-0.01526182E-09 0.07724698E-13 2 -0.04947703E+06-0.04020475E+03 0.06718170E+02 0.02712662E+00-0.03168529E-03 3 0.01809641E-06-0.03938906E-10-0.04710183E+06 0.01167360E+02 4 CH2SIH2CL 40992H 4C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01260561E+03 0.03468476E-01-0.04606434E-05-0.09748147E-09 0.02077681E-12 2 -0.05748538E+05-0.03743183E+03 0.02426229E+02 0.03028056E+00-0.03039200E-03 3 0.01612599E-06-0.03425629E-10-0.02268891E+05 0.01657736E+03 4 CH2SIHCL2 40992H 3C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01365092E+03 0.02909029E-01-0.04521180E-05-0.05274788E-09 0.01389320E-12 2 -0.02781262E+06-0.03810353E+03 0.04180967E+02 0.03005761E+00-0.03288772E-03 3 0.01822025E-06-0.03925700E-10-0.02480330E+06 0.01134845E+03 4 CH3 121286C 1H 3 G 0300.00 5000.00 1000.00 1 0.02844052E+02 0.06137974E-01-0.02230345E-04 0.03785161E-08-0.02452159E-12 2 0.01643781E+06 0.05452697E+02 0.02430443E+02 0.01112410E+00-0.01680220E-03 3 0.01621829E-06-0.05864953E-10 0.01642378E+06 0.06789794E+02 4 CH3C(O)CL 53090C 2H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.01240568E+03 0.03210496E-01-0.03737157E-05-0.06739592E-09 0.01219122E-12 2 -0.03432420E+06-0.03909195E+03 0.02275117E+02 0.02518533E+00-0.02152420E-03 3 0.01084005E-06-0.02369191E-10-0.03024376E+06 0.01657016E+03 4 CH3CC 82489C 3H 3 G 0300.00 4000.00 1000.00 1 0.07640221E+02 0.05233556E-01-0.05053635E-05-0.02919772E-08 0.05445700E-12 2 0.05909763E+06-0.01629573E+03 0.03798751E+02 0.08749062E-01 0.02523014E-04 3 -0.01529373E-07-0.01410562E-10 0.06077425E+06 0.05989223E+02 4 CH3CCCH3 120189C 4H 6 G 0300.00 4000.00 1000.00 1 0.01133658E+03 0.01005764E+00-0.09511323E-05-0.05660497E-08 0.01049451E-11 2 0.01547659E+06-0.03350867E+03 0.04077105E+02 0.01703159E+00 0.04707490E-04 3 -0.03767240E-07-0.02066963E-10 0.01859757E+06 0.08444801E+02 4 !CH3CHO 120186C 2O 1H 4 G 0300.00 5000.00 1000.00 1 ! 0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2 !-0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3 !-0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4 SC3H5 82489C 3H 5 G 0300.00 4000.00 1000.00 1 0.09101018E+02 0.07964168E-01-0.07884945E-05-0.04562036E-08 0.08529212E-12 2 0.02670680E+06-0.02150559E+03 0.03385811E+02 0.01404534E+00 0.03204127E-04 3 -0.03824120E-07-0.09053742E-11 0.02909066E+06 0.01126649E+03 4 CH3CCL 53090C 2H 3CL 1 G 0300.00 5000.00 1500.00 1 0.01023962E+03 0.02767116E-01-0.03228853E-05-0.05752548E-09 0.01043430E-12 2 0.02633607E+06-0.02806184E+03 0.01687397E+02 0.02164347E+00-0.01891466E-03 3 0.09699015E-07-0.02134580E-10 0.02975387E+06 0.01882236E+03 4 CH3CCL2 53090C 2H 3CL 2 G 0300.00 5000.00 1500.00 1 0.01300035E+03 0.02940485E-01-0.03746456E-05-0.05040644E-09 0.01006332E-12 2 -0.04228816E+04-0.03979863E+03 0.03213473E+02 0.02587378E+00-0.02419993E-03 3 0.01273817E-06-0.02788481E-10 0.03325663E+05 0.01333320E+03 4 CH3CCL3 53090C 2H 3CL 3 G 0300.00 5000.00 1500.00 1 0.01637160E+03 0.02935021E-01-0.04836108E-05-0.01454723E-09 0.06731691E-13 2 -0.02378095E+06-0.05941864E+03 0.02484363E+02 0.03909474E+00-0.04013637E-03 3 0.02110179E-06-0.04418213E-10-0.01902540E+06 0.01435603E+03 4 CH3CCLO 53090C 2H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.01240595E+03 0.03210266E-01-0.03736397E-05-0.06740236E-09 0.01219081E-12 2 -0.03432283E+06-0.03909605E+03 0.02277402E+02 0.02517912E+00-0.02151632E-03 3 0.01083524E-06-0.02368079E-10-0.03024308E+06 0.01655556E+03 4 CH3CH2CCH 120189C 4H 6 G 0300.00 4000.00 1000.00 1 0.01200695E+03 0.09576069E-01-0.08995018E-05-0.05369808E-08 0.09934174E-12 2 0.01729420E+06-0.03802692E+03 0.03726043E+02 0.02053493E+00 0.03021439E-04 3 -0.08131813E-07 0.01095280E-10 0.02048821E+06 0.08538826E+02 4 CH3CH2CH2C 62090C 4H 10 G 0300.00 4000.00 1500.00 1 0.02032597E+03 0.01025189E+00-0.09348665E-05-0.04706743E-08 0.08327283E-12 2 -0.02590868E+06-0.08998431E+03-0.02544545E+02 0.05770712E+00-0.04104933E-03 3 0.01684742E-06-0.03176653E-10-0.01682847E+06 0.03586176E+03 4 CH3CH2CL 53090C 2H 5CL 1 G 0300.00 5000.00 1500.00 1 0.01301118E+03 0.04448941E-01-0.05200473E-05-0.09119710E-09 0.01658842E-12 2 -0.02013503E+06-0.04677847E+03-0.06981899E+01 0.03567705E+00-0.03230260E-03 3 0.01689622E-06-0.03727523E-10-0.01476054E+06 0.02802219E+03 4 PC3H5 82489C 3H 5 G 0300.00 4000.00 1000.00 1 0.09209764E+02 0.07871413E-01-0.07724523E-05-0.04497357E-08 0.08377272E-12 2 0.02853967E+06-0.02232370E+03 0.03161863E+02 0.01518100E+00 0.02722659E-04 3 -0.05177112E-07 0.05435286E-12 0.03095548E+06 0.01197973E+03 4 CH3CHCL 53090C 2H 4CL 1 G 0300.00 5000.00 1500.00 1 0.01166291E+03 0.03539284E-01-0.03858423E-05-0.08186871E-09 0.01407549E-12 2 0.03696642E+05-0.03616108E+03 0.01903574E+02 0.02438193E+00-0.02062779E-03 3 0.01068382E-06-0.02414461E-10 0.07722870E+05 0.01768152E+03 4 CH3CHCL2 53090C 2H 4CL 2 G 0300.00 5000.00 1500.00 1 0.01454311E+03 0.03772378E-01-0.05189301E-05-0.05141063E-09 0.01163076E-12 2 -0.02277045E+06-0.05147426E+03 0.04510764E+01 0.03884901E+00-0.03832912E-03 3 0.02029502E-06-0.04357591E-10-0.01767234E+06 0.02414546E+03 4 CH3CL 112989C 1H 3CL 1 G 0300.00 5000.00 1000.00 1 0.03633876E+02 0.08664625E-01-0.03343871E-04 0.05950130E-08-0.04001401E-12 2 -0.01177659E+06 0.04430651E+02 0.04621901E+01 0.02068247E+00-0.02553133E-03 3 0.02160311E-06-0.07706816E-10-0.01093667E+06 0.02032977E+03 4 CH3CO 120186C 2H 3O 1 G 0300.00 5000.00 1000.00 1 0.05612279E+02 0.08449886E-01-0.02854147E-04 0.04238376E-08-0.02268404E-12 2 -0.05187863E+05-0.03274949E+02 0.03125278E+02 0.09778220E-01 0.04521448E-04 3 -0.09009462E-07 0.03193718E-10-0.04108508E+05 0.01122885E+03 4 CH3F 82489C 1H 3F 1 G 0300.00 5000.00 1000.00 1 0.03014978E+02 0.09314397E-01-0.03611697E-04 0.06443728E-08-0.04339594E-12 2 -0.02977838E+06 0.06323815E+02 0.02600911E+01 0.02000788E+00-0.02662585E-03 3 0.02561177E-06-0.09935237E-10-0.02896233E+06 0.02031799E+03 4 CH3HCO 120186C 2O 1H 4 G 0300.00 5000.00 1000.00 1 0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2 -0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3 -0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4 CH3NO 103190C 1H 3N 1O 1G 0300.00 4000.00 1500.00 1 0.08820547E+02 0.03706233E-01-0.02894741E-05-0.01897910E-08 0.03237544E-12 2 0.05362862E+05-0.02213220E+03 0.02109955E+02 0.01517822E+00-0.07071789E-04 3 0.01510611E-07-0.01604204E-11 0.08293612E+05 0.01569702E+03 4 CH3NO2 MAR98C 1H 3N 1O 2G 300.00 5000.00 1390.00 1 7.50632429E 00 9.52121946E-03-3.27760562E-06 5.08678596E-10-2.94455378E-14 2 -1.21622632E 04-1.15251806E 01-3.70775080E-01 2.83702793E-02-2.08339624E-05 3 8.08980673E-09-1.30521082E-12-9.45681543E 03 3.06459151E 01 4 CH3O 121686C 1H 3O 1 G 0300.00 3000.00 1000.00 1 0.03770800E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2 0.01278325E+04 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3 -0.07377636E-07 0.02075611E-10 0.09786011E+04 0.01315218E+03 4 CH3OCH3 103190C 1H 6O 1 G 0300.00 4000.00 1500.00 1 0.01228100E+03 0.06711031E-01-0.04726871E-05-0.03636409E-08 0.06084545E-12 2 -0.02839743E+06-0.04434692E+03 0.01245246E+02 0.02381198E+00-0.08266949E-04 3 0.03068452E-08 0.01909248E-11-0.02335996E+06 0.01855817E+03 4 CH3OCL 53090C 1H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.01022518E+03 0.02780047E-01-0.03331582E-05-0.05437858E-09 0.01012799E-12 2 -0.01172886E+06-0.02912014E+03 0.01575392E+02 0.02255642E+00-0.02052644E-03 3 0.01075312E-06-0.02371140E-10-0.08346834E+05 0.01804593E+03 4 CH3OH 121686C 1H 4O 1 G 0300.00 5000.00 1000.00 1 0.04029061E+02 0.09376593E-01-0.03050254E-04 0.04358793E-08-0.02224723E-12 2 -0.02615791E+06 0.02378196E+02 0.02660115E+02 0.07341508E-01 0.07170051E-04 3 -0.08793194E-07 0.02390570E-10-0.02535348E+06 0.01123263E+03 4 CH3ONO 103190C 1H 3N 1O 2G 0300.00 4000.00 1500.00 1 0.01136129E+03 0.04159349E-01-0.04145670E-05-0.01695140E-08 0.03028732E-12 2 -0.01281482E+06-0.03545435E+03 0.01490345E+02 0.02645433E+00-0.02112332E-03 3 0.09414399E-07-0.01811205E-10-0.09125782E+05 0.01813766E+03 4 CH3ONO2 103190C 1H 3N 1O 3G 0300.00 4000.00 1500.00 1 0.01436189E+03 0.04112243E-01-0.05113052E-05-0.01496436E-08 0.03012156E-12 2 -0.01972440E+06-0.05131842E+03 0.07803354E+01 0.03454204E+00-0.02822328E-03 3 0.01232324E-06-0.02302164E-10-0.01465346E+06 0.02245752E+03 4 CH3SICL 10891C 1H 3CL 1SI 1G 0300.00 4000.00 1500.00 1 0.01001981E+03 0.03098227E-01-0.03223524E-05-0.01222654E-08 0.02254960E-12 2 -0.05427416E+05-0.02357211E+03 0.03485139E+02 0.01833182E+00-0.01573128E-03 3 0.07856310E-07-0.01670946E-10-0.02954042E+05 0.01186948E+03 4 CH3SIH2SIH 10891C 2H 10SI 2 G 0300.00 4000.00 1500.00 1 0.02302241E+03 0.08819047E-01-0.08859755E-05-0.03700889E-08 0.06746256E-12 2 -0.01577058E+06-0.09458104E+03 0.02492915E+02 0.05396367E+00-0.04281663E-03 3 0.01967585E-06-0.03981630E-10-0.07813141E+05 0.01758364E+03 4 CH3SIH2SIH2CH3 61991H 10C 2SI 2 G 0300.00 2500.00 1500.00 1 0.01948332E+03 0.01195163E+00-0.02653155E-05-0.01489522E-07 0.03049901E-11 2 -0.01405639E+06-0.07368209E+03 0.03129493E+02 0.05016930E+00-0.03522061E-03 3 0.01354295E-06-0.02274339E-10-0.08303932E+05 0.01426819E+03 4 CH3SIHCL2 10891C 1CL 2H 4SI 1G 0300.00 4000.00 1500.00 1 0.01459367E+03 0.04005638E-01-0.04816391E-05-0.01336359E-08 0.02648177E-12 2 -0.05325682E+06-0.04689839E+03 0.04156949E+02 0.02994072E+00-0.02797859E-03 3 0.01431829E-06-0.03010165E-10-0.04952345E+06 0.09043929E+02 4 CH4 121286C 1H 4 G 0300.00 5000.00 1000.00 1 0.01683479E+02 0.01023724E+00-0.03875129E-04 0.06785585E-08-0.04503423E-12 2 -0.01008079E+06 0.09623395E+02 0.07787415E+01 0.01747668E+00-0.02783409E-03 3 0.03049708E-06-0.01223931E-09-0.09825229E+05 0.01372219E+03 4 CHCL 112989C 1H 1CL 1 G 0300.00 5000.00 1200.00 1 0.03216518E+02 0.05976969E-01-0.02918238E-04 0.05912801E-08-0.04297945E-12 2 0.03879839E+06 0.07793842E+02 0.02781263E+02 0.07805384E-01-0.01063711E-03 3 0.01065441E-06-0.03916797E-10 0.03916144E+06 0.01045515E+03 4 CHCL2 40992H 1C 1CL 2 G 0300.00 4000.00 1500.00 1 0.06912875E+02 0.01251733E-01-0.01973086E-05-0.02153722E-09 0.05853635E-13 2 0.07229632E+05-0.07968135E+02 0.02809820E+02 0.01295936E+00-0.01392392E-03 3 0.07533319E-07-0.01588448E-10 0.08515305E+05 0.01343798E+03 4 CHCL2CCL2 40992H 1C 2CL 4 G 0300.00 4000.00 1500.00 1 0.01530640E+03 0.02140772E-01-0.04619954E-05 0.08299157E-10 0.05236928E-13 2 -0.01524306E+05-0.04358303E+03 0.04207169E+02 0.03437580E+00-0.03802411E-03 3 0.02026572E-06-0.04164115E-10 0.01811422E+05 0.01398021E+03 4 CHCL2CCLO 40992H 1C 2 O 1CL 3G 0300.00 4000.00 1500.00 1 0.01488775E+03 0.02323698E-01-0.04365744E-05-0.01680889E-09 0.08613253E-13 2 -0.03483792E+06-0.04504932E+03 0.04593886E+02 0.03118954E+00-0.03338775E-03 3 0.01763042E-06-0.03630728E-10-0.03160866E+06 0.08756166E+02 4 CHCL2CH2 53090C 2H 3CL 2 G 0300.00 5000.00 1500.00 1 0.01306632E+03 0.02964322E-01-0.04303601E-05-0.03173131E-09 0.08244908E-13 2 0.04594697E+05-0.03814765E+03 0.02234889E+02 0.03152885E+00-0.03307990E-03 3 0.01825221E-06-0.03994163E-10 0.08375531E+05 0.01944506E+03 4 CHCL2CHCL 53090C 2H 2CL 3 G 0300.00 5000.00 1500.00 1 0.01445051E+03 0.02336553E-01-0.04132107E-05-0.05243785E-11 0.04204775E-13 2 -0.05183250E+04-0.04362699E+03 0.03789098E+02 0.03243338E+00-0.03598339E-03 3 0.01993302E-06-0.04287482E-10 0.02920910E+05 0.01221991E+03 4 CHCL2CHCL2 53090C 2H 2CL 4 G 0300.00 5000.00 1500.00 1 0.01745859E+03 0.02484178E-01-0.05127803E-05 0.02266909E-09 0.02371932E-13 2 -0.02510699E+06-0.06065213E+03 0.02711746E+02 0.04441279E+00-0.04905962E-03 3 0.02632472E-06-0.05466293E-10-0.02052421E+06 0.01624857E+03 4 CHCL3 40992H 1C 1CL 3 G 0300.00 4000.00 1500.00 1 0.01034980E+03 0.01690302E-01-0.03209168E-05-0.09502160E-10 0.05845725E-13 2 -0.01567029E+06-0.02558805E+03 0.02905633E+02 0.02315061E+00-0.02534675E-03 3 0.01356724E-06-0.02810882E-10-0.01339798E+06 0.01310749E+03 4 CHCLCCL 40992H 1C 2CL 2 G 0300.00 4000.00 1500.00 1 0.01027647E+03 0.01733039E-01-0.03161161E-05-0.08153494E-10 0.05443014E-13 2 0.02418877E+06-0.02436862E+03 0.02625129E+02 0.02366908E+00-0.02583240E-03 3 0.01383374E-06-0.02870111E-10 0.02654214E+06 0.01545629E+03 4 CHCLCCLOH 53090C 2H 2O 1CL 2G 0300.00 5000.00 1500.00 1 0.01412206E+03 0.02583764E-01-0.04576900E-05 0.05215675E-10 0.03521300E-13 2 -0.02752482E+06-0.04544297E+03 0.02020547E+02 0.03810981E+00-0.04280147E-03 3 0.02343806E-06-0.04934735E-10-0.02385982E+06 0.01729375E+03 4 CHCLCH 53090C 2H 2CL 1 G 0300.00 5000.00 1500.00 1 0.09924881E+02 0.01618108E-01-0.02995768E-05-0.09718417E-11 0.03296695E-13 2 0.02834312E+06-0.02704593E+03 0.01190122E+02 0.02432800E+00-0.02555965E-03 3 0.01375158E-06-0.02941848E-10 0.03138157E+06 0.01944186E+03 4 CHCLCHCL 53090C 2H 2CL 2 G 0300.00 5000.00 1500.00 1 0.01163648E+03 0.02461981E-01-0.03900520E-05-0.01521677E-09 0.05853766E-13 2 -0.05593248E+05-0.03507354E+03 0.01054340E+02 0.03076645E+00-0.03252549E-03 3 0.01763454E-06-0.03774444E-10-0.02006846E+05 0.02094011E+03 4 CHCLCHOH 53090C 2H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.01285464E+03 0.03107712E-01-0.04837735E-05-0.02088657E-09 0.07393125E-13 2 -0.02505588E+06-0.04274804E+03-0.02073397E+01 0.03868022E+00-0.04104567E-03 3 0.02211252E-06-0.04680556E-10-0.02074261E+06 0.02608356E+03 4 CHCLOH 53090C 1H 2O 1CL 1G 0300.00 5000.00 1500.00 1 0.09427376E+02 0.01722643E-01-0.02912707E-05-0.03765845E-10 0.03354461E-13 2 -0.01224575E+06-0.02330123E+03 0.01319372E+02 0.02406119E+00-0.02560105E-03 3 0.01356738E-06-0.02812530E-10-0.09640457E+05 0.01925640E+03 4 CHCLOHCH2 53090C 2H 4O 1CL 1G 0300.00 5000.00 1500.00 1 0.01438435E+03 0.03552541E-01-0.05033147E-05-0.04051247E-09 0.01001172E-12 2 -0.01383899E+06-0.04819745E+03 0.01473757E+02 0.03764188E+00-0.03898776E-03 3 0.02112109E-06-0.04543830E-10-0.09395106E+05 0.02033823E+03 4 CHCLOHCHCL 53090C 2H 3O 1CL 2G 0300.00 5000.00 1500.00 1 0.01567240E+03 0.02970040E-01-0.04827588E-05-0.01366600E-09 0.06500296E-13 2 -0.01896002E+06-0.05132923E+03 0.02626025E+02 0.03856175E+00-0.04091474E-03 3 0.02190241E-06-0.04603080E-10-0.01468188E+06 0.01735864E+03 4 CHF 82489C 1H 1F 1 G 0300.00 5000.00 1000.00 1 0.04242812E+02 0.02066316E-01-0.06527951E-05 0.01388700E-08-0.01213336E-12 2 0.01355982E+06 0.01680197E+02 0.03029061E+02 0.04850873E-01-0.04971679E-04 3 0.05277968E-07-0.02403154E-10 0.01401435E+06 0.08324101E+02 4 CHF3 82489C 1H 1F 3 G 0300.00 5000.00 1000.00 1 0.06834333E+02 0.06248731E-01-0.02575750E-04 0.04809112E-08-0.03352074E-12 2 -0.08663771E+06-0.01062741E+03 0.08725142E+01 0.02308432E+00-0.02123718E-03 3 0.01114428E-06-0.02909229E-10-0.08496391E+06 0.02021499E+03 4 CHOHCLCCL2 53090C 2H 2O 1CL 3G 0300.00 5000.00 1500.00 1 0.01681824E+03 0.02450153E-01-0.04706624E-05 0.01313263E-09 0.03046283E-13 2 -0.02253368E+06-0.05396958E+03 0.04216444E+02 0.03898554E+00-0.04360467E-03 3 0.02374677E-06-0.04984764E-10-0.01867017E+06 0.01152520E+03 4 CHSICL 40992H 1C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.08205361E+02 0.01092172E-01-0.02021812E-05-0.04611367E-10 0.03306854E-13 2 0.04201323E+06-0.01240589E+03 0.04575767E+02 0.01266147E+00-0.01507699E-03 3 0.08704482E-07-0.01902710E-10 0.04304864E+06 0.06132926E+02 4 CHSICL2 40992H 1C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01071823E+03 0.01148355E-01-0.02625783E-05 0.01567972E-09 0.01085455E-13 2 0.01124882E+06-0.02053734E+03 0.05945817E+02 0.01709681E+00-0.02135360E-03 3 0.01252863E-06-0.02749860E-10 0.01253413E+06 0.03573691E+02 4 CHSICL3 40992H 1C 1SI 1CL 3G 0300.00 4000.00 1500.00 1 0.01359698E+03 0.01283679E-01-0.03320724E-05 0.03292615E-09-0.05463635E-14 2 -0.02236189E+06-0.03349768E+03 0.07368467E+02 0.02227384E+00-0.02809218E-03 3 0.01644147E-06-0.03590729E-10-0.02071740E+06-0.02118077E+02 4 CHSIH2CL 40992H 3C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01142815E+03 0.02475732E-01-0.03864817E-05-0.04667547E-09 0.01222497E-12 2 0.02085332E+06-0.03033129E+03 0.02869509E+02 0.02622702E+00-0.02794178E-03 3 0.01516891E-06-0.03231519E-10 0.02364000E+06 0.01462055E+03 4 CHSIHCL 40992H 2C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.09716450E+02 0.01691882E-01-0.02846288E-05-0.02130090E-09 0.06948758E-13 2 0.03056780E+06-0.02079822E+03 0.04045980E+02 0.01850072E+00-0.02095734E-03 3 0.01185107E-06-0.02580401E-10 0.03232392E+06 0.08632908E+02 4 CHSIHCL2 40992H 2C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01246646E+03 0.01911555E-01-0.03687550E-05-0.05466318E-10 0.05749803E-13 2 -0.09679288E+04-0.03163481E+03 0.04853917E+02 0.02509790E+00-0.02916486E-03 3 0.01649649E-06-0.03563598E-10 0.01297543E+05 0.07606296E+02 4 CL 42189CL 1 G 0300.00 5000.00 1000.00 1 0.02920237E+02-0.03597985E-02 0.01294294E-05-0.02162776E-09 0.01376517E-13 2 0.01371338E+06 0.03262690E+02 0.02381577E+02 0.08891079E-02 0.04070476E-05 3 -0.02168943E-07 0.01160827E-10 0.01383999E+06 0.06021818E+02 4 CL(CH3)SICH2 40992H 5C 2SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01496923E+03 0.05605854E-01-0.06191278E-05-0.02134591E-08 0.03977673E-12 2 -0.01304066E+06-0.05036296E+03 0.02980753E+02 0.03627511E+00-0.03428566E-03 3 0.01799146E-06-0.03853029E-10-0.08814405E+05 0.01362870E+03 4 CL2 42189CL 2 G 0300.00 5000.00 1000.00 1 0.04274587E+02 0.03717337E-02-0.01893490E-05 0.05337465E-09-0.05057602E-13 2 -0.01331149E+05 0.02256947E+02 0.03439587E+02 0.02870774E-01-0.02385871E-04 3 0.02892918E-08 0.02915057E-11-0.01131787E+05 0.06471359E+02 4 CL2CCCL2 40992C 2CL 4 G 0300.00 4000.00 1500.00 1 0.01440000E+03 0.01269397E-01-0.03525286E-05 0.04493620E-09-0.02348053E-13 2 -0.08039017E+05-0.04321878E+03 0.05557831E+02 0.02778255E+00-0.03176769E-03 3 0.01706054E-06-0.03492940E-10-0.05495042E+05 0.02293508E+02 4 CL2CCHCL 40992H 1C 2CL 3 G 0300.00 4000.00 1500.00 1 0.01278204E+03 0.02068630E-01-0.03764411E-05-0.09077792E-10 0.06116574E-13 2 -0.06934337E+05-0.03655991E+03 0.03457684E+02 0.02848717E+00-0.03070062E-03 3 0.01624951E-06-0.03341401E-10-0.04047205E+05 0.01206381E+03 4 CL2CCHO 40992H 1C 2 O 1CL 2G 0300.00 4000.00 1500.00 1 0.01294627E+03 0.02168144E-01-0.04244587E-05-0.03590986E-09 0.01220303E-12 2 -0.01144361E+06-0.03783814E+03 0.03400952E+02 0.02760695E+00-0.02843245E-03 3 0.01470263E-06-0.03017427E-10-0.08287517E+05 0.01257321E+03 4 CL2CHOH 53090C 1H 2O 1CL 2G 0300.00 5000.00 1500.00 1 0.01129114E+03 0.02286704E-01-0.03461513E-05-0.01814480E-09 0.05661342E-13 2 -0.03803060E+06-0.03079831E+03 0.02619078E+02 0.02601286E+00-0.02784252E-03 3 0.01528682E-06-0.03294008E-10-0.03513998E+06 0.01492462E+03 4 CL2CO 40992C 1 O 1CL 2 G 0300.00 4000.00 1500.00 1 0.08764773E+02 0.08919938E-02-0.02237590E-05 0.01486621E-09 0.09630870E-14 2 -0.02973390E+06-0.01732025E+03 0.03460242E+02 0.01632331E+00-0.01828304E-03 3 0.09805656E-07-0.02024319E-10-0.02813622E+06 0.01019127E+03 4 CL2COH 53090C 1O 1H 1CL 2G 0300.00 5000.00 1500.00 1 0.01026215E+03 0.01316796E-01-0.02754008E-05 0.01630771E-09 0.06472563E-14 2 -0.01511655E+06-0.02298315E+03 0.03800719E+02 0.02204678E+00-0.02673857E-03 3 0.01531854E-06-0.03305323E-10-0.01332053E+06 0.09915879E+02 4 CL2HCO 53090C 1H 1O 1CL 2G 0300.00 5000.00 1500.00 1 0.01051838E+03 0.01499316E-01-0.02927670E-05 0.07898750E-10 0.01988433E-13 2 -0.06272394E+05-0.02634097E+03 0.02241202E+02 0.02456990E+00-0.02682371E-03 3 0.01443170E-06-0.03023080E-10-0.03624526E+05 0.01703508E+03 4 CL2SI(CH3)2 40992H 6C 2SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01890988E+03 0.06245385E-01-0.06370532E-05-0.02508388E-08 0.04589637E-12 2 -0.06523166E+06-0.06829627E+03 0.05958770E+02 0.03632045E+00-0.03098078E-03 3 0.01545683E-06-0.03292671E-10-0.06031232E+06 0.01996401E+02 4 CL2SI(CH3)CH2 40992H 5C 2SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01795078E+03 0.05155757E-01-0.06049094E-05-0.01717793E-08 0.03355529E-12 2 -0.03961749E+06-0.05949218E+03 0.05993815E+02 0.03621806E+00-0.03546358E-03 3 0.01906128E-06-0.04137511E-10-0.03541814E+06 0.04216162E+02 4 CL2SICH2 40992H 2C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01186709E+03 0.02689241E-01-0.04231139E-05-0.05555102E-09 0.01367174E-12 2 -0.02169965E+06-0.03225026E+03 0.04111900E+02 0.02637445E+00-0.02985130E-03 3 0.01679309E-06-0.03625511E-10-0.01940307E+06 0.07695176E+02 4 CL2SICH3 40992H 3C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01285090E+03 0.03239360E-01-0.03774509E-05-0.01111777E-08 0.02163712E-12 2 -0.03164727E+06-0.03531424E+03 0.05273286E+02 0.02205797E+00-0.02049425E-03 3 0.01060061E-06-0.02257829E-10-0.02891555E+06 0.05340218E+02 4 CL2SISI 40992SI 2CL 2 G 0300.00 4000.00 1500.00 1 0.09706403E+02 0.03323652E-02-0.01679851E-05 0.04061274E-09-0.03746093E-13 2 0.01334060E+06-0.01565614E+03 0.06576632E+02 0.01105568E+00-0.01422816E-03 3 0.08199114E-07-0.01752833E-10 0.01412004E+06 0.06538601E-02 4 CL2SISICL 40992SI 2CL 3 G 0300.00 4000.00 1500.00 1 0.01304318E+03-0.01847658E-03-0.02187635E-05 0.08817012E-09-0.01004063E-12 2 -0.01640770E+06-0.02832289E+03 0.08389457E+02 0.01629172E+00-0.02138192E-03 3 0.01207431E-06-0.02508349E-10-0.01534318E+06-0.05268396E+02 4 CL2SISICL2 40992SI 2CL 4 G 0300.00 4000.00 1500.00 1 0.01620538E+03 0.08400587E-04-0.02457560E-05 0.08992196E-09-0.09639101E-13 2 -0.05343016E+06-0.04193027E+03 0.01077595E+03 0.01717615E+00-0.02131386E-03 3 0.01172528E-06-0.02417202E-10-0.05196762E+06-0.01431634E+03 4 CL3CCO 81092C 2O 1CL 3 G 0300.00 5000.00 1400.00 1 0.01383246E+03 0.01240141E-01-0.03510210E-05 0.04103960E-09-0.01475220E-13 2 0.07499342E+07-0.03691505E+03 0.05016825E+02 0.02899350E+00-0.03563990E-03 3 0.02082488E-06-0.04661957E-10 0.07524076E+07 0.08141487E+02 4 CL3CO 53090C 1O 1CL 3 G 0300.00 5000.00 1500.00 1 0.01208526E+03 0.07759038E-02-0.02700075E-05 0.04346263E-09-0.02671642E-13 2 -0.06464079E+05-0.03099432E+03 0.04548646E+02 0.02463303E+00-0.02974898E-03 3 0.01647154E-06-0.03433021E-10-0.04416522E+05 0.07360693E+02 4 CL3COH 53090C 1O 1H 1CL 3G 0300.00 5000.00 1500.00 1 0.01285985E+03 0.01588083E-01-0.03377500E-05 0.02031362E-09 0.08017922E-14 2 -0.03807818E+06-0.03561945E+03 0.04269172E+02 0.02791723E+00-0.03272753E-03 3 0.01828272E-06-0.03882978E-10-0.03558880E+06 0.08521096E+02 4 CL3SICH3 40992H 3C 1SI 1CL 3G 0300.00 4000.00 1500.00 1 0.01572988E+03 0.03373817E-01-0.04472970E-05-0.09359551E-09 0.01995442E-12 2 -0.07539927E+06-0.05017697E+03 0.06708039E+02 0.02724465E+00-0.02730290E-03 3 0.01457864E-06-0.03116460E-10-0.07231476E+06-0.02328694E+02 4 CL3SISI 40992SI 2CL 3 G 0300.00 4000.00 1500.00 1 0.01263015E+03 0.04310339E-02-0.02248369E-05 0.05573034E-09-0.05229996E-13 2 -0.01723335E+06-0.02767933E+03 0.08429942E+02 0.01496243E+00-0.01942087E-03 3 0.01125326E-06-0.02414611E-10-0.01619796E+06-0.06711706E+02 4 CL3SISICL 40992SI 2CL 4 G 0300.00 4000.00 1500.00 1 0.01503498E+03 0.05376136E-02-0.02788507E-05 0.06889626E-09-0.06454867E-13 2 -0.05496076E+06-0.03460735E+03 0.09721335E+02 0.01889709E+00-0.02451039E-03 3 0.01419597E-06-0.03045164E-10-0.05364875E+06-0.08073287E+02 4 CLCCCL 40992C 2CL 2 G 0300.00 4000.00 1500.00 1 0.09105373E+02 0.09281996E-02-0.01948371E-05 0.01590377E-10 0.02472937E-13 2 0.02507216E+06-0.02072870E+03 0.05118707E+02 0.01243668E+00-0.01386540E-03 3 0.07609302E-07-0.01615959E-10 0.02631398E+06 0.03298777E+00 4 CLCCO 53090C 2O 1CL 1 G 0300.00 5000.00 1500.00 1 0.09368609E+02 0.03733935E-02-0.01286981E-05 0.01206469E-09 0.09220283E-15 2 0.01762808E+06-0.02046752E+03 0.04417443E+02 0.01129365E+00-0.01013488E-03 3 0.04661357E-07-0.09098661E-11 0.01952423E+06 0.06539246E+02 4 CLCH2OH 53090C 1H 3O 1CL 1G 0300.00 5000.00 1500.00 1 0.09750194E+02 0.02974385E-01-0.03450482E-05-0.06010047E-09 0.01089784E-12 2 -0.03248678E+06-0.02345467E+03 0.08330910E+01 0.02358999E+00-0.02137297E-03 3 0.01105808E-06-0.02402402E-10-0.02905351E+06 0.02503745E+03 4 CLCO 40992C 1 O 1CL 1 G 0300.00 4000.00 1500.00 1 0.06134827E+02 0.05369294E-02-0.07583742E-06-0.01514557E-09 0.03376080E-13 2 -0.05363338E+05-0.03198172E+02 0.04790425E+02 0.03165209E-01-0.02098201E-04 3 0.07703306E-08-0.01346351E-11-0.04812905E+05 0.04257480E+02 4 CLCOH 53090C 1H 1O 1CL 1G 0300.00 5000.00 1500.00 1 0.07642908E+02 0.01507814E-01-0.02651581E-05-0.01466785E-09 0.04797316E-13 2 -0.02511908E+05-0.01405046E+03 0.02037663E+02 0.01733328E+00-0.01936443E-03 3 0.01099366E-06-0.02427341E-10-0.06596141E+04 0.01538422E+03 4 CLH2CO 53090C 1H 2O 1CL 1G 0300.00 5000.00 1500.00 1 0.09104530E+02 0.02130629E-01-0.02994563E-05-0.02733652E-09 0.06437597E-13 2 -0.05255641E+05-0.02258799E+03 0.08437505E+01 0.02258903E+00-0.02217447E-03 3 0.01165204E-06-0.02487574E-10-0.02264707E+05 0.02176388E+03 4 CLHCO 40992H 1C 1 O 1CL 1G 0300.00 4000.00 1500.00 1 0.07132409E+02 0.01686027E-01-0.02034320E-05-0.05804520E-09 0.01152902E-12 2 -0.02522232E+06-0.01150137E+03 0.02378612E+02 0.01278870E+00-0.01094130E-03 3 0.05089666E-07-0.09985544E-11-0.02348305E+06 0.01417749E+03 4 CLO 40992 O 1CL 1 G 0300.00 4000.00 1500.00 1 0.04320627E+02 0.01730970E-02-0.07157875E-06 0.01424639E-09-0.01115543E-13 2 0.01328601E+06 0.01764362E+02 0.02918696E+02 0.04664857E-01-0.05654826E-04 3 0.03131108E-07-0.06515478E-11 0.01365989E+06 0.08877238E+02 4 CLOCL 53090O 1CL 2 G 0300.00 5000.00 1500.00 1 0.06635186E+02 0.03284434E-02-0.01225328E-05 0.02123621E-09-0.01404377E-13 2 0.07672352E+05-0.06410996E+02 0.03397880E+02 0.01080127E+00-0.01324655E-03 3 0.07392960E-07-0.01546583E-10 0.08527797E+05 0.09981834E+02 4 CLOO 40992 O 2CL 1 G 0300.00 4000.00 1500.00 1 0.06500858E+02 0.04259430E-02-0.01471496E-05 0.02312042E-09-0.01357033E-13 2 0.01465068E+06-0.05831007E+02 0.03097113E+02 0.01088530E+00-0.01274586E-03 3 0.06909658E-07-0.01419679E-10 0.01560137E+06 0.01159355E+03 4 CLSI(CH3)2 40992H 6C 2SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01602072E+03 0.06121766E-01-0.05697358E-05-0.02685516E-08 0.04764446E-12 2 -0.02023771E+06-0.05448286E+03 0.04366292E+02 0.03146501E+00-0.02442313E-03 3 0.01155763E-06-0.02441972E-10-0.01561856E+06 0.09415220E+02 4 CLSI(CH3)2CH2 40992H 8C 3SI 1CL 1G 0300.00 4000.00 1500.00 1 0.02115100E+03 0.08018265E-01-0.07924248E-05-0.03295050E-08 0.05955233E-12 2 -0.02795355E+06-0.07954995E+03 0.05283182E+02 0.04510586E+00-0.03881938E-03 3 0.01972924E-06-0.04266615E-10-0.02191153E+06 0.06553031E+02 4 CLSI(CH3)3 40992H 9C 3SI 1CL 1G 0300.00 4000.00 1500.00 1 0.02209311E+03 0.09120019E-01-0.08258094E-05-0.04093090E-08 0.07203542E-12 2 -0.05338834E+06-0.08746922E+03 0.05151450E+02 0.04536455E+00-0.03440035E-03 3 0.01610968E-06-0.03411234E-10-0.04659624E+06 0.05658041E+02 4 CLSICH3 40992H 3C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01002062E+03 0.03097435E-01-0.03221687E-05-0.01222123E-08 0.02253457E-12 2 -0.05623578E+05-0.02357626E+03 0.03485850E+02 0.01832800E+00-0.01572477E-03 3 0.07852071E-07-0.01669997E-10-0.03149803E+05 0.01186709E+03 4 CLSISI 40992SI 2CL 1 G 0300.00 4000.00 1500.00 1 0.06847303E+02 0.01844250E-02-0.09793979E-06 0.02440659E-09-0.02287823E-13 2 0.04772443E+06-0.03339368E+02 0.05234557E+02 0.05788035E-01-0.07516996E-04 3 0.04356402E-07-0.09346885E-11 0.04811932E+06 0.04702599E+02 4 CLSISICL 40992SI 2CL 2 G 0300.00 4000.00 1500.00 1 0.01008343E+03-0.01216815E-02-0.01555866E-05 0.07247150E-09-0.08633006E-13 2 0.01376083E+06-0.01644862E+03 0.07022588E+02 0.01136420E+00-0.01558778E-03 3 0.08961882E-07-0.01874769E-10 0.01437523E+06-0.01570360E+02 4 CN 121286C 1N 1 G 0300.00 5000.00 1000.00 1 0.03720120E+02 0.01518351E-02 0.01987381E-05-0.03798371E-09 0.01328230E-13 2 0.05111626E+06 0.02888597E+02 0.03663204E+02-0.01156529E-01 0.02163409E-04 3 0.01854208E-08-0.08214695E-11 0.05128118E+06 0.03739016E+02 4 CN+ 121286C 1N 1E -1 G 0300.00 5000.00 1000.00 1 0.03701463E+02 0.07482931E-02-0.01790173E-05 0.02366368E-09-0.01437037E-13 2 0.02155966E+07 0.04108678E+02 0.03118657E+02 0.01553258E-01-0.09487764E-05 3 0.01479501E-07-0.09096763E-11 0.02158512E+07 0.07456254E+02 4 CN- 121286C 1N 1E 1 G 0300.00 5000.00 1000.00 1 0.02981277E+02 0.01464773E-01-0.05672737E-05 0.01017623E-08-0.06870931E-13 2 0.06346098E+05 0.06171693E+02 0.03278995E+02 0.01464192E-01-0.03925899E-04 3 0.05629875E-07-0.02473497E-10 0.06279509E+05 0.04568972E+02 4 CN2 121686C 1N 2 G 0300.00 5000.00 1000.00 1 0.05567064E+02 0.02100501E-01-0.09010517E-05 0.01718572E-08-0.01206255E-12 2 0.05489968E+06-0.05630054E+02 0.03039964E+02 0.08812105E-01-0.07605508E-04 3 0.03554357E-07-0.08746100E-11 0.05563268E+06 0.07555298E+02 4 CNN 121286C 1N 2 G 0300.00 5000.00 1000.00 1 0.04785930E+02 0.02559554E-01-0.01003133E-04 0.01807149E-08-0.01227383E-12 2 0.06870411E+06-0.02953957E+01 0.03524436E+02 0.07271923E-01-0.08272698E-04 3 0.05628705E-07-0.01641576E-10 0.06899647E+06 0.05932445E+02 4 CNO 103190C 1N 1O 1 G 0300.00 4000.00 1500.00 1 0.06328598E+02 0.07390401E-02-0.01110761E-05-0.01846498E-09 0.04400816E-13 2 0.04683387E+06-0.09091839E+02 0.03819863E+02 0.06416255E-01-0.05303312E-04 3 0.02308211E-07-0.04256414E-11 0.04775979E+06 0.04507300E+02 4 CO 121286C 1O 1 G 0300.00 5000.00 1000.00 1 0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2 -0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3 0.05581944E-07-0.02474951E-10-0.01431054E+06 0.04848897E+02 4 CO2 121286C 1O 2 G 0300.00 5000.00 1000.00 1 0.04453623E+02 0.03140169E-01-0.01278411E-04 0.02393997E-08-0.01669033E-12 2 -0.04896696E+06-0.09553959E+01 0.02275725E+02 0.09922072E-01-0.01040911E-03 3 0.06866687E-07-0.02117280E-10-0.04837314E+06 0.01018849E+03 4 CO2- 121286C 1O 2E 1 G 0300.00 5000.00 1000.00 1 0.04610574E+02 0.02532962E-01-0.01070165E-04 0.02026771E-08-0.01424958E-12 2 -0.05479882E+06 0.01449630E+02 0.02637077E+02 0.07803230E-01-0.08196187E-04 3 0.06537897E-07-0.02520220E-10-0.05416773E+06 0.01188955E+03 4 COS 121286C 1O 1S 1 G 0300.00 5000.00 1000.00 1 0.05191925E+02 0.02506123E-01-0.01024396E-04 0.01943914E-08-0.01370800E-12 2 -0.01846210E+06-0.02825755E+02 0.02858531E+02 0.09515458E-01-0.08884915E-04 3 0.04220994E-07-0.08557340E-11-0.01785145E+06 0.09081989E+02 4 CS 121686C 1S 1 G 0300.00 5000.00 1000.00 1 0.03737431E+02 0.08180451E-02-0.03178918E-05 0.05356801E-09-0.02886195E-13 2 0.03247725E+06 0.03576557E+02 0.02938623E+02 0.02724352E-01-0.02397707E-04 3 0.01689501E-07-0.06665050E-11 0.03273992E+06 0.07848720E+02 4 CS2 121286C 1S 2 G 0300.00 5000.00 1000.00 1 0.05930515E+02 0.01813645E-01-0.07492172E-05 0.01445892E-08-0.01032638E-12 2 0.01205117E+06-0.06093910E+02 0.03566139E+02 0.08374928E-01-0.06835704E-04 3 0.02091214E-07-0.06737193E-12 0.01268848E+06 0.06085967E+02 4 CSICL 40992C 1SI 1CL 1 G 0300.00 4000.00 1500.00 1 0.06817655E+02 0.02139344E-02-0.01117811E-05 0.02768133E-09-0.02593011E-13 2 0.07133105E+06-0.04934821E+02 0.04809756E+02 0.07155653E-01-0.09274105E-04 3 0.05368218E-07-0.01150991E-10 0.07182609E+06 0.05089754E+02 4 CSICL2 40992C 1SI 1CL 2 G 0300.00 4000.00 1500.00 1 0.09603536E+02 0.04212005E-02-0.02008617E-05 0.04653654E-09-0.04174779E-13 2 0.04167197E+06-0.01686119E+03 0.05482765E+02 0.01432904E+00-0.01824531E-03 3 0.01044588E-06-0.02224179E-10 0.04271677E+06 0.03823593E+02 4 CSICL3 40992C 1SI 1CL 3 G 0300.00 4000.00 1500.00 1 0.01250544E+03 0.05339218E-02-0.02588613E-05 0.06075307E-09-0.05497769E-13 2 0.04346089E+04-0.02851950E+03 0.07246579E+02 0.01837148E+00-0.02348583E-03 3 0.01347935E-06-0.02874547E-10 0.01760441E+05-0.02151092E+02 4 CSIH2CL 40992H 2C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01027485E+03 0.01774759E-01-0.03308189E-05-0.01554251E-09 0.07008815E-13 2 0.04915449E+06-0.02589174E+03 0.02180376E+02 0.02405210E+00-0.02551666E-03 3 0.01345591E-06-0.02782039E-10 0.05175432E+06 0.01659754E+03 4 CSIHCL 40992H 1C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.08584251E+02 0.09503299E-02-0.01990512E-05 0.07276089E-11 0.02697011E-13 2 0.05701632E+06-0.01616263E+03 0.04195792E+02 0.01336658E+00-0.01458110E-03 3 0.07822924E-07-0.01632113E-10 0.05839343E+06 0.06755654E+02 4 CSIHCL2 40992H 1C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01133022E+03 0.01200867E-01-0.03112842E-05 0.02565133E-09 0.05146234E-14 2 0.02764986E+06-0.02737920E+03 0.04205701E+02 0.02278870E+00-0.02653546E-03 3 0.01465130E-06-0.03083816E-10 0.02972624E+06 0.09294144E+02 4 DIOXANE 103190C 4H 8O 2 G 0300.00 4000.00 1500.00 1 0.02168170E+03 0.01049644E+00-0.01053878E-04-0.04473945E-08 0.08168288E-12 2 -0.04922005E+06-0.09955139E+03-0.05862900E+02 0.07081444E+00-0.05458695E-03 3 0.02315148E-06-0.04289514E-10-0.03876477E+06 0.05061959E+03 4 E 120186E 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.07453749E+04-0.01173403E+03 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.07453750E+04-0.01173403E+03 4 F 121286F 1 G 0300.00 5000.00 1000.00 1 0.02687459E+02-0.02010358E-02 0.08597957E-06-0.01644974E-09 0.01166160E-13 2 0.08722883E+05 0.03882212E+02 0.02913905E+02-0.07336339E-02 0.05571015E-05 3 -0.02666871E-08 0.08643255E-12 0.08651201E+05 0.02677115E+02 4 F2 121286F 2 G 0300.00 5000.00 1000.00 1 0.04018308E+02 0.06221479E-02-0.02420845E-05 0.04742076E-09-0.03418141E-13 2 -0.01300713E+05 0.01126327E+02 0.02940287E+02 0.03491492E-01-0.02458208E-04 3 0.01837073E-08 0.02850917E-11-0.01010430E+05 0.06694194E+02 4 F2SINH 42489SI 1N 1F 2H 1G 0300.00 3000.00 1000.00 1 0.01004830E+03 0.01983144E-01-0.02703169E-05-0.01767853E-08 0.04444368E-12 2 -0.07739741E+06-0.02303889E+03 0.04951547E+02 0.01329636E+00-0.02098648E-04 3 -0.01007276E-06 0.05552286E-10-0.07597541E+06 0.03690891E+02 4 F3SIN 22790F 3SI 1N 1 G 0300.00 4000.00 1000.00 1 0.01151242E+03 0.01115029E-01-0.01605465E-05-0.05271933E-09 0.01160900E-12 2 -0.01045919E+07-0.02981224E+03 0.06028419E+02 0.01278681E+00-0.01878856E-04 3 -0.09695426E-07 0.05184848E-10-0.01029950E+07-0.08217831E+01 4 FNNF 42489F 2N 2 G 0300.00 3000.00 1000.00 1 0.07255211E+02 0.02274410E-01-0.02793346E-05-0.02203844E-08 0.05359234E-12 2 0.06360353E+05-0.01094248E+03 0.03127143E+02 0.01057134E+00-0.09746112E-05 3 -0.07208357E-07 0.03567978E-10 0.07615831E+05 0.01107465E+03 4 FNO3 121286F 1N 1O 3 G 0300.00 5000.00 1000.00 1 0.09176275E+02 0.04219072E-01-0.01835576E-04 0.03553718E-08-0.02541078E-12 2 -0.02118639E+05-0.01934397E+03 0.02985786E+02 0.02094642E+00-0.01652733E-03 3 0.04318770E-07 0.01660784E-11-0.04237215E+04 0.01266793E+03 4 FO 121286F 1O 1 G 0300.00 5000.00 1000.00 1 0.03913735E+02 0.07210714E-02-0.02796614E-05 0.05337821E-09-0.03720184E-13 2 0.01180141E+06 0.03346368E+02 0.02879578E+02 0.03399121E-01-0.02572855E-04 3 0.07422381E-08-0.04328053E-12 0.01209663E+06 0.08738887E+02 4 FO2 121286F 1O 2 G 0300.00 5000.00 1000.00 1 0.05678971E+02 0.01442455E-01-0.06229546E-05 0.01199612E-08-0.08543416E-13 2 -0.03861836E+04-0.01941812E+02 0.03872542E+02 0.06409974E-01-0.05517785E-04 3 0.02232771E-07-0.03876157E-11 0.01157076E+04 0.07406950E+02 4 FSIN 42489SI 1N 1F 1 G 0300.00 3000.00 1000.00 1 0.06269572E+02 0.06747867E-02-0.01241976E-05-0.04970158E-09 0.01424452E-12 2 0.02533350E+06-0.04201141E+02 0.04269969E+02 0.05298358E-01-0.01103802E-04 3 -0.03962805E-07 0.02282982E-10 0.02587238E+06 0.06215038E+02 4 GA 62987GA 1 G 0300.00 1500.00 0600.00 1 0.02679919E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.03368804E+06 0.06788109E+02 0.02679919E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.03368804E+06 0.06788109E+02 4 GA2H6 62987GA 2H 6 G 0300.00 1500.00 0600.00 1 0.06016247E+02 0.01788370E+00-0.01204229E-05-0.06487881E-07 0.02075367E-10 2 0.01312548E+06-0.05228030E+02-0.03914561E+02 0.04965434E+00 0.07401904E-04 3 -0.01124137E-05 0.08726339E-09 0.01493079E+06 0.04274883E+03 4 GAAS 62987GA 1AS 1 G 0300.00 1500.00 0600.00 1 0.04471149E+02 0.04238449E-02-0.02279405E-05-0.04441172E-10 0.02618952E-12 2 0.04313359E+06 0.06212471E+02 0.03967474E+02 0.02318966E-01-0.01145452E-04 3 -0.03411431E-07 0.03365821E-10 0.04321919E+06 0.08599628E+02 4 GAAS(3,C) 62987GA 3AS 3 G 0300.00 1500.00 0600.00 1 0.01485247E+03 0.02959435E-01-0.07124246E-05-0.05316048E-08 0.01287321E-11 2 0.01191262E+07-0.03514144E+03 0.01470189E+03 0.03827728E-01-0.02945747E-04 3 0.02465370E-07-0.01520598E-10 0.01191496E+07-0.03445955E+03 4 GAAS(3,L) 62987GA 3AS 3 G 0300.00 1500.00 0600.00 1 0.01356850E+03 0.02802435E-01-0.07969918E-05-0.06437098E-08 0.01560255E-11 2 0.01248005E+07-0.01381063E+03 0.01341276E+03 0.03617689E-01-0.02726209E-04 3 0.01877183E-07-0.01259178E-10 0.01248265E+07-0.01309195E+03 4 GAAS(5,C) 62987GA 5AS 5 G 0300.00 1500.00 0600.00 1 0.02573672E+03 0.05523956E-01-0.01203468E-04-0.01043743E-07 0.02528931E-11 2 0.01721381E+07-0.08254488E+03 0.02546512E+03 0.07014337E-01-0.04881356E-04 3 0.03825484E-07-0.02450420E-10 0.01721819E+07-0.08130267E+03 4 GAAS(5,L) 62987GA 5AS 5 G 0300.00 1500.00 0600.00 1 0.03045793E+03 0.05403152E-01-0.01649477E-04-0.09968842E-08 0.02413154E-11 2 0.02020691E+07-0.07768010E+03 0.03015255E+03 0.07234394E-01-0.06497994E-04 3 0.05559585E-07-0.03339653E-10 0.02021151E+07-0.07630866E+03 4 GAET 62987GA 1C 2H 5 G 0300.00 1500.00 0600.00 1 0.05932970E+02 0.01342454E+00 0.04110518E-05-0.04286069E-07 0.01238710E-10 2 0.06504863E+05 0.03090838E+02 0.01846399E+02 0.02592050E+00 0.05522394E-04 3 -0.04977960E-06 0.03654362E-09 0.07264445E+05 0.02294639E+03 4 GAET2 62987GA 1C 4H 10 G 0300.00 1500.00 0600.00 1 0.07213832E+02 0.03055228E+00 0.01249451E-04-0.09990274E-07 0.02881966E-10 2 -0.01392119E+05-0.07795098E+00-0.02162930E+02 0.05892512E+00 0.01447145E-03 3 -0.01168602E-05 0.08526654E-09 0.03561841E+04 0.04552626E+03 4 GAET3 62987GA 1C 6H 15 G 0300.00 1500.00 0600.00 1 0.08436453E+02 0.04804950E+00 0.02119157E-04-0.01581685E-06 0.04571178E-10 2 -0.01346996E+06-0.06196490E+02-0.06544289E+02 0.09332246E+00 0.02364121E-03 3 -0.01874104E-05 0.01367721E-08-0.01067659E+06 0.06666796E+03 4 GAH 62987GA 1H 1 G 0300.00 1500.00 0600.00 1 0.03232142E+02 0.01343247E-01-0.04325499E-06-0.02791841E-08 0.04973590E-12 2 0.02656060E+06 0.05947896E+02 0.03524579E+02 0.03386213E-02-0.02064014E-05 3 0.03220999E-07-0.02936132E-10 0.02651074E+06 0.04554067E+02 4 GAH2 62987GA 1H 2 G 0300.00 1500.00 0600.00 1 0.03762385E+02 0.03210792E-01 0.02180096E-06-0.08908393E-08 0.02219063E-11 2 0.01936647E+06 0.05783398E+02 0.03559710E+02 0.03676742E-01 0.06484499E-05 3 -0.03109349E-07 0.01585414E-10 0.01940976E+06 0.06803082E+02 4 GAH3 62987GA 1H 3 G 0300.00 1500.00 0600.00 1 0.03345476E+02 0.06399313E-01 0.01122996E-05-0.02065900E-07 0.05780202E-11 2 0.01228185E+06 0.06394842E+02 0.01726154E+02 0.01124739E+00 0.02447527E-04 3 -0.02026314E-06 0.01447000E-09 0.01258620E+06 0.01428445E+03 4 GAME 62987GA 1C 1H 3 G 0300.00 1500.00 0600.00 1 0.04809857E+02 0.06824207E-01 0.02258235E-05-0.02018341E-07 0.05736453E-11 2 0.07558677E+05 0.02595904E+02 0.03054537E+02 0.01218640E+00 0.02332213E-04 3 -0.02121866E-06 0.01544226E-09 0.07885869E+05 0.01112878E+03 4 GAME2 62987GA 1C 2H 6 G 0300.00 1500.00 0600.00 1 0.07068373E+02 0.01421602E+00 0.05120694E-05-0.04421986E-07 0.01309641E-10 2 0.05453790E+05-0.04173960E+02 0.02257655E+02 0.02916446E+00 0.05669861E-04 3 -0.05709755E-06 0.04268905E-09 0.06341297E+05 0.01915435E+03 4 GAME3 62987GA 1C 3H 9 G 0300.00 1500.00 0600.00 1 0.08410636E+02 0.02262803E+00 0.01043019E-04-0.07049611E-07 0.02015308E-10 2 -0.09087271E+05-0.01072250E+03 0.02120239E+02 0.04161029E+00 0.09959505E-04 3 -0.07846792E-06 0.05693396E-09-0.07911968E+05 0.01988516E+03 4 H 120186H 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.02547163E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.02547163E+06-0.04601176E+01 4 H(CH3)SICH2 61991H 6C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01254527E+03 0.07143719E-01-0.01146987E-05-0.08100963E-08 0.01568740E-11 2 0.07723628E+05-0.04075435E+03 0.01206249E+02 0.03587271E+00-0.02971970E-03 3 0.01379675E-06-0.02695736E-10 0.01156328E+06 0.01956017E+03 4 H+ 120186H 1E -1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.01840334E+07-0.01153862E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.01840334E+07-0.01153862E+02 4 H- 120186H 1E 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.01596104E+06-0.01152449E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.01596104E+06-0.01152449E+02 4 H2 121286H 2 G 0300.00 5000.00 1000.00 1 0.02991423E+02 0.07000644E-02-0.05633829E-06-0.09231578E-10 0.01582752E-13 2 -0.08350340E+04-0.01355110E+02 0.03298124E+02 0.08249442E-02-0.08143015E-05 3 -0.09475434E-09 0.04134872E-11-0.01012521E+05-0.03294094E+02 4 H2ALME 62987AL 1C 1H 5 G 0300.00 1500.00 0600.00 1 0.04898410E+02 0.01358223E+00 0.02611459E-05-0.04575170E-07 0.01384802E-10 2 0.08743072E+04-0.01113117E+02-0.06283259E+01 0.03089531E+00 0.05774090E-04 3 -0.06488033E-06 0.04907111E-09 0.01889334E+05 0.02565779E+03 4 H2ASME 62987AS 1C 1H 5 G 0300.00 1500.00 0600.00 1 0.05686213E+02 0.02154422E+00 0.08185248E-05-0.07069951E-07 0.02101522E-10 2 0.09331084E+05-0.06513957E+02-0.02113506E+02 0.04564229E+00 0.09983227E-04 3 -0.09399697E-06 0.07014021E-09 0.01077170E+06 0.03132611E+03 4 H2C4O 120189H 2C 4O 1 G 0300.00 4000.00 1000.00 1 0.01026888E+03 0.04896164E-01-0.04885081E-05-0.02708566E-08 0.05107013E-12 2 0.02346903E+06-0.02815985E+03 0.04810971E+02 0.01313999E+00 0.09865073E-05 3 -0.06120720E-07 0.01640003E-10 0.02545803E+06 0.02113424E+02 4 H2CCC 102093H 2C 3 G 0300.00 4000.00 1400.00 1 0.08266525E+02 0.02728619E-01-0.02160829E-05-0.01515161E-08 0.02641695E-12 2 0.07757192E+06-0.01864937E+03 0.04212193E+02 0.08954521E-01-0.01050721E-04 3 -0.02578513E-07 0.09722836E-11 0.07922349E+06 0.04134299E+02 4 H2CCC(S) 102093H 2C 3 G 0300.00 4000.00 1400.00 1 0.07904213E+02 0.02907464E-01-0.02219731E-05-0.01620844E-08 0.02796013E-12 2 0.06385167E+06-0.01810882E+03 0.03794178E+02 0.08761049E-01-0.07975878E-05 3 -0.02308045E-07 0.07911151E-11 0.06563580E+06 0.05264196E+02 4 H2CCCCCH 101993H 3C 5 G 0300.00 4000.00 1400.00 1 0.01440736E+03 0.04424058E-01-0.03618245E-05-0.02456408E-08 0.04327859E-12 2 0.05896103E+06-0.04775145E+03 0.07441421E+02 0.01585165E+00-0.02219895E-04 3 -0.04928038E-07 0.01984559E-10 0.06162266E+06-0.09047891E+02 4 H2CCCCH2 82489C 4H 4 G 0300.00 4000.00 1000.00 1 0.01062083E+03 0.07199370E-01-0.06806234E-05-0.04021185E-08 0.07378498E-12 2 0.03358798E+06-0.03193583E+03 0.03849007E+02 0.01713169E+00 0.01644270E-04 3 -0.07761590E-07 0.01947860E-10 0.03608372E+06 0.05732121E+02 4 H2CCCH 82489C 3H 3 G 0300.00 4000.00 1000.00 1 0.08831047E+02 0.04357195E-01-0.04109067E-05-0.02368723E-08 0.04376520E-12 2 0.03847420E+06-0.02177919E+03 0.04754200E+02 0.01108028E+00 0.02793323E-05 3 -0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4 H2CCCLO 53090C 2H 2O 1CL 1G 0300.00 5000.00 1500.00 1 0.01240462E+03 0.02067658E-01-0.03889952E-05-0.03138121E-10 0.04625008E-13 2 -0.01114503E+06-0.03928723E+03 0.01680422E+02 0.03020642E+00-0.03234256E-03 3 0.01779343E-06-0.03877221E-10-0.07395297E+05 0.01777265E+03 4 H2CCH(SICL2H) 40992H 4C 2SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01680247E+03 0.04516342E-01-0.05794312E-05-0.01367868E-08 0.02833862E-12 2 -0.04037858E+06-0.05763375E+03 0.03640801E+02 0.03803764E+00-0.03641732E-03 3 0.01855101E-06-0.03834642E-10-0.03581475E+06 0.01252145E+03 4 H2CCH2OH 103190C 2H 5O 1 G 0300.00 4000.00 1500.00 1 0.01144956E+03 0.05249185E-01-0.04887850E-05-0.02243250E-08 0.03973360E-12 2 -0.07554972E+05-0.03426083E+03 0.01304406E+02 0.02873214E+00-0.02387448E-03 3 0.01166988E-06-0.02450027E-10-0.03718933E+05 0.02078756E+03 4 H2CCHO 103190C 2H 3O 1 G 0300.00 4000.00 1500.00 1 0.09710060E+02 0.03854966E-01-0.04677825E-05-0.01505179E-08 0.02941428E-12 2 -0.02692492E+05-0.02810566E+03 0.02802205E+01 0.02740311E+00-0.02554683E-03 3 0.01306679E-06-0.02750425E-10 0.06682648E+04 0.02239731E+03 4 H2CCHSI 61991H 3C 2SI 1 G 0300.00 2500.00 1500.00 1 0.09386889E+02 0.03941784E-01-0.01316150E-05-0.04081553E-08 0.07971026E-12 2 0.04528924E+06-0.02340680E+03 0.01645904E+02 0.02461474E+00-0.02252401E-03 3 0.01105892E-06-0.02209069E-10 0.04779814E+06 0.01738303E+03 4 H2CCHSIH 61991H 4C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01039415E+03 0.04987864E-01-0.01480904E-05-0.05650110E-08 0.01139073E-11 2 0.03263919E+06-0.02930385E+03 0.01989225E+02 0.02637566E+00-0.02197547E-03 3 0.09982490E-07-0.01893595E-10 0.03544082E+06 0.01531216E+03 4 H2CCHSIH2 61991H 5C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01289871E+03 0.05366252E-01-0.02345064E-05-0.05622057E-08 0.01143224E-11 2 0.02373919E+06-0.04346106E+03 0.04606628E+01 0.03824847E+00-0.03490747E-03 3 0.01656684E-06-0.03180820E-10 0.02773639E+06 0.02208512E+03 4 H2CCHSIH3 61991H 6C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01249653E+03 0.07666553E-01-0.02075339E-05-0.09569749E-08 0.01987112E-11 2 0.04799029E+05-0.04174850E+03 0.07686183E+01 0.03576322E+00-0.02634364E-03 3 0.01032868E-06-0.01717329E-10 0.08811836E+05 0.02100703E+03 4 H2CLSICH3 40992H 5C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01354344E+03 0.04577293E-01-0.04988032E-05-0.01758807E-08 0.03311232E-12 2 -0.03126783E+06-0.04541432E+03 0.02142669E+02 0.03103477E+00-0.02660368E-03 3 0.01286599E-06-0.02646554E-10-0.02699973E+06 0.01636317E+03 4 H2CLSISICL3 40992H 2SI 2CL 4 G 0300.00 4000.00 1500.00 1 0.01871701E+03 0.01924360E-01-0.04472779E-05 0.02003132E-09 0.03268818E-13 2 -0.08047111E+06-0.05817685E+03 0.08945602E+02 0.03068227E+00-0.03483212E-03 3 0.01910354E-06-0.04027623E-10-0.07751434E+06-0.07537633E+02 4 H2CN 41687H 2C 1N 1 G 0300.00 4000.00 1000.00 1 0.05209703E+02 0.02969291E-01-0.02855589E-05-0.01635550E-08 0.03043259E-12 2 0.02767711E+06-0.04444478E+02 0.02851661E+02 0.05695233E-01 0.01071140E-04 3 -0.01622612E-07-0.02351108E-11 0.02863782E+06 0.08992751E+02 4 H2CNCH2 103190C 2H 4N 1 G 0300.00 4000.00 1500.00 1 0.01065385E+03 0.05191287E-01-0.05816522E-05-0.02206912E-08 0.04101341E-12 2 0.02345063E+06-0.03469895E+03-0.01203076E+01 0.03225369E+00-0.02968723E-03 3 0.01527290E-06-0.03242500E-10 0.02728820E+06 0.02297042E+03 4 H2CNCH2O 103190C 2H 4N 1O 1G 0300.00 4000.00 1500.00 1 0.01327652E+03 0.04830938E-01-0.04858949E-05-0.02009495E-08 0.03640181E-12 2 0.01624962E+06-0.04713094E+03-0.01978522E+01 0.03341279E+00-0.02432022E-03 3 0.09438643E-07-0.01604050E-10 0.02141154E+06 0.02658265E+03 4 H2CNCHO 103190C 2H 3N 1O 1G 0300.00 4000.00 1500.00 1 0.01196792E+03 0.03915428E-01-0.03860933E-05-0.01696877E-08 0.03041050E-12 2 -0.05902236E+05-0.03958545E+03 0.01096066E+02 0.02577215E+00-0.01711630E-03 3 0.05880104E-07-0.08956774E-11-0.01612063E+05 0.02032528E+03 4 H2CNH 41687C 1H 3N 1 G 0300.00 4000.00 1000.00 1 0.05221589E+02 0.04748526E-01-0.04179159E-05-0.02606612E-08 0.04703140E-12 2 0.08657219E+05-0.04500776E+02 0.02365879E+02 0.06780570E-01 0.02423000E-04 3 -0.06157824E-08-0.01615097E-10 0.09971141E+05 0.01230718E+03 4 H2CNNHO 103190C 1H 3N 2O 1G 0300.00 4000.00 1500.00 1 0.01157754E+03 0.04489180E-01-0.05033233E-05-0.01651066E-08 0.03069139E-12 2 0.01986783E+06-0.03656958E+03 0.05954945E+01 0.03239559E+00-0.02993966E-03 3 0.01489054E-06-0.03022863E-10 0.02364485E+06 0.02192790E+03 4 H2CNNO 103190C 1H 2N 2O 1G 0300.00 4000.00 1500.00 1 0.01016234E+03 0.03065936E-01-0.03082820E-05-0.01194424E-08 0.02169867E-12 2 0.02494088E+06-0.02762275E+03 0.02498334E+02 0.01993009E+00-0.01557879E-03 3 0.06838956E-07-0.01313250E-10 0.02786476E+06 0.01417025E+03 4 H2CNNO2 41687H 2C 1N 2O 2G 0300.00 4000.00 1000.00 1 0.01140794E+03 0.04564542E-01-0.04600304E-05-0.02513539E-08 0.04782211E-12 2 0.01242142E+06-0.03165238E+03 0.03534317E+02 0.01811272E+00 0.02394018E-05 3 -0.01080024E-06 0.04222725E-10 0.01509006E+06 0.01131138E+03 4 H2CNO 103190C 1H 2N 1O 1G 0300.00 4000.00 1500.00 1 0.08485639E+02 0.02633277E-01-0.03017498E-05-0.08341916E-09 0.01593977E-12 2 0.01716434E+06-0.02052156E+03 0.01045856E+02 0.02126494E+00-0.01962754E-03 3 0.09659592E-07-0.01941069E-10 0.01974611E+06 0.01919718E+03 4 H2CNO2 103190C 1H 2N 1O 2G 0300.00 4000.00 1500.00 1 0.01127481E+03 0.02584711E-01-0.03934331E-05-0.05614969E-09 0.01392400E-12 2 0.01360470E+06-0.03461951E+03 0.01165696E+02 0.02890490E+00-0.02817663E-03 3 0.01387569E-06-0.02727595E-10 0.01694546E+06 0.01888293E+03 4 H2CONO 103190C 1H 2N 1O 2G 0300.00 4000.00 1500.00 1 0.01075754E+03 0.02983288E-01-0.04123564E-05-0.08096724E-09 0.01720195E-12 2 0.01230253E+06-0.02976009E+03 0.02120026E+02 0.02709056E+00-0.02799616E-03 3 0.01479145E-06-0.03074997E-10 0.01504327E+06 0.01546092E+03 4 H2GAET 62987GA 1C 2H 7 G 0300.00 1500.00 0600.00 1 0.07187273E+02 0.01867211E+00 0.06156157E-05-0.06027764E-07 0.01797524E-10 2 -0.04232757E+05-0.04686699E+02 0.04124020E+01 0.03972972E+00 0.07979140E-04 3 -0.08059234E-06 0.06040387E-09-0.02983932E+05 0.02816148E+03 4 H2GAME 62987GA 1C 1H 5 G 0300.00 1500.00 0600.00 1 0.05831604E+02 0.01222872E+00 0.03033669E-05-0.03956941E-07 0.01225452E-10 2 0.05189255E+05-0.04446614E+02 0.05251130E+01 0.02904695E+00 0.04844148E-04 3 -0.06097646E-06 0.04672763E-09 0.06158712E+05 0.02122149E+03 4 H2NF 42489H 2N 1F 1 G 0300.00 3000.00 1000.00 1 0.04143658E+02 0.03805135E-01-0.02771153E-05-0.03589717E-08 0.07589549E-12 2 -0.04891486E+05 0.02309362E+02 0.02597863E+02 0.05882104E-01 0.04938351E-05 3 -0.01948600E-07 0.03634003E-11-0.04301253E+05 0.01098289E+03 4 H2NNO 103190H 2N 2O 1 G 0300.00 4000.00 1500.00 1 0.07759737E+02 0.03025701E-01-0.02888916E-05-0.01262990E-08 0.02195026E-12 2 0.05894193E+05-0.01647713E+03 0.02088916E+02 0.01684997E+00-0.01428977E-03 3 0.06830147E-07-0.01368985E-10 0.07907340E+05 0.01394381E+03 4 H2NO 102290H 2N 1O 1 G 0300.00 4000.00 1500.00 1 0.05673346E+02 0.02298837E-01-0.01774446E-05-0.01103482E-08 0.01859762E-12 2 0.05569325E+05-0.06153540E+02 0.02530590E+02 0.08596035E-01-0.05471030E-04 3 0.02276249E-07-0.04648073E-11 0.06868030E+05 0.01126651E+03 4 H2NOH 103190H 3N 1O 1 G 0300.00 4000.00 1500.00 1 0.06764633E+02 0.03047036E-01-0.02777798E-05-0.01250487E-08 0.02191094E-12 2 -0.09026701E+05-0.01269845E+03 0.01407003E+02 0.01658498E+00-0.01463594E-03 3 0.07318354E-07-0.01511897E-10-0.07158596E+05 0.01589649E+03 4 H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 1 0.02672146E+02 0.03056293E-01-0.08730260E-05 0.01200996E-08-0.06391618E-13 2 -0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3 0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590233E+02 4 H2O(L) 120186H 2O 1 L 0273.15 1000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.01271278E+03-0.01766279E+00-0.02255666E-03 3 0.02082091E-05-0.02407861E-08-0.03748320E+06-0.05911535E+03 4 H2O(S) 120186H 2O 1 S 0200.00 0273.15 0273.15 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-0.03926933E+00 0.01692042E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.03594958E+06 0.05693378E+01 4 H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 1 0.04573167E+02 0.04336136E-01-0.01474689E-04 0.02348904E-08-0.01431654E-12 2 -0.01800696E+06 0.05011370E+01 0.03388754E+02 0.06569226E-01-0.01485013E-05 3 -0.04625806E-07 0.02471515E-10-0.01766315E+06 0.06785363E+02 4 H2S 121286H 2S 1 G 0300.00 5000.00 1000.00 1 0.02883147E+02 0.03827835E-01-0.01423398E-04 0.02497999E-08-0.01660273E-12 2 -0.03480743E+05 0.07258162E+02 0.03071029E+02 0.05578261E-01-0.01030967E-03 3 0.01201953E-06-0.04838370E-10-0.03559826E+05 0.05935226E+02 4 H2SI(CH3)2 61991H 8C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01362000E+03 0.01024457E+00-0.01528107E-05-0.01329179E-07 0.02717974E-11 2 -0.01781386E+06-0.04695844E+03 0.02005893E+02 0.03638380E+00-0.02273374E-03 3 0.07691266E-07-0.01156681E-10-0.01364280E+06 0.01583265E+03 4 H2SI(CH3)CH2 61991H 7C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01388829E+03 0.07937538E-01-0.01559644E-05-0.09324826E-08 0.01847251E-11 2 0.06767195E+05-0.04464997E+03 0.01980449E+02 0.03727036E+00-0.02944759E-03 3 0.01312558E-06-0.02507859E-10 0.01087973E+06 0.01898102E+03 4 H2SI(NH2)2 22790SI 1H 6N 2 G 0300.00 4000.00 1000.00 1 0.01302179E+03 0.06465444E-01-0.05816746E-05-0.03484493E-08 0.06340675E-12 2 -0.02357071E+06-0.04132570E+03 0.05615307E+02 0.02079854E+00-0.09999530E-05 3 -0.01288525E-06 0.06091866E-10-0.02126283E+06-0.01615658E+02 4 H2SIC 61991H 2C 1SI 1 G 0300.00 2500.00 1500.00 1 0.07319671E+02 0.01729952E-01-0.01346466E-05-0.01450487E-08 0.03000643E-12 2 0.08125478E+06-0.01320432E+03 0.02408167E+02 0.01437372E+00-0.01331203E-03 3 0.06387472E-07-0.01244523E-10 0.08289031E+06 0.01283748E+03 4 H2SICCH 61991H 3C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01091422E+03 0.03001577E-01-0.01622344E-05-0.02466767E-08 0.04595260E-12 2 0.04137118E+06-0.03153165E+03 0.02952641E+02 0.02407857E+00-0.02313898E-03 3 0.01172227E-06-0.02393835E-10 0.04400800E+06 0.01054929E+03 4 H2SICH 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1 0.08489276E+02 0.02348812E-01-0.01091163E-05-0.02027972E-08 0.03759264E-12 2 0.04973382E+06-0.01845097E+03 0.03442743E+02 0.01542521E+00-0.01429096E-03 3 0.07252204E-07-0.01507009E-10 0.05145786E+06 0.08363421E+02 4 H2SICH2 61991H 4C 1SI 1 G 0300.00 2500.00 1500.00 1 0.09303939E+02 0.04006038E-01-0.09702324E-06-0.03997739E-08 0.07350215E-12 2 0.01649066E+06-0.02623845E+03 0.01049782E+02 0.02562277E+00-0.02324392E-03 3 0.01142315E-06-0.02295441E-10 0.01922778E+06 0.01743860E+03 4 H2SICH3 61991H 5C 1SI 1 G 0300.00 2500.00 1500.00 1 0.08991115E+02 0.06006339E-01-0.01118591E-05-0.07745983E-08 0.01594429E-11 2 0.01270233E+06-0.02218700E+03 0.02094419E+02 0.02127010E+00-0.01294390E-03 3 0.04156964E-07-0.05854213E-11 0.01520143E+06 0.01518517E+03 4 H2SIN 22790H 2SI 1N 1 G 0300.00 4000.00 1000.00 1 0.06826533E+02 0.02125460E-01-0.02343132E-05-0.01166339E-08 0.02277273E-12 2 0.07253673E+06-0.01052162E+03 0.03549344E+02 0.07311005E-01 0.03249026E-05 3 -0.03682945E-07 0.01121511E-10 0.07370656E+06 0.07565329E+02 4 H2SINH 42489SI 1N 1H 3 G 0300.00 3000.00 1000.00 1 0.06588295E+02 0.04903194E-01-0.04944720E-05-0.05014630E-08 0.01139470E-11 2 0.01809794E+06-0.09522970E+02 0.02822196E+02 0.01245518E+00-0.08350819E-05 3 -0.07411814E-07 0.03579019E-10 0.01923616E+06 0.01054783E+03 4 H2SINH2 42489SI 1N 1H 4 G 0300.00 3000.00 1000.00 1 0.07392047E+02 0.05476841E-01-0.04453276E-05-0.05236661E-08 0.01138390E-11 2 0.01136858E+06-0.01138050E+03 0.04053223E+02 0.01182231E+00-0.04348128E-05 3 -0.06225818E-07 0.02798829E-10 0.01241971E+06 0.06562033E+02 4 H2SINH3 121386SI 1H 5N 1 G 0300.00 4000.00 1000.00 1 0.08711392E+02 0.05909106E-01-0.05436615E-05-0.03248350E-08 0.05960257E-12 2 0.08441694E+05-0.01933470E+03 0.04269730E+02 0.01125224E+00 0.01951722E-04 3 -0.03578373E-07-0.08372202E-12 0.01022204E+06 0.05876736E+02 4 H2SISIH2 42489SI 2H 4 G 0300.00 3000.00 1000.00 1 0.08986817E+02 0.05405047E-01-0.05214022E-05-0.05313742E-08 0.01188727E-11 2 0.02832748E+06-0.02004478E+03 0.05133186E+02 0.01252855E+00-0.04620421E-05 3 -0.06606075E-07 0.02864345E-10 0.02956915E+06 0.07605133E+01 4 H3ASGAET3 62987AS 1GA 1C 6H 18G 0300.00 1500.00 0600.00 1 0.08508501E+02 0.05632369E+00 0.02524140E-04-0.01861451E-06 0.05372403E-10 2 -0.01085517E+06-0.03399858E+02-0.08974745E+02 0.01090516E+01 0.02811457E-03 3 -0.02195513E-05 0.01599734E-08-0.07592761E+05 0.08165459E+03 4 H3ASGAME3 62987AS 1GA 1C 3H 12G 0300.00 1500.00 0600.00 1 0.01125499E+03 0.03159753E+00 0.01177904E-04-0.01013352E-06 0.02947356E-10 2 -0.07280344E+05-0.02238730E+03 0.01267161E+02 0.06214586E+00 0.01385631E-03 3 -0.01220044E-05 0.08982019E-09-0.05425619E+05 0.02613306E+03 4 H3CONHO 103190C 1H 4N 1O 2G 0300.00 4000.00 1500.00 1 0.01249270E+03 0.04773900E-01-0.04717255E-05-0.01987935E-08 0.03599460E-12 2 -0.02354754E+05-0.03945442E+03 0.01930733E+02 0.02865910E+00-0.02313063E-03 3 0.01068402E-06-0.02139376E-10 0.01638891E+05 0.01796108E+03 4 H3SIC 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1 0.08536022E+02 0.02944748E-01-0.01752614E-05-0.03061316E-08 0.06463710E-12 2 0.07066730E+06-0.02041360E+03 0.01037017E+02 0.02192253E+00-0.01926062E-03 3 0.08725014E-07-0.01615505E-10 0.07315849E+06 0.01939904E+03 4 H3SICCH 61991H 4C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01193845E+03 0.04298239E-01-0.01882154E-05-0.04212272E-08 0.08245783E-12 2 0.02161639E+06-0.03978125E+03 0.01692389E+02 0.03078862E+00-0.02808630E-03 3 0.01359918E-06-0.02690423E-10 0.02503587E+06 0.01453670E+03 4 H3SICH 61991H 4C 1SI 1 G 0300.00 2500.00 1500.00 1 0.09747808E+02 0.03532863E-01-0.01540271E-05-0.03539077E-08 0.06992248E-12 2 0.04253036E+06-0.02504347E+03 0.01710027E+02 0.02413212E+00-0.02164005E-03 3 0.01035470E-06-0.02035579E-10 0.04522928E+06 0.01762908E+03 4 H3SICH2 61991H 5C 1SI 1 G 0300.00 2500.00 1500.00 1 0.01050164E+03 0.04907525E-01-0.01523178E-05-0.05436598E-08 0.01082455E-11 2 0.01632252E+06-0.02911264E+03 0.01199673E+02 0.02828259E+00-0.02394311E-03 3 0.01103518E-06-0.02125819E-10 0.01948167E+06 0.02041804E+03 4 H3SICH3 61991H 6C 1SI 1 G 0300.00 2500.00 1500.00 1 0.01022214E+03 0.07221275E-01-0.01482544E-05-0.09419140E-08 0.01956175E-11 2 -0.08301660E+05-0.03163487E+03 0.01240228E+02 0.02729962E+00-0.01707597E-03 3 0.05502474E-07-0.07521465E-11-0.05090007E+05 0.01692759E+03 4 H3SIN 22790H 3SI 1N 1 G 0300.00 4000.00 1000.00 1 0.07964213E+02 0.03355633E-01-0.03579695E-05-0.01889818E-08 0.03650912E-12 2 0.01148697E+07-0.01924110E+03 0.02790629E+02 0.01134566E+00 0.08321879E-05 3 -0.05845045E-07 0.01685969E-10 0.01167357E+07 0.09384630E+02 4 H3SINH 42489SI 1N 1H 4 G 0300.00 3000.00 1000.00 1 0.07697340E+02 0.05657943E-01-0.05209306E-05-0.05617966E-08 0.01263502E-11 2 0.02282005E+06-0.01330379E+03 0.02778390E+02 0.01510711E+00-0.06734261E-05 3 -0.08928515E-07 0.04115347E-10 0.02435913E+06 0.01309386E+03 4 H3SISIH 111191H 4SI 2 G 0300.00 4000.00 1500.00 1 0.01127202E+03 0.02538145E-01-0.02998472E-05-0.09465367E-09 0.01855053E-12 2 0.03297169E+06-0.03264598E+03 0.03698707E+02 0.01870180E+00-0.01430704E-03 3 0.06005836E-07-0.01116293E-10 0.03590825E+06 0.08825191E+02 4 H3SISIH3 42489SI 2H 6 G 0300.00 3000.00 1000.00 1 0.01068273E+03 0.08221416E-01-0.08096035E-05-0.08337975E-08 0.01908205E-11 2 0.05316920E+05-0.03082188E+03 0.03898290E+02 0.01977415E+00 0.01791014E-05 3 -0.01033168E-06 0.03931699E-10 0.07621719E+05 0.06227022E+02 4 HALME 62987AL 1C 1H 4 G 0300.00 1500.00 0600.00 1 0.04812273E+02 0.01029645E+00 0.02582808E-05-0.03323597E-07 0.09884584E-11 2 0.01176673E+06 0.09557062E+01 0.01118789E+02 0.02180038E+00 0.04120785E-04 3 -0.04366690E-06 0.03273825E-09 0.01244736E+06 0.01886107E+03 4 HALME2 62987AL 1C 2H 7 G 0300.00 1500.00 0600.00 1 0.05705172E+02 0.01924317E+00 0.06377855E-05-0.06346800E-07 0.01896800E-10 2 -0.06049865E+05-0.06331378E+01-0.01494261E+02 0.04158568E+00 0.08686772E-04 3 -0.08604142E-06 0.06447653E-09-0.04722517E+05 0.03427725E+03 4 HASALME 62987AS 1AL 1C 1H 4G 0300.00 1500.00 0600.00 1 0.06956539E+02 0.01061278E+00 0.02440154E-05-0.03297737E-07 0.01020004E-10 2 0.02582506E+06-0.08625792E+01 0.02544859E+02 0.02465795E+00 0.03677808E-04 3 -0.05008894E-06 0.03848384E-09 0.02663010E+06 0.02046859E+03 4 HASGAET 62987AS 1GA 1C 2H 6G 0300.00 1500.00 0600.00 1 0.06336445E+02 0.02340603E+00 0.09066638E-05-0.07519059E-07 0.01828115E-10 2 0.03184605E+06 0.05812180E+02 0.05642724E+02 0.02296739E+00 0.01094867E-03 3 -0.02449038E-06 0.09602701E-10 0.03204718E+06 0.09675533E+02 4 HASGAME 62987AS 1GA 1C 1H 4G 0300.00 1500.00 0600.00 1 0.07507970E+02 0.09277900E-01 0.01891932E-05-0.02769887E-07 0.07996070E-11 2 0.03253908E+06-0.01422608E+02 0.04859127E+02 0.01750423E+00 0.02831996E-04 3 -0.03107937E-06 0.02299468E-09 0.03302941E+06 0.01142952E+03 4 HASME 62987AS 1C 1H 4 G 0300.00 1500.00 0600.00 1 0.05753261E+02 0.01841813E+00 0.07493313E-05-0.05919917E-07 0.01726247E-10 2 0.01880057E+06-0.05360325E+02-0.01575095E+01 0.03649094E+00 0.08332940E-04 3 -0.07234666E-06 0.05330928E-09 0.01989792E+06 0.02335316E+03 4 HASME2 62987AS 1C 2H 7 G 0300.00 1500.00 0600.00 1 0.05850437E+02 0.01841766E+00 0.08066845E-05-0.05868715E-07 0.01726428E-10 2 0.06450535E+05 0.03909152E+01-0.02908405E+01 0.03729577E+00 0.08335855E-04 3 -0.07455611E-06 0.05527881E-09 0.07587766E+05 0.03020451E+03 4 HCCCHCCH H 3C 5 G 0300.00 4000.00 1384.00 1 1.26570907E 01 8.02394926E-03-2.78792882E-06 4.37303159E-10-2.55500155E-14 2 6.15294797E 04-3.88010590E 01 6.72034852E 00 2.46522386E-02-2.22400884E-05 3 1.11793173E-08-2.28620268E-12 6.34525375E 04-7.66462218E 00 4 HCCCL 40992H 1C 2CL 1 G 0300.00 4000.00 1500.00 1 0.07743241E+02 0.01618655E-01-0.02465935E-05-0.02909336E-09 0.07522752E-13 2 0.02472494E+06-0.01686593E+03 0.02969338E+02 0.01583152E+00-0.01787078E-03 3 0.01017728E-06-0.02231985E-10 0.02620733E+06 0.07906791E+02 4 HCCHCCH 82489C 4H 3 G 0300.00 4000.00 1000.00 1 0.01075274E+03 0.05381153E-01-0.05549638E-05-0.03052266E-08 0.05761740E-12 2 0.06121419E+06-0.02973025E+03 0.04153882E+02 0.01726287E+00-0.02389374E-05 3 -0.01018700E-06 0.04340505E-10 0.06338071E+06 0.06036507E+02 4 HCCO 32387H 1C 2O 1 G 0300.00 4000.00 1000.00 1 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 2 0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268283E-05 3 -0.01482095E-07 0.02250742E-11 0.01965892E+06 0.04818439E+01 4 HCCOH 32387H 2C 2O 1 G 0300.00 4000.00 1000.00 1 0.07328324E+02 0.03336416E-01-0.03024705E-05-0.01781106E-08 0.03245168E-12 2 0.07598258E+05-0.01401214E+03 0.03899465E+02 0.09701075E-01-0.03119309E-05 3 -0.05537732E-07 0.02465732E-10 0.08701190E+05 0.04491875E+02 4 HCCSICL2H 40992H 2C 2SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01480501E+03 0.02600965E-01-0.04631204E-05-0.02401379E-09 0.09812397E-13 2 -0.02163059E+06-0.04610236E+03 0.04846840E+02 0.03181717E+00-0.03572068E-03 3 0.01983339E-06-0.04248036E-10-0.01856223E+06 0.05613645E+02 4 HCL 42189CL 1H 1 G 0300.00 5000.00 1000.00 1 0.02755335E+02 0.01473581E-01-0.04971254E-05 0.08108658E-09-0.05072063E-13 2 -0.01191806E+06 0.06515116E+02 0.03338534E+02 0.01268207E-01-0.03666917E-04 3 0.04703992E-07-0.01836011E-10-0.01213151E+06 0.03193555E+02 4 HCL2SICH3 40992H 4C 1SI 1CL 2G 0300.00 4000.00 1500.00 1 0.01459366E+03 0.04006211E-01-0.04818700E-05-0.01336338E-08 0.02648821E-12 2 -0.05346984E+06-0.04689795E+03 0.04155299E+02 0.02995026E+00-0.02799546E-03 3 0.01433046E-06-0.03013208E-10-0.04973616E+06 0.09051815E+02 4 HCL2SISICL2H 40992H 2SI 2CL 4 G 0300.00 4000.00 1500.00 1 0.01863092E+03 0.01991871E-01-0.04703153E-05 0.02393378E-09 0.02997096E-13 2 -0.07983306E+06-0.05812192E+03 0.08215700E+02 0.03290751E+00-0.03764294E-03 3 0.02071053E-06-0.04369767E-10-0.07671145E+06-0.04245506E+02 4 HCLCCCLO 40992H 1C 2 O 1CL 2G 0300.00 4000.00 1500.00 1 0.01282877E+03 0.02295631E-01-0.04601887E-05-0.02941710E-09 0.01148412E-12 2 -0.01481358E+06-0.03708152E+03 0.03082763E+02 0.03013466E+00-0.03298082E-03 3 0.01776354E-06-0.03720337E-10-0.01177928E+06 0.01372635E+03 4 HCLCCHO 53090C 2H 2O 1CL 1G 0300.00 5000.00 1500.00 1 0.01228193E+03 0.02136310E-01-0.03756942E-05-0.01347374E-09 0.05834907E-13 2 -0.08447210E+05-0.03860056E+03 0.01544662E+02 0.02882431E+00-0.02921314E-03 3 0.01557811E-06-0.03358528E-10-0.04546644E+05 0.01905110E+03 4 HCLSI(CH3)2 40992H 7C 2SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01779932E+03 0.06864497E-01-0.06677913E-05-0.02916791E-08 0.05251096E-12 2 -0.04235416E+06-0.06627844E+03 0.03428693E+02 0.03880542E+00-0.03118298E-03 3 0.01483918E-06-0.03097758E-10-0.03676770E+06 0.01220014E+03 4 HCLSI(CH3)CH2 40992H 6C 2SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01684996E+03 0.05769153E-01-0.06362653E-05-0.02117805E-08 0.04004912E-12 2 -0.01692029E+06-0.05821970E+03 0.03518672E+02 0.03868692E+00-0.03578989E-03 3 0.01856940E-06-0.03976975E-10-0.01207708E+06 0.01340137E+03 4 HCLSICH2 40992H 3C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01094639E+03 0.03063482E-01-0.04057563E-05-0.07933510E-09 0.01649546E-12 2 -0.03161099E+05-0.03101113E+03 0.02331473E+02 0.02712338E+00-0.02843577E-03 3 0.01542443E-06-0.03288710E-10-0.03745104E+04 0.01417701E+03 4 HCLSICH3 40992H 4C 1SI 1CL 1G 0300.00 4000.00 1500.00 1 0.01183446E+03 0.03802168E-01-0.04054360E-05-0.01478932E-08 0.02756845E-12 2 -0.09669808E+05-0.03413556E+03 0.03061496E+02 0.02418432E+00-0.02072566E-03 3 0.01016711E-06-0.02124115E-10-0.06367089E+05 0.01342892E+03 4 HCLSISI 40992H 1SI 2CL 1 G 0300.00 4000.00 1500.00 1 0.08766356E+02 0.08352699E-02-0.01828719E-05 0.04227080E-10 0.01924493E-13 2 0.03066829E+06-0.01515527E+03 0.05006777E+02 0.01170423E+00-0.01308663E-03 3 0.07173085E-07-0.01520111E-10 0.03183531E+06 0.04414009E+02 4 HCN 110193H 1C 1N 1 G 0300.00 4000.00 1000.00 1 0.03426457E+02 0.03924190E-01-0.01601138E-04 0.03161966E-08-0.02432850E-12 2 0.01485552E+06 0.03607795E+02 0.02417787E+02 0.09031856E-01-0.01107727E-03 3 0.07980141E-07-0.02311141E-10 0.01501044E+06 0.08222891E+02 4 HCNH 41687C 1H 2N 1 G 0300.00 4000.00 1000.00 1 0.04923293E+02 0.03332897E-01-0.03370897E-05-0.01901619E-08 0.03531825E-12 2 0.03132669E+06-0.01632509E+02 0.02759456E+02 0.06103387E-01 0.07713149E-05 3 -0.02063094E-07 0.01931920E-11 0.03217247E+06 0.01057489E+03 4 HCNO 120186H 1C 1N 1O 1G 0250.00 4000.00 1000.00 1 0.06692412E+02 0.02368360E-01-0.02371510E-05-0.01275503E-08 0.02407137E-12 2 0.01694737E+06-0.01245434E+03 0.03184859E+02 0.09752316E-01-0.01280203E-04 3 -0.06163104E-07 0.03226275E-10 0.01797907E+06 0.06123844E+02 4 HCO 121286H 1C 1O 1 G 0300.00 5000.00 1000.00 1 0.03557271E+02 0.03345573E-01-0.01335006E-04 0.02470573E-08-0.01713851E-12 2 0.03916324E+05 0.05552299E+02 0.02898330E+02 0.06199147E-01-0.09623084E-04 3 0.01089825E-06-0.04574885E-10 0.04159922E+05 0.08983614E+02 4 HCO+ 121286H 1C 1O 1E -1G 0300.00 5000.00 1000.00 1 0.03692074E+02 0.03454732E-01-0.01316524E-04 0.02323551E-08-0.01554132E-12 2 0.09890941E+06 0.02330722E+02 0.02496483E+02 0.08690658E-01-0.01060445E-03 3 0.07882791E-07-0.02418385E-10 0.09915097E+06 0.08048178E+02 4 HCOOH 103190C 1H 2O 2 G 0300.00 4000.00 1500.00 1 0.07959698E+02 0.03024532E-01-0.03434242E-05-0.01326767E-08 0.02520240E-12 2 -0.05027445E+06-0.01872208E+03 0.09326031E+01 0.01891002E+00-0.01554964E-03 3 0.07290031E-07-0.01483695E-10-0.04760071E+06 0.01950653E+03 4 HE 120186HE 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.07453750E+04 0.09153489E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.09153488E+01 4 HE+ 120186HE 1E -1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.02853427E+07 0.01608405E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.02853427E+07 0.01608405E+02 4 HF 121286H 1F 1 G 0300.00 5000.00 1000.00 1 0.02956767E+02 0.07721015E-02-0.09899833E-06-0.04993521E-10 0.01429331E-13 2 -0.03361061E+06 0.04011673E+02 0.03431841E+02 0.04404166E-02-0.08828452E-05 3 0.06574516E-08-0.02055910E-12-0.03381977E+06 0.01238270E+02 4 HG2BR2(S) 81292BR 2HG 2 S 0300.00 1500.00 1000.00 1 0.01131527E+03 0.05176237E-01-0.09149018E-05-0.01774353E-07 0.08208311E-11 2 -0.02812664E+06-0.03960847E+03 0.09176256E+02 0.01716637E+00-0.02379101E-03 3 0.01656353E-06-0.04492058E-10-0.02787921E+06-0.03016915E+03 4 HG2CL2(S) 81292CL 2HG 2 S 0300.00 1500.00 1000.00 1 0.01170237E+03 0.03242224E-01-0.01018772E-05-0.03745899E-08 0.04682208E-12 2 -0.03555571E+06-0.04461773E+03 0.01002375E+03 0.01031694E+00-0.01160577E-03 3 0.08123549E-07-0.02343515E-10-0.03522627E+06-0.03658009E+03 4 HG2F2(S) 81292F 2HG 2 S 0300.00 1500.00 1000.00 1 0.01156086E+03 0.03513290E-01-0.04228193E-06-0.06265655E-08 0.01191005E-11 2 -0.06207291E+06-0.04780613E+03 0.01035013E+03 0.06139501E-01-0.03674693E-05 3 -0.03011902E-07 0.01414143E-10-0.06172955E+06-0.04143495E+03 4 HG2I2(S) 81292HG 2I 2 S 0300.00 1500.00 1000.00 1 0.01104021E+03 0.05724188E-01-0.09515335E-05-0.02149612E-07 0.09793057E-11 2 -0.01777374E+06-0.03535439E+03 0.09788829E+02 0.01440390E+00-0.01844748E-03 3 0.01180869E-06-0.02911372E-10-0.01774167E+06-0.03032197E+03 4 HGAET 62987GA 1C 2H 6 G 0300.00 1500.00 0600.00 1 0.06580152E+02 0.01610132E+00 0.05009546E-05-0.05185148E-07 0.01524085E-10 2 0.08765131E+05-0.04046067E+01 0.01163284E+02 0.03282213E+00 0.06765717E-04 3 -0.06509541E-06 0.04835807E-09 0.09767174E+05 0.02588269E+03 4 HGAET2 62987GA 1C 4H 11 G 0300.00 1500.00 0600.00 1 0.06511306E+02 0.02819754E+00 0.01418751E-04-0.09000947E-07 0.02572894E-10 2 -0.04482180E+05 0.04709022E+02-0.01486576E+02 0.05217640E+00 0.01356342E-03 3 -0.01011982E-05 0.07319854E-09-0.02985242E+05 0.04364749E+03 4 HGAME 62987GA 1C 1H 4 G 0300.00 1500.00 0600.00 1 0.05318279E+02 0.09490931E-01 0.02277164E-05-0.03005070E-07 0.09037830E-11 2 0.01253534E+06-0.01065710E+01 0.01784750E+02 0.02058861E+00 0.03548509E-04 3 -0.04111927E-06 0.03108978E-09 0.01318422E+06 0.01700702E+03 4 HGAME2 62987GA 1C 2H 7 G 0300.00 1500.00 0600.00 1 0.06759398E+02 0.01426103E+00-0.01174024E-05-0.05001401E-07 0.01502785E-10 2 -0.01473265E+05-0.02967135E+02 0.09039155E+01 0.03264779E+00 0.05389244E-04 3 -0.06814504E-06 0.05150323E-09-0.03978242E+04 0.02539305E+03 4 HGBR 81292BR 1HG 1 G 0300.00 5000.00 1000.00 1 0.04470182E+02 0.01740022E-02-0.01782286E-06 0.03639776E-10-0.02699461E-14 2 0.01118634E+06 0.07116504E+02 0.04325519E+02 0.06429246E-02-0.04527797E-05 3 0.04543436E-09 0.06863204E-12 0.01121730E+06 0.07833202E+02 4 HGCL2 81292CL 2HG 1 G 0300.00 5000.00 1000.00 1 0.07251462E+02 0.03082143E-02-0.01447555E-05 0.02958294E-09-0.02201214E-13 2 -0.01981231E+06-0.06061846E+02 0.06249130E+02 0.03221573E-01-0.02109668E-04 3 -0.07713536E-08 0.08526178E-11-0.01958242E+06-0.01015613E+02 4 HGCL2(S) 81292CL 2HG 1 S 0300.00 1500.00 1000.00 1 0.07750329E+02 0.03529253E-01 0.03886646E-06-0.08307839E-08 0.02781535E-11 2 -0.03009787E+06-0.02772331E+03 0.07611778E+02 0.05084911E-01-0.02887606E-04 3 0.09093899E-08 0.04734468E-12-0.03015054E+06-0.02738100E+03 4 HGF2 81292F 2HG 1 G 0300.00 5000.00 1000.00 1 0.06970407E+02 0.06373497E-02-0.02938029E-05 0.05925826E-09-0.04366956E-13 2 -0.03751535E+06-0.08137829E+02 0.05155538E+02 0.05733727E-01-0.03667157E-04 3 -0.01223692E-07 0.01370429E-10-0.03707844E+06 0.01073098E+02 4 HGF2(S) 81292F 2HG 1 S 0300.00 2000.00 1000.00 1 0.08322627E+02 0.02317361E-01 0.02103511E-05-0.09665973E-09 0.01631405E-12 2 -0.05342179E+06-0.03414006E+03 0.08250103E+02 0.02543387E-01-0.07218619E-06 3 0.08044224E-09-0.03175138E-12-0.05340276E+06-0.03377085E+03 4 HGH 81292H 1HG 1 G 0300.00 5000.00 1000.00 1 0.03674353E+02 0.01116618E-01-0.03728888E-05 0.07077644E-09-0.04984356E-13 2 0.02745200E+06 0.04954799E+02 0.02859969E+02 0.03217363E-01-0.02993410E-04 3 0.02267118E-07-0.08671660E-11 0.02771287E+06 0.09273314E+02 4 HGI 81292HG 1I 1 G 0300.00 5000.00 1000.00 1 0.04487935E+02 0.03041356E-02-0.07219846E-07 0.01468881E-10-0.01089820E-14 2 0.01470042E+06 0.08086309E+02 0.04411734E+02 0.05799910E-02-0.03475217E-05 3 0.01593090E-08-0.01730073E-12 0.01471610E+06 0.08458668E+02 4 HGO 81292HG 1O 1 G 0300.00 5000.00 1000.00 1 0.04192036E+02 0.04176084E-02-0.01658976E-05 0.03318185E-09-0.02429647E-13 2 0.03713110E+05 0.04621457E+02 0.03235991E+02 0.03067171E-01-0.01992628E-04 3 -0.04378690E-08 0.06018341E-11 0.03950193E+05 0.09495331E+02 4 HGO(S) 81292HG 1O 1 S 0300.00 1000.00 1000.00 1 0.07146808E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01350616E+06-0.03327734E+03 0.02854835E+02 0.01115052E+00-0.01160794E-03 3 0.06126729E-07-0.01377341E-10-0.01217635E+06-0.01067390E+03 4 HMEGAET 62987GA 1C 3H 9 G 0300.00 1500.00 0600.00 1 0.07025463E+02 0.02564787E+00 0.09619100E-05-0.08403699E-07 0.02488960E-10 2 -0.01361377E+05-0.03319484E+02-0.02079143E+02 0.05373076E+00 0.01181036E-03 3 -0.01099855E-05 0.08189554E-09 0.03216961E+04 0.04086070E+03 4 HN(OH)2 103190H 3N 1O 2 G 0300.00 4000.00 1500.00 1 0.09963640E+02 0.02864737E-01-0.03812930E-05-0.07443356E-09 0.01610124E-12 2 -0.01662184E+06-0.02871770E+03 0.03244199E+01 0.02850544E+00-0.02753934E-03 3 0.01337294E-06-0.02571777E-10-0.01354499E+06 0.02201480E+03 4 HN3 82687H 1N 3 G 0300.00 4000.00 1000.00 1 0.06023015E+02 0.02454362E-01-0.02404279E-05-0.01322973E-08 0.02474146E-12 2 0.03394051E+06-0.07015537E+02 0.03621003E+02 0.06030785E-01 0.04054460E-05 3 -0.02545271E-07 0.06174280E-11 0.03482373E+06 0.06333769E+02 4 HNC 92392H 1C 1N 1 G 0300.00 5000.00 1500.00 1 0.05283464E+02 0.01092476E-01-0.01170865E-05-0.02308672E-09 0.03950673E-13 2 0.02012958E+06-0.06388218E+02 0.03592377E+02 0.05561340E-01-0.05936823E-04 3 0.03782329E-07-0.09365092E-11 0.02079803E+06 0.02732160E+02 4 HNCN 62790C 1H 1N 2 G 0300.00 4000.00 1500.00 1 0.07251951E+02 0.01587363E-01-0.01995579E-05-0.04841944E-09 0.09908280E-13 2 0.03563666E+06-0.01312080E+03 0.02951908E+02 0.01245028E+00-0.01161611E-03 3 0.05786108E-07-0.01175004E-10 0.03712483E+06 0.09811426E+02 4 HNCNH 62790C 1H 2N 2 G 0300.00 4000.00 1500.00 1 0.08374143E+02 0.02366143E-01-0.03502324E-05-0.04391102E-09 0.01096859E-12 2 0.01461088E+06-0.02107393E+03 0.01001985E+02 0.02464016E+00-0.02759770E-03 3 0.01532472E-06-0.03268280E-10 0.01679368E+06 0.01694325E+03 4 HNCO 110193H 1C 1N 1O 1G 0300.00 4000.00 1400.00 1 0.06545307E+02 0.01965760E-01-0.01562664E-05-0.01074318E-08 0.01874680E-12 2 -0.01664773E+06-0.01003880E+03 0.03858467E+02 0.06390342E-01-0.09016628E-05 3 -0.01898224E-07 0.07651380E-11-0.01562343E+06 0.04882493E+02 4 HNF 42489H 1N 1F 1 G 0300.00 3000.00 1000.00 1 0.04133219E+02 0.01912057E-01-0.01625330E-05-0.01726461E-08 0.03743691E-12 2 0.01467052E+06 0.03292122E+02 0.03249761E+02 0.03261818E-01 0.04355642E-06 3 -0.01100277E-07 0.02926757E-11 0.01499126E+06 0.08187434E+02 4 HNF2 42489H 1N 1F 2 G 0300.00 3000.00 1000.00 1 0.05704866E+02 0.03049897E-01-0.02826803E-05-0.02923185E-08 0.06551055E-12 2 -0.09107488E+05-0.03941332E+02 0.02572812E+02 0.08762144E-01-0.02326921E-05 3 -0.05000826E-07 0.02143838E-10-0.08086760E+05 0.01300681E+03 4 HNNHO 103190H 2N 2O 1 G 0300.00 4000.00 1500.00 1 0.07462348E+02 0.03113521E-01-0.02614534E-05-0.01394601E-08 0.02363352E-12 2 0.07517607E+05-0.01619293E+03 0.07974964E+01 0.01693171E+00-0.01141086E-03 3 0.04201242E-07-0.06926417E-11 0.01010665E+06 0.02038765E+03 4 HNNO 103190H 1N 2O 1 G 0300.00 4000.00 1500.00 1 0.06991217E+02 0.01875970E-01-0.02124584E-05-0.06710472E-09 0.01230508E-12 2 0.02497566E+06-0.01123523E+03 0.02238298E+02 0.01359200E+00-0.01179873E-03 3 0.05392971E-07-0.01010859E-10 0.02660259E+06 0.01413679E+03 4 HNNONO 10891H 1N 3O 2 G 0300.00 4000.00 1500.00 1 0.01246747E+03 0.02018438E-01-0.03674474E-05-0.03459117E-09 0.01090810E-12 2 0.02452278E+06-0.03868309E+03 0.02642670E+02 0.02625418E+00-0.02477878E-03 3 0.01184374E-06-0.02298757E-10 0.02793182E+06 0.01383705E+03 4 HNO 121286H 1N 1O 1 G 0300.00 5000.00 1000.00 1 0.03615144E+02 0.03212486E-01-0.01260337E-04 0.02267298E-08-0.01536236E-12 2 0.01066191E+06 0.04810264E+02 0.02784403E+02 0.06609646E-01-0.09300223E-04 3 0.09437980E-07-0.03753146E-10 0.01091878E+06 0.09035629E+02 4 HNO2 103190H 1N 1O 2 G 0300.00 4000.00 1500.00 1 0.06479630E+02 0.01995274E-01-0.01740387E-05-0.09695872E-09 0.01701480E-12 2 -0.09999271E+05-0.01067286E+03 0.01934838E+02 0.01010036E+00-0.04964616E-04 3 0.08701120E-08-0.02324135E-13-0.08105484E+05 0.01473250E+03 4 HNO3 121286H 1N 1O 3 G 0300.00 5000.00 1000.00 1 0.07003845E+02 0.05811493E-01-0.02333789E-04 0.04288814E-08-0.02959385E-12 2 -0.01889952E+06-0.01047863E+03 0.01353185E+02 0.02220025E+00-0.01978812E-03 3 0.08773908E-07-0.01658384E-10-0.01738563E+06 0.01851868E+03 4 HNOH 102290H 2N 1O 1 G 0300.00 4000.00 1500.00 1 0.06396134E+02 0.01821067E-01-0.01870892E-05-0.07844472E-09 0.01444855E-12 2 0.07859615E+05-0.01040479E+03 0.02125274E+02 0.01066282E+00-0.07602589E-04 3 0.03081642E-07-0.05726498E-11 0.09553544E+05 0.01309672E+03 4 HO2 MAR97H 1O 2 0 0G 300.00 5000.00 1451.00 1 4.58311499E 00 1.72730339E-03-6.19183136E-07 9.91939193E-11-5.88221567E-15 2 3.13365859E 01 3.46199386E-01 3.47629499E 00 2.20467745E-03 1.56841876E-06 3 -2.12755802E-09 5.83140718E-13 6.17073446E 02 7.02308516E 00 4 HOCH2OH 103190C 1H 4O 2 G 0300.00 4000.00 1500.00 1 0.01089048E+03 0.04000443E-01-0.04729597E-05-0.01295970E-08 0.02552658E-12 2 -0.05347440E+06-0.03540623E+03-0.06548874E+01 0.03377715E+00-0.03157595E-03 3 0.01532216E-06-0.02994259E-10-0.04963411E+06 0.02579207E+03 4 HOCL 40992H 1 O 1CL 1 G 0300.00 4000.00 1500.00 1 0.04953150E+02 0.01100053E-01-0.01256296E-05-0.03349951E-09 0.06464506E-13 2 -0.01114737E+06-0.06838384E+01 0.02861399E+02 0.07134484E-01-0.07311028E-04 3 0.03980236E-07-0.08506421E-11-0.01049306E+06 0.01021485E+03 4 HOCN 110193H 1C 1N 1O 1G 0300.00 4000.00 1400.00 1 0.06022112E+02 0.01929530E-01-0.01455029E-05-0.01045811E-08 0.01794814E-12 2 -0.04040321E+05-0.05866433E+02 0.03789424E+02 0.05387981E-01-0.06518270E-05 3 -0.01420164E-07 0.05367969E-11-0.03135335E+05 0.06667052E+02 4 HOCO 103190C 1H 1O 2 G 0300.00 4000.00 1500.00 1 0.07517634E+02 0.01259029E-01-0.01910901E-05-0.03136391E-09 0.07547673E-13 2 -0.02634121E+06-0.01448392E+03 0.02285122E+02 0.01351435E+00-0.01160407E-03 3 0.05047011E-07-0.09032231E-11-0.02448416E+06 0.01367874E+03 4 HONO 31787H 1N 1O 2 G 0300.00 5000.00 1000.00 1 0.05486893E+02 0.04218065E-01-0.01649143E-04 0.02971877E-08-0.02021148E-12 2 -0.01126865E+06-0.02997002E+02 0.02290413E+02 0.01409922E+00-0.01367872E-03 3 0.07498780E-07-0.01876905E-10-0.01043195E+06 0.01328077E+03 4 HONO2 103190H 1N 1O 3 G 0300.00 4000.00 1500.00 1 0.09756148E+02 0.01900948E-01-0.03240020E-05-0.03976639E-09 0.01100334E-12 2 -0.01942244E+06-0.02690023E+03 0.07877668E+01 0.02382329E+00-0.02205964E-03 3 0.01034048E-06-0.01972857E-10-0.01630442E+06 0.02108964E+03 4 HSI(CH3)2 61991H 7C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01220942E+03 0.09173338E-01-0.01186653E-05-0.01188590E-07 0.02418110E-11 2 0.03781464E+05-0.03668250E+03 0.02568267E+02 0.03071446E+00-0.01863911E-03 3 0.06210373E-07-0.09376544E-11 0.07271919E+05 0.01551808E+03 4 HSI(CH3)2CH2 61991H 9C 3SI 1 G 0300.00 2500.00 1500.00 1 0.01723999E+03 0.01101475E+00-0.01546410E-05-0.01338650E-07 0.02653453E-11 2 -0.02842083E+05-0.06077749E+03 0.03367732E+02 0.04430759E+00-0.03246598E-03 3 0.01379387E-06-0.02586752E-10 0.02041653E+05 0.01367000E+03 4 HSI(CH3)3 61991H 10C 3SI 1 G 0300.00 2500.00 1500.00 1 0.01689903E+03 0.01338224E+00-0.01538243E-05-0.01746233E-07 0.03550375E-11 2 -0.02740327E+06-0.06121112E+03 0.03224459E+02 0.04373614E+00-0.02597404E-03 3 0.08415742E-07-0.01236561E-10-0.02243583E+06 0.01289306E+03 4 HSI(NH2)2 22790SI 1H 5N 2 G 0300.00 4000.00 1000.00 1 0.01171677E+03 0.05339021E-01-0.04667824E-05-0.02824087E-08 0.05080916E-12 2 -0.01264169E+05-0.03245118E+03 0.06289699E+02 0.01675060E+00-0.01520878E-04 3 -0.01070065E-06 0.05538641E-10 0.03154771E+04-0.03746008E+02 4 HSI(NH2)3 22790SI 1H 7N 3 G 0300.00 4000.00 1000.00 1 0.01661406E+03 0.07395874E-01-0.06440010E-05-0.03918887E-08 0.07045959E-12 2 -0.03859547E+06-0.05865318E+03 0.07070983E+02 0.02754435E+00-0.02603669E-04 3 -0.01874567E-06 0.09778511E-10-0.03582658E+06-0.08209675E+02 4 HSIC 61991H 1C 1SI 1 G 0300.00 2500.00 1500.00 1 0.05849544E+02 0.07628346E-02-0.09974130E-06-0.03811586E-09 0.08581471E-13 2 0.09097438E+06-0.04862062E+02 0.03761288E+02 0.06108070E-01-0.05721172E-04 3 0.02805116E-07-0.05597709E-11 0.09168219E+06 0.06236756E+02 4 HSICCH 61991H 2C 2SI 1 G 0300.00 2500.00 1500.00 1 0.09098096E+02 0.02292999E-01-0.01278589E-05-0.01869017E-08 0.03514532E-12 2 0.04933532E+06-0.02153271E+03 0.03799881E+02 0.01633703E+00-0.01551299E-03 3 0.07880591E-07-0.01619982E-10 0.05109468E+06 0.06475363E+02 4 HSICH2 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1 0.08641686E+02 0.02535259E-01-0.01532829E-05-0.02418416E-08 0.04870000E-12 2 0.03962671E+06-0.02128790E+03 0.02376883E+02 0.01822864E+00-0.01641260E-03 3 0.07937691E-07-0.01590356E-10 0.04179768E+06 0.01215211E+03 4 HSICH3 61991H 4C 1SI 1 G 0300.00 2500.00 1500.00 1 0.07578257E+02 0.05000398E-01-0.08706991E-06-0.06516750E-08 0.01344446E-11 2 0.02138075E+06-0.01438961E+03 0.02658293E+02 0.01547950E+00-0.08319889E-04 3 0.02184355E-07-0.02302844E-11 0.02319822E+06 0.01240552E+03 4 HSICL 121986SI 1H 1CL 1 G 0300.00 2000.00 1000.00 1 0.04900628E+02 0.01981752E-01-0.03634647E-05-0.02285211E-08 0.07633527E-12 2 0.06914634E+05 0.01377004E+02 0.03072748E+02 0.09057843E-01-0.01159134E-03 3 0.08310477E-07-0.02483000E-10 0.07324210E+05 0.01033490E+03 4 HSIN 22790H 1SI 1N 1 G 0300.00 4000.00 1000.00 1 0.05746590E+02 0.01167119E-01-0.01360742E-05-0.05908617E-09 0.01174696E-12 2 0.04484671E+06-0.05931788E+02 0.04865176E+02 0.01775119E-01 0.04890870E-05 3 0.03922383E-08-0.07913276E-11 0.04526353E+06-0.07134509E+01 4 HSINH 42489SI 1H 2N 1 G 0300.00 3000.00 1000.00 1 0.06493435E+02 0.02567980E-01-0.03126526E-05-0.02577467E-08 0.06216479E-12 2 0.04035934E+06-0.07830112E+02 0.03566343E+02 0.08446736E-01-0.07699952E-05 3 -0.05270970E-07 0.02581065E-10 0.04124904E+06 0.07780791E+02 4 HSINH2 42489SI 1N 1H 3 G 0300.00 3000.00 1000.00 1 0.06177894E+02 0.04689964E-01-0.03583294E-05-0.04457980E-08 0.09379187E-12 2 0.01091277E+06-0.07006672E+02 0.02716144E+02 0.01204278E+00-0.09827195E-05 3 -0.07408477E-07 0.03789792E-10 0.01190771E+06 0.01126252E+03 4 HSISICL 40992H 1SI 2CL 1 G 0300.00 4000.00 1500.00 1 0.09242357E+02 0.07265211E-02-0.02039730E-05-0.03559737E-10 0.04236577E-13 2 0.03651789E+06-0.01714597E+03 0.05753464E+02 0.01000321E+00-0.01097056E-03 3 0.06117942E-07-0.01351102E-10 0.03773825E+06 0.01395110E+02 4 I*C3H7 120186C 3H 7 G 0300.00 5000.00 1000.00 1 0.08063369E+02 0.01574488E+00-0.05182392E-04 0.07477245E-08-0.03854422E-12 2 0.05313871E+05-0.02192647E+03 0.01713300E+02 0.02542616E+00 0.01580808E-04 3 -0.01821286E-06 0.08827710E-10 0.07535809E+05 0.01297901E+03 4 K 81092K 1 G 0300.00 5000.00 1000.00 1 0.02563720E+02-0.01453656E-02 0.01223794E-05-0.05337797E-09 0.01196251E-12 2 0.09958933E+05 0.04689090E+02 0.02599395E+02-0.06665192E-02 0.01537419E-04 3 -0.01462701E-07 0.04917226E-11 0.09968534E+05 0.04606125E+02 4 K(L) 81092K 1 L 0300.00 2000.00 1000.00 1 0.03274152E+02-0.08858241E-03 0.03862458E-05 0.01524701E-08-0.07158116E-12 2 -0.05365253E+04-0.09686786E+02 0.04883188E+02-0.05109876E-01 0.08368289E-04 3 -0.07183867E-07 0.02694974E-10-0.01014822E+05-0.01801753E+03 4 K+ 81092K 1E -1 G 0300.00 5000.00 1000.00 1 0.02500252E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.06110476E+06 0.04335097E+02 0.02500252E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.06110476E+06 0.04335097E+02 4 K2 81092K 2 G 0300.00 5000.00 1000.00 1 0.04493744E+02 0.02561175E-02-0.03738461E-07 0.07392168E-11-0.05314252E-15 2 0.01393386E+06 0.04344696E+02 0.04445378E+02 0.04507960E-02-0.02923572E-05 3 0.01874060E-08-0.04441270E-12 0.01394330E+06 0.04577300E+02 4 K2B4O7(S) 81292B 4K 2O 7 S 0300.00 2000.00 1000.00 1 0.02241821E+03 0.01632758E+00-0.03423961E-04-0.01996427E-07 0.07329643E-11 2 -0.04092750E+07-0.01095459E+04-0.02998519E+02 0.01131803E+01-0.01363625E-02 3 0.07498933E-06-0.01475027E-09-0.04041216E+07 0.01385206E+03 4 K2B6O10(S) 81292B 6K 2O 10 S 0300.00 2000.00 1000.00 1 0.03118760E+03 0.02605101E+00-0.07109914E-04-0.01524101E-07 0.08605891E-11 2 -0.05702715E+07-0.01601394E+04 0.08964822E+02 0.01355307E+01-0.02844741E-02 3 0.03136564E-05-0.01242126E-08-0.05641143E+07-0.05121922E+03 4 K2B8O13(S) 81292B 8K 2O 13 S 0300.00 2000.00 1000.00 1 0.04112535E+03 0.02714051E+00 0.01343626E-04-0.04965544E-07 0.09664300E-11 2 -0.07315279E+07-0.02135898E+04 0.02800687E+03 0.02363518E+00 0.05436592E-03 3 -0.04802017E-06 0.07622581E-10-0.07248984E+07-0.01332889E+04 4 K2CO3(S) 81292C 1K 2O 3 S 0300.00 2000.00 1000.00 1 0.01170935E+03 0.01041619E+00 0.01020812E-04-0.05155670E-08 0.09388472E-12 2 -0.01424670E+07-0.05154899E+03 0.06680495E+02 0.03154875E+00-0.03258348E-03 3 0.02341080E-06-0.06331882E-10-0.01414994E+07-0.02751031E+03 4 K2H2O2 81292H 2K 2O 2 G 0300.00 5000.00 1000.00 1 0.09476007E+02 0.05520012E-01-0.02003512E-04 0.03416984E-08-0.02230089E-12 2 -0.08204786E+06-0.01665546E+03 0.06069657E+02 0.01657159E+00-0.01641134E-03 3 0.09628012E-07-0.02546013E-10-0.08118152E+06 0.05625929E+01 4 K2O(S) 81092K 2O 1 S 0300.00 2000.00 1000.00 1 0.09200109E+02 0.04813529E-01-0.01018656E-04 0.08972973E-08-0.02121417E-11 2 -0.04671154E+06-0.04264142E+03 0.02640315E+02 0.04577225E+00-0.09349357E-03 3 0.08921012E-06-0.03044898E-09-0.04583697E+06-0.01392763E+03 4 K2O2(S) 81092K 2O 2 S 0300.00 2000.00 1000.00 1 0.01094138E+03 0.06102309E-01 0.08639951E-05-0.02383978E-08 0.01021959E-12 2 -0.06335114E+06-0.05099447E+03 0.08940024E+02 0.01225014E+00-0.08065365E-04 3 0.07182271E-07-0.02627561E-10-0.06277485E+06-0.04066683E+03 4 K2SO4 81092K 2O 4S 1 G 0300.00 5000.00 1000.00 1 0.01526056E+03 0.04272701E-01-0.01902870E-04 0.03745009E-08-0.02710228E-12 2 -0.01368994E+07-0.04548655E+03 0.06620770E+02 0.02753542E+00-0.01909671E-03 3 -0.04668391E-08 0.03385142E-10-0.01346318E+07-0.01043411E+02 4 K2SO4(A) 81092K 2O 4S 1 S 0300.00 1200.00 1000.00 1 0.01112054E+03 0.01688473E+00 0.02694884E-04-0.06810694E-07 0.03326950E-10 2 -0.01771853E+07-0.04766545E+03 0.05610137E+02 0.05334319E+00-0.08680538E-03 3 0.08485600E-06-0.02978756E-09-0.01763645E+07-0.02358624E+03 4 K2SO4(B) 81092K 2O 4S 1 S 0300.00 1500.00 1000.00 1 0.01400625E+03 0.08639256E-01 0.01734839E-04-0.01101018E-07 0.02493181E-11 2 -0.01758863E+07-0.05931899E+03 0.01384030E+03 0.09154258E-01 0.01580722E-04 3 -0.01673984E-07 0.06273504E-11-0.01758589E+07-0.05851410E+03 4 K3CL6AL(S) 81292AL 1CL 6K 3 S 0300.00 2000.00 1000.00 1 0.02692199E+03 0.01202448E+00 0.05058586E-06-0.02459252E-07 0.06112274E-11 2 -0.02602720E+07-0.01118533E+04 0.02756025E+03 0.01980910E-01 0.02914285E-03 3 -0.03306608E-06 0.01153111E-09-0.02601182E+07-0.01132925E+04 4 K3CL9AL2(S) 81292AL 2CL 9K 3 S 0300.00 1500.00 1000.00 1 0.04789960E+03-0.03698524E-01 0.01208277E-04 0.06439299E-07-0.01714364E-10 2 -0.03594776E+07-0.02186357E+04 0.03685728E+03 0.02754220E-01 0.05087779E-03 3 -0.06808868E-06 0.02773367E-09-0.03554758E+07-0.01561649E+04 4 K3F6AL(S) 81292AL 1F 6K 3 S 0300.00 2000.00 1000.00 1 0.02557611E+03 0.01452585E+00-0.02005301E-04-0.01843642E-07 0.05259736E-11 2 -0.04090259E+07-0.01172057E+04 0.01633462E+03 0.05150368E+00-0.07128115E-03 3 0.06274052E-06-0.02251868E-09-0.04067185E+07-0.07147460E+03 4 KBF4 81292B 1F 4K 1 G 0300.00 5000.00 1000.00 1 0.01230182E+03 0.04142506E-01-0.01820830E-04 0.03550730E-08-0.02552394E-12 2 -0.01910389E+07-0.03449073E+03 0.05358002E+02 0.02295803E+00-0.01721231E-03 3 0.02466718E-07 0.01382599E-10-0.01891819E+07 0.01299769E+02 4 KBO2 81292B 1K 1O 2 G 0300.00 5000.00 1000.00 1 0.07506115E+02 0.02663024E-01-0.01134505E-04 0.02165299E-08-0.01532624E-12 2 -0.08364206E+06-0.08262075E+02 0.04636629E+02 0.01088843E+00-0.09865937E-04 3 0.04481115E-07-0.09043993E-11-0.08286314E+06 0.06500684E+02 4 KBO2(S) 81292B 1K 1O 2 S 0300.00 2000.00 1000.00 1 0.07971486E+02 0.06730890E-01-0.01544574E-04-0.09972352E-08 0.04052630E-11 2 -0.01227148E+07-0.03858371E+03 0.01603821E+02 0.03275175E+00-0.04757948E-03 3 0.03848067E-06-0.01269093E-09-0.01212629E+07-0.07486101E+02 4 KBR 81292BR 1K 1 G 0300.00 5000.00 1000.00 1 0.04458711E+02 0.01473836E-02-0.02499466E-06 0.05161851E-10-0.03875234E-14 2 -0.02300303E+06 0.04657488E+02 0.04270624E+02 0.07398923E-02-0.05320569E-05 3 -0.05894879E-10 0.01133094E-11-0.02296215E+06 0.05593031E+02 4 KBR(L) 81292BR 1K 1 L 0300.00 2500.00 1000.00 1 0.08404630E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.04779214E+06-0.03519115E+03 0.08404630E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.04779214E+06-0.03519115E+03 4 KBR(S) 81292BR 1K 1 S 0300.00 1500.00 1000.00 1 -0.05170830E+02 0.01746852E+00 0.01013392E-04-0.07494241E-07 0.02378879E-10 2 -0.04495981E+06 0.03946532E+03 0.05431605E+02 0.03845234E-01-0.03455247E-04 3 -0.09685064E-09 0.02470977E-10-0.04912882E+06-0.02040493E+03 4 KCL 81092CL 1K 1 G 0300.00 5000.00 1000.00 1 0.04434967E+02 0.01726721E-02-0.03865868E-06 0.07943251E-10-0.05932801E-14 2 -0.02716306E+06 0.03398542E+02 0.04149517E+02 0.01039142E-01-0.07034589E-05 3 -0.01200715E-08 0.02112008E-11-0.02709960E+06 0.04826011E+02 4 KCL(L) 81092CL 1K 1 L 0300.00 2000.00 1000.00 1 0.08852542E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.05337392E+06-0.04001344E+03 0.08852542E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.05337392E+06-0.04001344E+03 4 KCL(S) 81092CL 1K 1 S 0300.00 1500.00 1000.00 1 0.01391136E+01 0.07749002E-01 0.02100056E-04-0.01960861E-07 0.03813962E-12 2 -0.05188544E+06 0.09020889E+02 0.05818812E+02-0.05778791E-02 0.09593293E-04 3 -0.01468548E-06 0.07916702E-10-0.05429399E+06-0.02336092E+03 4 KCL4AL(S) 81292AL 1CL 4K 1 S 0300.00 2000.00 1000.00 1 0.02311946E+03 0.01525936E-01-0.06380630E-06-0.04176163E-08 0.01306884E-11 2 -0.01521618E+07-0.01113391E+04 0.01753111E+03-0.03647218E-01 0.03673018E-03 3 -0.03613268E-06 0.09813280E-10-0.01492592E+07-0.07647553E+03 4 KCLO4(S) 81092CL 1K 1O 4 S 0300.00 1500.00 1000.00 1 0.01704025E+03 0.06660737E-01-0.06016704E-05 0.09785776E-08-0.05059647E-11 2 -0.05676480E+06-0.08085843E+03-0.08468085E+02 0.01228758E+01-0.02129487E-02 3 0.01790606E-05-0.05694776E-09-0.05181381E+06 0.04005509E+03 4 KCN 81092C 1K 1N 1 G 0300.00 5000.00 1000.00 1 0.05842749E+02 0.01653475E-01-0.06722096E-05 0.01241081E-08-0.08573718E-13 2 0.07711161E+05-0.03406482E+02 0.05315387E+02 0.03936776E-01-0.05387426E-04 3 0.04814072E-07-0.01739264E-10 0.07842257E+05-0.08199391E+01 4 KCN(L) 81092C 1K 1N 1 L 0300.00 3000.00 1000.00 1 0.09058883E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01522798E+06-0.03545687E+03 0.09058883E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.01522798E+06-0.03545687E+03 4 KCN(S) 81092C 1K 1N 1 S 0300.00 2000.00 1000.00 1 0.07894013E+02 0.02150449E-02-0.01621315E-05 0.06831993E-09-0.01060712E-12 2 -0.01600422E+06-0.02964975E+03 0.08115453E+02-0.08847082E-02 0.01981085E-04 3 -0.01804607E-07 0.05974163E-11-0.01604356E+06-0.03067895E+03 4 KF 81292F 1K 1 G 0300.00 5000.00 1000.00 1 0.04357120E+02 0.02586241E-02-0.08236973E-06 0.01676907E-09-0.01243132E-13 2 -0.04063861E+06 0.02285054E+02 0.03798984E+02 0.01885430E-01-0.01210870E-04 3 -0.03741075E-08 0.04494632E-11-0.04051013E+06 0.05095577E+02 4 KF(L) 81292F 1K 1 L 0300.00 3000.00 1000.00 1 0.08656265E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.06927377E+06-0.04118344E+03 0.08656265E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.06927377E+06-0.04118343E+03 4 KF(S) 81292F 1K 1 S 0300.00 2000.00 1000.00 1 0.03272299E+01 0.08993195E-01-0.03094381E-06-0.02624963E-07 0.07101532E-11 2 -0.06804909E+06 0.05309298E+02 0.06190467E+02-0.05622034E-01 0.02294401E-03 3 -0.02818213E-06 0.01204436E-09-0.07014057E+06-0.02637925E+03 4 KH 81092H 1K 1 G 0300.00 5000.00 1000.00 1 0.03968138E+02 0.07086924E-02-0.02618517E-05 0.05096044E-09-0.03655452E-13 2 0.01350120E+06 0.08027413E+01 0.02900121E+02 0.03518317E-01-0.02544774E-04 3 0.04599961E-08 0.01286229E-11 0.01379667E+06 0.06342766E+02 4 KH(S) 81092H 1K 1 S 0300.00 1500.00 1000.00 1 0.05864564E+02 0.01204909E-01 0.02825877E-06 0.03559937E-08-0.02515747E-11 2 -0.09079129E+05-0.02848776E+03 0.05248775E+01 0.02016870E+00-0.02768125E-03 3 0.02024240E-06-0.06052568E-10-0.07796234E+05-0.01890097E+02 4 KI 81092I 1K 1 G 0300.00 5000.00 1000.00 1 0.04470767E+02 0.01359027E-02-0.01768799E-06 0.03648327E-10-0.02733674E-14 2 -0.01644198E+06 0.05528315E+02 0.04327901E+02 0.05945793E-02-0.04409470E-05 3 0.04559572E-09 0.06522621E-12-0.01641095E+06 0.06237795E+02 4 KI(L) 81092I 1K 1 L 0300.00 2500.00 1000.00 1 0.08706593E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.04022598E+06-0.03588112E+03 0.08706593E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.04022598E+06-0.03588112E+03 4 KI(S) 81092I 1K 1 S 0300.00 2000.00 1000.00 1 0.01442913E+02 0.09802845E-01-0.01380615E-04-0.02325573E-07 0.07600708E-11 2 -0.03988335E+06 0.02717618E+02 0.05114120E+02 0.08508960E-01-0.02212545E-03 3 0.02836093E-06-0.01155892E-09-0.04120049E+06-0.01812497E+03 4 KO 81092K 1O 1 G 0300.00 5000.00 1000.00 1 0.04400291E+02 0.02386787E-02-0.05880047E-06 0.01206713E-09-0.09006961E-14 2 0.07217110E+05 0.03434775E+02 0.03985333E+02 0.01469353E-01-0.09479054E-05 3 -0.02419141E-08 0.03264700E-11 0.07311120E+05 0.05517902E+02 4 KO- 81092K 1O 1E 1 G 0300.00 5000.00 1000.00 1 0.04394805E+02 0.02418371E-02-0.06146423E-06 0.01255348E-09-0.09326869E-14 2 -0.01794565E+06 0.02053687E+02 0.03961007E+02 0.01526099E-01-0.09806386E-05 3 -0.02666917E-08 0.03470232E-11-0.01784737E+06 0.04231682E+02 4 KO2(S) 81092K 1O 2 S 0300.00 1500.00 1000.00 1 0.01049310E+03 0.01397618E-01-0.06976643E-05 0.03477427E-08-0.01222708E-11 2 -0.03767516E+06-0.04607321E+03 0.04023244E+02 0.02903561E+00-0.04812416E-03 3 0.03816613E-06-0.01168231E-09-0.03635805E+06-0.01502191E+03 4 KOH 81092H 1K 1O 1 G 0300.00 2000.00 1000.00 1 0.09996477E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.05262511E+06-0.04533806E+03 0.09996477E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.05262511E+06-0.04533805E+03 4 KOH+ 81092H 1K 1O 1E -1G 0300.00 5000.00 1000.00 1 0.05583889E+02 0.01372118E-01-0.04239710E-05 0.06231942E-09-0.03548772E-13 2 0.05821436E+06-0.02017959E+02 0.05036081E+02 0.04278173E-01-0.04213406E-04 3 0.01114253E-07 0.03757057E-11 0.05823345E+06 0.03093667E+01 4 ME2GAET 62987GA 1C 4H 11 G 0300.00 1500.00 0600.00 1 0.07174541E+02 0.03235532E+00 0.01495199E-04-0.01048226E-06 0.03053962E-10 2 -0.06383914E+05-0.02026765E+02-0.03218207E+02 0.06398884E+00 0.01554552E-03 3 -0.01284710E-05 0.09441259E-09-0.04451897E+05 0.04848091E+03 4 MEGAET 62987GA 1C 3H 8 G 0300.00 1500.00 0600.00 1 0.06600990E+02 0.02284791E+00 0.01013375E-04-0.07318046E-07 0.02140197E-10 2 0.04071593E+05 0.05239052E+01-0.08169937E+01 0.04554296E+00 0.01053133E-03 3 -0.09079987E-06 0.06700564E-09 0.05448005E+05 0.03655502E+03 4 MEGAET2 62987GA 1C 5H 13 G 0300.00 1500.00 0600.00 1 0.08123156E+02 0.03978908E+00 0.01690979E-04-0.01308415E-06 0.03852599E-10 2 -0.08091057E+05-0.05039992E+02-0.05607499E+02 0.08187357E+00 0.01920530E-03 3 -0.01678979E-05 0.01243354E-08-0.05546688E+05 0.06163371E+03 4 MG 81292MG 1 G 0300.00 5000.00 1000.00 1 0.02392633E+02 0.02085925E-02-0.01269898E-05 0.02553204E-09-0.04502495E-14 2 0.01704914E+06 0.04211876E+02 0.02416375E+02 0.05325518E-02-0.01135514E-04 3 0.09757325E-08-0.02898280E-11 0.01701992E+06 0.03983786E+02 4 MG(L) 81292MG 1 L 0300.00 2500.00 1000.00 1 0.02664314E+02 0.01304526E-01-0.07547418E-07 0.06776047E-10-0.01436523E-13 2 0.02234430E+04-0.01047801E+03 0.02161491E+02 0.04242991E-01-0.06464607E-04 3 0.06116790E-07-0.02090033E-10 0.02996028E+04-0.08229090E+02 4 MG(S) 81292MG 1 S 0300.00 2000.00 1000.00 1 0.02318547E+02 0.01929427E-01-0.01682130E-05 0.04131403E-09-0.01669293E-13 2 -0.07634172E+04-0.09802473E+02 0.01505637E+02 0.09217769E-01-0.01955590E-03 3 0.02020331E-06-0.07251403E-10-0.07226661E+04-0.06689818E+02 4 MG+ 81292MG 1E -1 G 0300.00 5000.00 1000.00 1 0.02504405E+02-0.08920014E-04 0.06671727E-07-0.02081615E-10 0.02311490E-14 2 0.01064936E+07 0.04292208E+02 0.02498282E+02 0.01465863E-03-0.03808341E-06 3 0.04118195E-09-0.01573362E-12 0.01064953E+07 0.04322873E+02 4 MG2 81292MG 2 G 0300.00 5000.00 1000.00 1 0.03671278E+02-0.02125120E-02 0.01013096E-05-0.02144628E-09 0.01719351E-13 2 0.03362331E+06 0.08548934E+02 0.04345606E+02-0.02080614E-01 0.01110301E-04 3 0.08675645E-08-0.07025087E-11 0.03346530E+06 0.05134171E+02 4 MG2BR4 81292BR 4MG 2 G 0300.00 5000.00 1000.00 1 0.01577579E+03 0.02832096E-02-0.01343784E-05 0.02764443E-09-0.02066139E-13 2 -0.09710095E+06-0.03457961E+03 0.01476089E+03 0.03361559E-01-0.02433120E-04 3 -0.05502974E-08 0.08111758E-11-0.09687714E+06-0.02950851E+03 4 MG2C3(S) 81292C 3MG 2 S 0300.00 2500.00 1000.00 1 0.01239169E+03 0.04624400E-01-0.02484800E-04 0.08656213E-08-0.01151950E-11 2 0.05393315E+05-0.06051988E+03-0.01026610E+02 0.07016433E+00-0.01240220E-02 3 0.01009934E-05-0.03082738E-09 0.07664551E+05 0.01701243E+02 4 MG2F4 81292F 4MG 2 G 0300.00 5000.00 1000.00 1 0.01441927E+03 0.01917749E-01-0.08894670E-05 0.01801607E-08-0.01331627E-12 2 -0.02113316E+07-0.04283410E+03 0.08770948E+02 0.01784847E+00-0.01109718E-03 3 -0.04603306E-07 0.04695460E-10-0.02099919E+07-0.01422645E+03 4 MGAL2O4(S) 81292AL 2MG 1O 4 S 0300.00 2800.00 1000.00 1 0.01495895E+03 0.08818509E-01-0.03160711E-04 0.01013391E-07-0.01228526E-11 2 -0.02817956E+07-0.07811436E+03-0.04868005E+02 0.01055641E+01-0.01821902E-02 3 0.01481432E-05-0.04514191E-09-0.02784436E+07 0.01382603E+03 4 MGB2(S) 81292B 2MG 1 S 0300.00 2000.00 1000.00 1 0.06619755E+02 0.01322195E-01 0.04697857E-05 0.03681802E-08-0.01739753E-11 2 -0.01346401E+06-0.03460640E+03 0.04176086E+02 0.06396544E-01-0.05616456E-04 3 0.07092297E-07-0.03442529E-10-0.01255609E+06-0.02118159E+03 4 MGBR 81292BR 1MG 1 G 0300.00 5000.00 1000.00 1 0.04385933E+02 0.01975075E-02-0.06117347E-06 0.01027103E-09-0.03876260E-14 2 -0.05584836E+05 0.04357095E+02 0.03932960E+02 0.01518559E-01-0.09413456E-05 3 -0.03806534E-08 0.04026288E-11-0.05481871E+05 0.06634707E+02 4 MGBR2 81292BR 2MG 1 G 0300.00 5000.00 1000.00 1 0.07282371E+02 0.02671005E-02-0.01246470E-05 0.02534839E-09-0.01878437E-13 2 -0.03865522E+06-0.05463838E+02 0.06436183E+02 0.02723204E-01-0.01828290E-04 3 -0.05509276E-08 0.06681264E-11-0.03845914E+06-0.01198273E+02 4 MGBR2+ 81292BR 2MG 1E -1 G 0300.00 5000.00 1000.00 1 0.07317323E+02 0.02252288E-02-0.01039562E-05 0.02025280E-09-0.01333602E-13 2 0.08575141E+06-0.03144653E+02 0.06600891E+02 0.02322271E-01-0.01575443E-04 3 -0.04621806E-08 0.05719750E-11 0.08591576E+06 0.04604670E+01 4 MGC2(S) 81292C 2MG 1 S 0300.00 2500.00 1000.00 1 0.07427011E+02 0.02786444E-01-0.01500518E-04 0.05235992E-08-0.06981197E-12 2 0.08069270E+05-0.03697419E+03-0.06510206E+01 0.04230993E+00-0.07491559E-03 3 0.06109534E-06-0.01867195E-09 0.09434739E+05 0.04708862E+01 4 MGCL 81292CL 1MG 1 G 0300.00 5000.00 1000.00 1 0.04335941E+02 0.02574531E-02-0.09346352E-06 0.01898185E-09-0.01405830E-13 2 -0.06564693E+05 0.03214818E+02 0.03708081E+02 0.02069048E-01-0.01328293E-04 3 -0.04347061E-08 0.05033764E-11-0.06418555E+05 0.06382778E+02 4 MGCL2 81292CL 2MG 1 G 0300.00 5000.00 1000.00 1 0.07176871E+02 0.03917414E-02-0.01814155E-05 0.03670114E-09-0.02710187E-13 2 -0.04941693E+06-0.07830507E+02 0.06000831E+02 0.03745347E-01-0.02447708E-04 3 -0.07873749E-08 0.09100925E-11-0.04913880E+06-0.01880677E+02 4 MGCL2(S) 81292CL 2MG 1 S 0300.00 2000.00 1000.00 1 0.08460549E+02 0.02204761E-01-0.06316590E-05 0.02617815E-08-0.05082748E-12 2 -0.07983216E+06-0.03816537E+03 0.04852236E+02 0.02102714E+00-0.03667994E-03 3 0.03032449E-06-0.09279303E-10-0.07928891E+06-0.02175204E+03 4 MGCO3(S) 81292C 1MG 1O 3 S 0300.00 1000.00 1000.00 1 0.01585340E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01402924E+07-0.08639698E+03 0.01344667E+02 0.03695912E+00-0.04452165E-03 3 0.03181716E-06-0.09745892E-10-0.01354278E+07-0.09041713E+02 4 MGF 81292F 1MG 1 G 0300.00 5000.00 1000.00 1 0.04166004E+02 0.04434929E-02-0.01720072E-05 0.03280565E-09-0.02190876E-13 2 -0.02980270E+06 0.02577443E+02 0.03172942E+02 0.03157075E-01-0.02008009E-04 3 -0.04636928E-08 0.06097890E-11-0.02955269E+06 0.07654193E+02 4 MGF2 81292F 2MG 1 G 0300.00 5000.00 1000.00 1 0.06314408E+02 0.08013760E-02-0.03622602E-05 0.07202929E-09-0.05250556E-13 2 -0.08944590E+06-0.05637362E+02 0.04365511E+02 0.06150098E-01-0.04077014E-04 3 -0.07490467E-08 0.01130754E-10-0.08895505E+06 0.04323487E+02 4 MGF2(S) 81292F 2MG 1 S 0300.00 2000.00 1000.00 1 0.08170168E+02 0.02353222E-01-0.01060785E-04 0.02392788E-08-0.01594861E-12 2 -0.01379692E+07-0.04083052E+03 0.01762995E+02 0.03056669E+00-0.04933989E-03 3 0.03778577E-06-0.01108964E-09-0.01367476E+07-0.01039233E+03 4 MGF2+ 81292F 2MG 1E -1 G 0300.00 5000.00 1000.00 1 0.06819974E+02 0.08267521E-02-0.03871799E-05 0.07864547E-09-0.05589085E-13 2 0.06903427E+06-0.08313943E+02 0.04782002E+02 0.06580736E-01-0.04470059E-04 3 -0.08656625E-08 0.01305586E-10 0.06953005E+06 0.02038302E+02 4 MGH 81292H 1MG 1 G 0300.00 5000.00 1000.00 1 0.03501857E+02 0.01196289E-01-0.04870483E-05 0.09616032E-09-0.06566165E-13 2 0.01915847E+06 0.02762077E+02 0.02929127E+02 0.02881565E-01-0.03702138E-04 3 0.03761425E-07-0.01569289E-10 0.01935649E+06 0.05809553E+02 4 MGH2(S) 81292H 2MG 1 S 0300.00 2000.00 1000.00 1 0.04503751E+02 0.05009365E-01-0.07076169E-05-0.09321345E-08 0.03016174E-11 2 -0.01106837E+06-0.02418625E+03-0.09052193E+00 0.01938007E+00-0.01936573E-03 3 0.01164904E-06-0.03397887E-10-0.09845471E+05-0.07606392E+01 4 MGH2O2 81292H 2MG 1O 2 G 0300.00 5000.00 1000.00 1 0.08302454E+02 0.03712996E-01-0.01279645E-04 0.02102831E-08-0.01337217E-12 2 -0.07153173E+06-0.01640682E+03 0.04724303E+02 0.01611746E+00-0.01291007E-03 3 0.05703660E-08 0.02430663E-10-0.07085783E+06 0.09898885E+01 4 MGH2O2(S) 81292H 2MG 1O 2 S 0300.00 1000.00 1000.00 1 0.01381001E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01162998E+07-0.07323205E+03-0.04220693E+02 0.07726916E+00-0.01383568E-02 3 0.01155986E-05-0.03648025E-09-0.01123883E+07 0.01381610E+03 4 MGN 81292MG 1N 1 G 0300.00 5000.00 1000.00 1 0.04177825E+02 0.04387980E-02-0.01726040E-05 0.03444124E-09-0.02516521E-13 2 0.03340716E+06 0.02969357E+02 0.03200092E+02 0.03139739E-01-0.02045035E-04 3 -0.04125930E-08 0.05937391E-11 0.03365107E+06 0.07958522E+02 4 MGO(S) 81292MG 1O 1 S 0300.00 4000.00 1000.00 1 0.04857470E+02 0.01952289E-01-0.08605956E-05 0.02101340E-08-0.01886027E-12 2 -0.07394488E+06-0.02524503E+03 0.01971740E+02 0.01095483E+00-0.08169910E-04 3 -0.06359402E-08 0.02019714E-10-0.07332016E+06-0.01088662E+03 4 MGOH 81292H 1MG 1O 1 G 0300.00 5000.00 1000.00 1 0.05156858E+02 0.01849251E-01-0.06339213E-05 0.01026031E-08-0.06282974E-13 2 -0.02145938E+06-0.02774689E+02 0.03347871E+02 0.08101305E-01-0.06443066E-04 3 0.02006805E-08 0.01261718E-10-0.02111816E+06 0.06024177E+02 4 MGOH+ 81292H 1MG 1O 1E -1G 0300.00 5000.00 1000.00 1 0.05171484E+02 0.01835998E-01-0.06314934E-05 0.01036229E-08-0.06583402E-13 2 0.06865354E+06-0.03526109E+02 0.03383351E+02 0.08055572E-01-0.06452790E-04 3 0.02400212E-08 0.01246873E-10 0.06898753E+06 0.05158118E+02 4 MGS 81292MG 1S 1 G 0300.00 5000.00 1000.00 1 0.01071331E+03-0.06086042E-01 0.02390833E-04-0.04174042E-08 0.02737530E-12 2 0.01317442E+06-0.03521998E+03 0.03789723E+02-0.03985028E-01 0.02217192E-03 3 -0.01858825E-06 0.03239714E-10 0.01635406E+06 0.05868810E+02 4 MGS(S) 81292MG 1S 1 S 0300.00 3000.00 1000.00 1 0.05581918E+02 0.08031267E-02-0.01812239E-05 0.04113088E-09-0.02798069E-13 2 -0.04331716E+06-0.02607368E+03 0.04076152E+02 0.07088011E-01-0.09604458E-04 3 0.06056009E-07-0.01373560E-10-0.04304232E+06-0.01890776E+03 4 MGSO4(S) 81292MG 1O 4S 1 S 0300.00 2500.00 1000.00 1 0.08845820E+02 0.01221900E+00-0.02141897E-04-0.09580988E-08 0.02954552E-11 2 -0.01549512E+07-0.04302983E+03 0.02258418E+02 0.04788929E+00-0.07110586E-03 3 0.05630850E-06-0.01709008E-09-0.01540505E+07-0.01345647E+03 4 N 120186N 1 G 0300.00 5000.00 1000.00 1 0.02450268E+02 0.01066146E-02-0.07465337E-06 0.01879652E-09-0.01025984E-13 2 0.05611604E+06 0.04448758E+02 0.02503071E+02-0.02180018E-03 0.05420529E-06 3 -0.05647560E-09 0.02099904E-12 0.05609890E+06 0.04167566E+02 4 N*C3H7 120186C 3H 7 G 0300.00 5000.00 1000.00 1 0.07978291E+02 0.01576113E+00-0.05173243E-04 0.07443892E-08-0.03824978E-12 2 0.07579402E+05-0.01935611E+03 0.01922537E+02 0.02478927E+00 0.01810249E-04 3 -0.01783266E-06 0.08582996E-10 0.09713281E+05 0.01399271E+03 4 N2 121286N 2 G 0300.00 5000.00 1000.00 1 0.02926640E+02 0.01487977E-01-0.05684761E-05 0.01009704E-08-0.06753351E-13 2 -0.09227977E+04 0.05980528E+02 0.03298677E+02 0.01408240E-01-0.03963222E-04 3 0.05641515E-07-0.02444855E-10-0.01020900E+05 0.03950372E+02 4 N2H2 121286N 2H 2 G 0300.00 5000.00 1000.00 1 0.03371185E+02 0.06039968E-01-0.02303854E-04 0.04062789E-08-0.02713144E-12 2 0.02418172E+06 0.04980585E+02 0.01617999E+02 0.01306312E+00-0.01715712E-03 3 0.01605608E-06-0.06093639E-10 0.02467526E+06 0.01379467E+03 4 N2H3 120186N 2H 3 G 0300.00 5000.00 1000.00 1 0.04441846E+02 0.07214271E-01-0.02495684E-04 0.03920565E-08-0.02298950E-12 2 0.01664221E+06-0.04275205E+01 0.03174204E+02 0.04715907E-01 0.01334867E-03 3 -0.01919685E-06 0.07487564E-10 0.01727270E+06 0.07557224E+02 4 N2H4 121286N 2H 4 G 0300.00 5000.00 1000.00 1 0.04977317E+02 0.09595519E-01-0.03547639E-04 0.06124299E-08-0.04029795E-12 2 0.09341219E+05-0.02962990E+02 0.06442606E+00 0.02749730E+00-0.02899451E-03 3 0.01745240E-06-0.04422282E-10 0.01045192E+06 0.02127789E+03 4 N2H4(L) 90589H 4N 2 L 0300.00 0600.00 0450.00 1 0.08890683E+02 0.08330343E-01 0.04945549E-04-0.04909251E-08-0.03355824E-10 2 0.03032250E+05-0.03871433E+03 0.09047444E+02 0.09241592E-01 0.02263547E-04 3 -0.08952247E-07 0.01486863E-09 0.02970393E+05-0.03974034E+03 4 N2O 121286N 2O 1 G 0300.00 5000.00 1000.00 1 0.04718977E+02 0.02873714E-01-0.01197496E-04 0.02250552E-08-0.01575337E-12 2 0.08165811E+05-0.01657250E+02 0.02543058E+02 0.09492193E-01-0.09792775E-04 3 0.06263845E-07-0.01901826E-10 0.08765100E+05 0.09511222E+02 4 N2O+ 121286N 2O 1E -1 G 0300.00 5000.00 1000.00 1 0.05398516E+02 0.02249478E-01-0.09577057E-05 0.01823193E-08-0.01284422E-12 2 0.01584851E+07-0.03733146E+02 0.03187228E+02 0.08350714E-01-0.07894549E-04 3 0.04597445E-07-0.01381075E-10 0.01591279E+07 0.07779426E+02 4 N2O4 121286N 2O 4 G 0300.00 5000.00 1000.00 1 0.01048220E+03 0.05972272E-01-0.02564044E-04 0.04916885E-08-0.03490969E-12 2 -0.02849989E+05-0.02612289E+03 0.03624593E+02 0.02474708E+00-0.02172875E-03 3 0.09927104E-07-0.02222817E-10-0.09128241E+04 0.09457174E+02 4 N3 121286N 3 G 0300.00 5000.00 1000.00 1 0.05208505E+02 0.02444507E-01-0.01038941E-04 0.01977417E-08-0.01395644E-12 2 0.04796178E+06-0.03612756E+02 0.02882219E+02 0.08930338E-01-0.08539038E-04 3 0.05045585E-07-0.01521248E-10 0.04863468E+06 0.08481757E+02 4 NA 80792NA 1 G 0300.00 5000.00 1000.00 1 0.02574480E+02-0.01605880E-02 0.01250641E-05-0.04516576E-09 0.06941745E-13 2 0.01219129E+06 0.03830900E+02 0.02591348E+02-0.05961520E-02 0.01327651E-04 3 -0.01211123E-07 0.03890067E-11 0.01220642E+06 0.03841789E+02 4 NA(L) 81092NA 1 L 0300.00 2000.00 1000.00 1 0.04030581E+02-0.01320419E-01 0.04136604E-05 0.05486936E-08-0.01916626E-11 2 -0.07899189E+04-0.01548589E+03 0.04682137E+02-0.03624112E-01 0.04776195E-04 3 -0.03871514E-07 0.01518150E-10-0.09807172E+04-0.01881830E+03 4 NA+ 80792NA 1E -1 G 0300.00 5000.00 1000.00 1 0.02500252E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.07260903E+06 0.03538490E+02 0.02500252E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.07260904E+06 0.03538490E+02 4 NA2 80792NA 2 G 0300.00 5000.00 1000.00 1 0.04480669E+02 0.02178011E-02-0.01102830E-06 0.02208498E-10-0.01614866E-14 2 0.01519313E+06 0.02073203E+02 0.04369675E+02 0.05850265E-02-0.03825359E-05 3 0.08752245E-09 0.02980178E-12 0.01521703E+06 0.02622521E+02 4 NA2B4O7(S) 81292B 4NA 2O 7 S 0300.00 2000.00 1000.00 1 0.02061542E+03 0.01728323E+00-0.04016503E-04-0.07600982E-08 0.05580242E-11 2 -0.04014288E+07-0.01006093E+04 0.01430907E+02 0.01167214E+01-0.02000861E-02 3 0.01698028E-05-0.05418888E-09-0.03982982E+07-0.01265829E+03 4 NA2B6O10(S) 81292B 6NA 2O 10 S 0300.00 2000.00 1000.00 1 0.02989617E+03 0.03053411E+00-0.02146684E-04-0.04458443E-07 0.09406424E-11 2 -0.05638429E+07-0.01571271E+04 0.09347958E+02 0.08948274E+00-0.01024848E-02 3 0.01015647E-05-0.04314482E-09-0.05570116E+07-0.04828430E+03 4 NA2C2N2 81292C 2N 2NA 2 G 0300.00 5000.00 1000.00 1 0.01253426E+03 0.03485206E-01-0.01426483E-04 0.02648455E-08-0.01838071E-12 2 -0.05033986E+05-0.03087649E+03 0.01092445E+03 0.09724206E-01-0.01190420E-03 3 0.08942515E-07-0.02847524E-10-0.04654688E+05-0.02294170E+03 4 NA2F2 80792F 2NA 2 G 0300.00 5000.00 1000.00 1 0.09265403E+02 0.09044011E-02-0.04233919E-05 0.08630666E-09-0.06408558E-13 2 -0.01047310E+07-0.01880290E+03 0.06422050E+02 0.09031559E-01-0.05593408E-04 3 -0.02581729E-07 0.02547837E-10-0.01040718E+07-0.04453081E+02 4 NA2H2O2 80792H 2NA 2O 2 G 0300.00 5000.00 1000.00 1 0.09347846E+02 0.05678318E-01-0.02077824E-04 0.03568716E-08-0.02342868E-12 2 -0.07634945E+06-0.01850110E+03 0.05441492E+02 0.01814821E+00-0.01733029E-03 3 0.09077551E-07-0.02055174E-10-0.07536770E+06 0.01240430E+02 4 NA2O(L) 81092NA 2O 1 L 0300.00 3000.00 1000.00 1 0.01258178E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.04859891E+06-0.06066678E+03 0.01258178E+03 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.04859891E+06-0.06066677E+03 4 NA2O(S) 81092NA 2O 1 S 0300.00 2000.00 1000.00 1 0.08804423E+02 0.03253428E-01-0.03530522E-05-0.04324117E-08 0.01394574E-11 2 -0.05257507E+06-0.04209654E+03 0.04776964E+02 0.01483269E+00-0.01052247E-03 3 0.01278469E-07 0.01046187E-10-0.05155651E+06-0.02156737E+03 4 NA2O2 81092NA 2O 2 S 0300.00 2500.00 1000.00 1 0.01382402E+03-0.03556455E-02 0.02837263E-05-0.09701692E-09 0.01205762E-12 2 -0.06583802E+06-0.06789536E+03 0.08035418E+02 0.05983777E-01 0.01935571E-03 3 -0.03410482E-06 0.01439706E-09-0.06395152E+06-0.03604480E+03 4 NA2SO4 80792NA 2O 4S 1 G 0300.00 5000.00 1000.00 1 0.01506456E+03 0.04508233E-01-0.02011474E-04 0.03963989E-08-0.02871466E-12 2 -0.01296053E+07-0.04683857E+03 0.05752581E+02 0.02964118E+00-0.02035211E-03 3 -0.01073243E-07 0.03960597E-10-0.01271767E+07 0.01016246E+02 4 NA2SO4(D) 81092NA 2O 4S 1 S 0300.00 1500.00 1000.00 1 0.01062092E+03 0.01179912E+00 0.03608537E-04-0.03424054E-09-0.09650399E-11 2 -0.01684493E+07-0.04191208E+03 0.01187237E+03 0.04287018E+00-0.09072926E-03 3 0.09042235E-06-0.02940634E-09-0.01707163E+07-0.05750085E+03 4 NA2SO4(I) 81092NA 2O 4S 1 S 0300.00 1500.00 1000.00 1 0.01711668E+03 0.05878399E-01 0.01196697E-04 0.01676018E-08-0.02640822E-11 2 -0.01714447E+07-0.07997372E+03 0.01674756E+03 0.01133662E+00-0.01526634E-03 3 0.01819548E-06-0.06918027E-10-0.01714932E+07-0.07899648E+03 4 NA2SO4(III) 81092NA 2O 4S 1 S 0300.00 1000.00 1000.00 1 0.03701786E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01854858E+07-0.02084472E+04 0.01413394E+03-0.01694491E+00 0.09403022E-03 3 -0.07815722E-06 0.02395583E-09-0.01707247E+07-0.06037737E+03 4 NA2SO4(IV) 81092NA 2O 4S 1 S 0300.00 1000.00 1000.00 1 0.02590382E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01779857E+07-0.01365608E+04 0.05917499E+02 0.04507074E+00-0.05672574E-03 3 0.04596655E-06-0.01432523E-09-0.01702527E+07-0.02694892E+03 4 NA2SO4(V) 81092NA 2O 4S 1 S 0300.00 1000.00 1000.00 1 0.02590382E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.01780169E+07-0.01366284E+04 0.05917499E+02 0.04507074E+00-0.05672574E-03 3 0.04596655E-06-0.01432523E-09-0.01702840E+07-0.02701654E+03 4 NA3CL6AL(S) 81292AL 1CL 6NA 3 S 0300.00 2000.00 1000.00 1 0.02863182E+03 0.08169580E-01 0.01787040E-05-0.09984084E-08 0.01787581E-11 2 -0.02473307E+07-0.01246570E+04 0.02610594E+03 0.09148861E-01 0.09743193E-04 3 -0.01296166E-06 0.04124132E-10-0.02462808E+07-0.01099689E+04 4 NA3F6AL(S) 81292AL 1F 6NA 3 S 0300.00 1200.00 1000.00 1 0.01867366E+03 0.02426805E+00 0.01311169E-04-0.01223061E-06 0.06326451E-10 2 -0.04056682E+07-0.08492075E+03 0.01182130E+03 0.07831376E+00-0.01387551E-02 3 0.01331742E-05-0.04620547E-09-0.04049948E+07-0.05693419E+03 4 NABH4(S) 81292B 1H 4NA 1 S 0300.00 2000.00 1000.00 1 0.08204329E+02 0.01008304E+00-0.01032261E-04-0.02815504E-07 0.09005147E-11 2 -0.02614390E+06-0.03790153E+03 0.08076391E+02 0.05407829E-01 0.01208139E-03 3 -0.01450540E-06 0.04279918E-10-0.02580298E+06-0.03584760E+03 4 NABO2 81092B 1NA 1O 2 G 0300.00 5000.00 1000.00 1 0.07449052E+02 0.02730088E-01-0.01165145E-04 0.02226924E-08-0.01578063E-12 2 -0.08056425E+06-0.09194809E+02 0.04413702E+02 0.01144045E+00-0.01021892E-03 3 0.04340556E-07-0.07548787E-11-0.07974780E+06 0.06401325E+02 4 NABO2(S) 81292B 1NA 1O 2 S 0300.00 2000.00 1000.00 1 0.07820448E+02 0.06702746E-01-0.01488126E-04-0.01033983E-07 0.04130615E-11 2 -0.01203511E+07-0.03848530E+03 0.01695994E+02 0.03131723E+00-0.04453876E-03 3 0.03572163E-06-0.01178195E-09-0.01189335E+07-0.08471359E+02 4 NABR 81092BR 1NA 1 G 0300.00 5000.00 1000.00 1 0.04424304E+02 0.01887477E-02-0.04500799E-06 0.09226701E-10-0.06871650E-14 2 -0.01865205E+06 0.03707466E+02 0.04097639E+02 0.01170972E-01-0.07798224E-05 3 -0.01611608E-08 0.02489549E-11-0.01857889E+06 0.05343556E+02 4 NABR(L) 81292BR 1NA 1 L 0300.00 2500.00 1000.00 1 0.07498742E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.04305332E+06-0.03017306E+03 0.07498742E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.04305333E+06-0.03017306E+03 4 NABR(S) 81292BR 1NA 1 S 0300.00 2000.00 1000.00 1 0.05741811E+02 0.01766697E-01-0.01899553E-05 0.01473021E-09 0.01715605E-12 2 -0.04526151E+06-0.02279248E+03 0.04706446E+02 0.08010188E-01-0.01346175E-03 3 0.01196933E-06-0.03873765E-10-0.04513442E+06-0.01826015E+03 4 NACH 80792C 1N 1NA 1 G 0300.00 5000.00 1000.00 1 0.05791865E+02 0.01708993E-01-0.06965832E-05 0.01288980E-08-0.08921502E-13 2 0.09496355E+05-0.04320624E+02 0.05123989E+02 0.04411283E-01-0.05682223E-04 3 0.04664804E-07-0.01593603E-10 0.09657925E+05-0.01032367E+02 4 NACL 81092CL 1NA 1 G 0300.00 5000.00 1000.00 1 0.04393820E+02 0.02153336E-02-0.06198756E-06 0.01266879E-09-0.09427806E-14 2 -0.02315864E+06 0.02486064E+02 0.03953003E+02 0.01514187E-01-0.09819465E-05 3 -0.02807090E-08 0.03543574E-11-0.02305831E+06 0.04701214E+02 4 NACL(S) 81092CL 1NA 1 S 0300.00 1500.00 1000.00 1 0.07639640E+02-0.03933726E-01 0.02071020E-04 0.04233998E-07-0.02204761E-10 2 -0.05163684E+06-0.03397957E+03 0.04982695E+02 0.05432908E-01-0.07698454E-04 3 0.06300821E-07-0.01211800E-10-0.05112201E+06-0.02104512E+03 4 NACL4AL(S) 81292AL 1CL 4NA 1 S 0300.00 2000.00 1000.00 1 0.02138498E+03 0.03252454E-01-0.01769716E-05-0.07072990E-08 0.01928080E-11 2 -0.01447874E+07-0.01021539E+04 0.01588411E+03 0.04527768E-01 0.02409928E-03 3 -0.03108224E-06 0.01051706E-09-0.01424874E+07-0.07002475E+03 4 NACN 81092C 1N 1NA 1 G 0300.00 5000.00 1000.00 1 0.05791865E+02 0.01708993E-01-0.06965832E-05 0.01288980E-08-0.08921502E-13 2 0.09496355E+05-0.04320624E+02 0.05123989E+02 0.04411283E-01-0.05682223E-04 3 0.04664804E-07-0.01593603E-10 0.09657925E+05-0.01032367E+02 4 NACN(S) 81292C 1N 1NA 1 S 0300.00 2000.00 1000.00 1 0.08137501E+02 0.03044670E-02-0.01811052E-05 0.08281245E-09-0.01435891E-12 2 -0.01334049E+06-0.03217693E+03 0.08239171E+02-0.05281579E-03 0.03829305E-05 3 -0.03800801E-08 0.01401136E-11-0.01336670E+06-0.03268830E+03 4 NAF 80792F 1NA 1 G 0300.00 5000.00 1000.00 1 0.04289078E+02 0.03377828E-02-0.01184403E-05 0.02398348E-09-0.01772778E-13 2 -0.03626513E+06 0.01538309E+02 0.03532346E+02 0.02495132E-01-0.01587195E-04 3 -0.04836335E-08 0.05739804E-11-0.03608573E+06 0.05367920E+02 4 NAF2- 81092F 2NA 1E 1 G 0300.00 5000.00 1000.00 1 0.07032279E+02 0.05655084E-02-0.02615340E-05 0.05285863E-09-0.03900402E-13 2 -0.08272088E+06-0.01028459E+03 0.05382830E+02 0.05231638E-01-0.03350411E-04 3 -0.01169983E-07 0.01291137E-10-0.08232816E+06-0.01928436E+02 4 NAF4AL 81092AL 1F 4NA 1 G 0300.00 5000.00 1000.00 1 0.01407161E+03 0.02285303E-01-0.01043457E-04 0.02090484E-08-0.01532874E-12 2 -0.02260449E+07-0.04013149E+03 0.08103421E+02 0.01881143E+00-0.01205279E-03 3 -0.03477927E-07 0.04123038E-10-0.02245760E+07-0.09731781E+02 4 NAH 80792H 1NA 1 G 0300.00 5000.00 1000.00 1 0.03818649E+02 0.08597439E-02-0.03202059E-05 0.06146711E-09-0.04364567E-13 2 0.01368120E+06 0.04367959E+01 0.02864363E+02 0.03308582E-01-0.02753919E-04 3 0.01399522E-07-0.04032581E-11 0.01396756E+06 0.05450493E+02 4 NAI(S) 81292I 1NA 1 S 0300.00 2000.00 1000.00 1 0.05987605E+02 0.01342139E-01-0.03807255E-06 0.01660138E-09-0.06066889E-13 2 -0.03648630E+06-0.02270427E+03 0.05407032E+02 0.04235908E-01-0.05679955E-04 3 0.04941357E-07-0.01602135E-10-0.03638396E+06-0.02000921E+03 4 NAO 80792NA 1O 1 G 0300.00 5000.00 1000.00 1 0.04349803E+02 0.02849959E-02-0.08615992E-06 0.01754054E-09-0.01301677E-13 2 0.08731694E+05 0.02618339E+02 0.03765728E+02 0.01980031E-01-0.01256303E-04 3 -0.03909831E-08 0.04664039E-11 0.08866889E+05 0.05562273E+02 4 NAO- 80792NA 1O 1E 1 G 0300.00 5000.00 1000.00 1 0.04343846E+02 0.02955424E-02-0.08923111E-06 0.01813572E-09-0.01343290E-13 2 -0.01592823E+06 0.01245911E+02 0.03740064E+02 0.02044313E-01-0.01291719E-04 3 -0.04080754E-08 0.04823669E-11-0.01578820E+06 0.04290303E+02 4 NAO2(S) 81092NA 1O 2 S 0300.00 2000.00 1000.00 1 0.07379480E+02 0.04377048E-01 0.06355202E-05-0.03238946E-08 0.06014399E-12 2 -0.03376432E+06-0.02946090E+03 0.07236605E+02 0.04751740E-01 0.03458707E-05 3 -0.02971627E-08 0.09124652E-12-0.03372514E+06-0.02872050E+03 4 NAO2AL(S) 81292AL 1NA 1O 2 S 0300.00 3000.00 1000.00 1 0.09963634E+02 0.02329677E-01-0.08188510E-07 0.02070425E-09-0.02306699E-12 2 -0.01394255E+07-0.04932653E+03 0.03669741E+02 0.02226343E+00-0.01558734E-03 3 -0.03446683E-07 0.05383614E-10-0.01381199E+07-0.01818990E+03 4 NAOH 80792H 1NA 1O 1 G 0300.00 5000.00 1000.00 1 0.05527852E+02 0.01420623E-01-0.04439615E-05 0.06635639E-09-0.03866820E-13 2 -0.02545869E+06-0.04374785E+02 0.04727895E+02 0.05001262E-01-0.04534391E-04 3 0.07051240E-08 0.06671123E-11-0.02537947E+06-0.07649678E+01 4 NAOH(L) 81092H 1NA 1O 1 L 0300.00 2500.00 1000.00 1 0.01061400E+03-0.03116447E-02-0.02964198E-05 0.05475463E-09 0.01021178E-12 2 -0.05327943E+06-0.05120959E+03 0.01079389E+03-0.08545728E-02 0.03780039E-05 3 -0.03848777E-08 0.01384542E-11-0.05332840E+06-0.05213201E+03 4 NAOH+ 80792H 1NA 1O 1E -1G 0300.00 5000.00 1000.00 1 0.05570452E+02 0.01387979E-01-0.04311444E-05 0.06372652E-09-0.03648954E-13 2 0.07985595E+06-0.02878876E+02 0.04974624E+02 0.04424591E-01-0.04296418E-04 3 0.01067747E-07 0.04168198E-11 0.07988680E+06-0.03068088E+01 4 NCN 103190C 1N 2 G 0300.00 4000.00 1500.00 1 0.06652121E+02 0.06108034E-02-0.01389727E-05 0.02695549E-10 0.01669944E-13 2 0.05172403E+06-0.01138517E+03 0.03101270E+02 0.09981674E-01-0.09920701E-04 3 0.04758919E-07-0.08968626E-11 0.05285757E+06 0.07317579E+02 4 NCO 110193C 1N 1O 1 G 0300.00 4000.00 1400.00 1 0.06072346E+02 0.09227829E-02-0.09845574E-06-0.04764123E-09 0.09090445E-13 2 0.01359820E+06-0.08507293E+02 0.03359593E+02 0.05393239E-01-0.08144585E-05 3 -0.01912868E-07 0.07836794E-11 0.01462809E+06 0.06549694E+02 4 NF 121286N 1F 1 G 0300.00 5000.00 1000.00 1 0.03862177E+02 0.07551806E-02-0.03044943E-05 0.05874447E-09-0.04187479E-13 2 0.02867243E+06 0.03457233E+02 0.02871947E+02 0.03312193E-01-0.02691159E-04 3 0.01121951E-07-0.02475131E-11 0.02896257E+06 0.08640247E+02 4 NFO 121286N 1F 1O 1 G 0300.00 5000.00 1000.00 1 0.05174520E+02 0.01938472E-01-0.08222701E-05 0.01564291E-08-0.01104497E-12 2 -0.09670935E+05-0.05352461E+01 0.03352307E+02 0.07229966E-01-0.06951137E-04 3 0.03828526E-07-0.01023558E-10-0.09167035E+05 0.08854189E+02 4 NFO2 121286N 1F 1O 2 G 0300.00 5000.00 1000.00 1 0.06816857E+02 0.03462640E-01-0.01492216E-04 0.02869665E-08-0.02041857E-12 2 -0.01560262E+06-0.09320129E+02 0.02447529E+02 0.01544110E+00-0.01300595E-03 3 0.04856383E-07-0.06852266E-11-0.01439400E+06 0.01328360E+03 4 NH 31387H 1N 1 G 0300.00 5000.00 1000.00 1 0.02760249E+02 0.01375346E-01-0.04451914E-05 0.07692792E-09-0.05017592E-13 2 0.04207828E+06 0.05857199E+02 0.03339758E+02 0.01253009E-01-0.03491646E-04 3 0.04218812E-07-0.01557618E-10 0.04185047E+06 0.02507181E+02 4 NH2 121686N 1H 2 G 0300.00 5000.00 1000.00 1 0.02961311E+02 0.02932699E-01-0.09063600E-05 0.01617257E-08-0.01204200E-12 2 0.02191977E+06 0.05777878E+02 0.03432493E+02 0.03299540E-01-0.06613600E-04 3 0.08590947E-07-0.03572047E-10 0.02177228E+06 0.03090111E+02 4 NH3 121386N 1H 3 G 0300.00 5000.00 1000.00 1 0.02461904E+02 0.06059166E-01-0.02004977E-04 0.03136003E-08-0.01938317E-12 2 -0.06493270E+05 0.07472097E+02 0.02204352E+02 0.01011476E+00-0.01465265E-03 3 0.01447235E-06-0.05328509E-10-0.06525488E+05 0.08127138E+02 4 NNH 120186N 2H 1 G 0250.00 4000.00 1000.00 1 0.04415342E+02 0.01614388E-01-0.01632894E-05-0.08559846E-09 0.01614791E-12 2 0.02788029E+06 0.09042888E+01 0.03501344E+02 0.02053587E-01 0.07170410E-05 3 0.04921348E-08-0.09671170E-11 0.02833347E+06 0.06391837E+02 4 NO 121286N 1O 1 G 0300.00 5000.00 1000.00 1 0.03245435E+02 0.01269138E-01-0.05015890E-05 0.09169283E-09-0.06275419E-13 2 0.09800840E+05 0.06417294E+02 0.03376542E+02 0.01253063E-01-0.03302751E-04 3 0.05217810E-07-0.02446263E-10 0.09817961E+05 0.05829590E+02 4 NO+ 121286N 1O 1E -1 G 0300.00 5000.00 1000.00 1 0.02914889E+02 0.01499335E-01-0.05727972E-05 0.01017777E-08-0.06825390E-13 2 0.01181869E+07 0.06844346E+02 0.03297349E+02 0.01422890E-01-0.04007441E-04 3 0.05670551E-07-0.02446972E-10 0.01180834E+07 0.04749948E+02 4 NO2 121286N 1O 2 G 0300.00 5000.00 1000.00 1 0.04682859E+02 0.02462429E-01-0.01042259E-04 0.01976902E-08-0.01391717E-12 2 0.02261292E+05 0.09885985E+01 0.02670600E+02 0.07838501E-01-0.08063865E-04 3 0.06161715E-07-0.02320150E-10 0.02896291E+05 0.01161207E+03 4 NO2- 121286N 1O 2E 1 G 0300.00 5000.00 1000.00 1 0.05043114E+02 0.02166428E-01-0.09455454E-05 0.01816314E-08-0.01238394E-12 2 -0.02621554E+06-0.01445905E+02 0.02448586E+02 0.08982507E-01-0.07853431E-04 3 0.03927277E-07-0.01071694E-10-0.02545097E+06 0.01213060E+03 4 NO3 121286N 1O 3 G 0300.00 5000.00 1000.00 1 0.07120307E+02 0.03246228E-01-0.01431613E-04 0.02797053E-08-0.02013008E-12 2 0.05864479E+05-0.01213730E+03 0.01221076E+02 0.01878797E+00-0.01344321E-03 3 0.01274601E-07 0.01354060E-10 0.07473144E+05 0.01840203E+03 4 O 120186O 1 G 0300.00 5000.00 1000.00 1 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3 -0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4 O+ 121286O 1E -1 G 0300.00 5000.00 1000.00 1 0.02501869E+02-0.06107262E-04 0.07324307E-07-0.03438353E-10 0.05506408E-14 2 0.01879553E+07 0.04372827E+02 0.02499273E+02 0.05820598E-04-0.01120922E-06 3 0.08232109E-10-0.01916378E-13 0.01879557E+07 0.04384826E+02 4 O- 90589O 1E 1 G 0300.00 5000.00 1000.00 1 0.02559581E+02-0.07147888E-03 0.03301804E-06-0.06660944E-10 0.04900727E-14 2 0.01148935E+06 0.04426187E+02 0.02747263E+02-0.05724860E-02 0.02712548E-05 3 0.02691512E-08-0.02002357E-11 0.01144395E+06 0.03469852E+02 4 O2 121386O 2 G 0300.00 5000.00 1000.00 1 0.03697578E+02 0.06135197E-02-0.01258842E-05 0.01775281E-09-0.01136435E-13 2 -0.01233930E+05 0.03189166E+02 0.03212936E+02 0.01127486E-01-0.05756150E-05 3 0.01313877E-07-0.08768554E-11-0.01005249E+05 0.06034738E+02 4 O2- 121286O 2E 1 G 0300.00 5000.00 1000.00 1 0.03883013E+02 0.07407872E-02-0.02961776E-05 0.05724305E-09-0.04086548E-13 2 -0.07121644E+05 0.02658212E+02 0.02872292E+02 0.03359716E-01-0.02664886E-04 3 0.09807524E-08-0.01670957E-11-0.06829094E+05 0.07938373E+02 4 O3 121286O 3 G 0300.00 5000.00 1000.00 1 0.05429371E+02 0.01820380E-01-0.07705607E-05 0.01499293E-08-0.01075563E-12 2 0.01523527E+06-0.03266387E+02 0.02462609E+02 0.09582781E-01-0.07087359E-04 3 0.01363368E-07 0.02969647E-11 0.01606152E+06 0.01214187E+03 4 OC(OH)2 103190C 1H 2O 3 G 0300.00 4000.00 1500.00 1 0.01143196E+03 0.02555103E-01-0.04326538E-05-0.05781341E-09 0.01545461E-12 2 -0.07904865E+06-0.03657201E+03 0.03540332E+01 0.03042528E+00-0.02939616E-03 3 0.01452934E-06-0.02906245E-10-0.07522630E+06 0.02250923E+03 4 OCHCHO 103190C 2H 2O 2 G 0300.00 4000.00 1500.00 1 0.01056843E+03 0.02907353E-01-0.03452401E-05-0.01037593E-08 0.02042135E-12 2 -0.02952623E+06-0.03104084E+03 0.01863564E+02 0.02298297E+00-0.01917997E-03 3 0.08558604E-07-0.01612346E-10-0.02634847E+06 0.01601674E+03 4 OCHNNHO 103190C 1H 2N 2O 2G 0300.00 4000.00 1500.00 1 0.01241397E+03 0.04091551E-01-0.04547841E-05-0.01752324E-08 0.03271472E-12 2 -0.06754774E+05-0.04078722E+03 0.01405275E+02 0.02776281E+00-0.02088466E-03 3 0.08550259E-07-0.01543486E-10-0.02537631E+05 0.01937723E+03 4 OH 121286O 1H 1 G 0300.00 5000.00 1000.00 1 0.02882730E+02 0.01013974E-01-0.02276877E-05 0.02174684E-09-0.05126305E-14 2 0.03886888E+05 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.01676165E-04 3 0.02387203E-07-0.08431442E-11 0.03606782E+05 0.01358860E+02 4 OH+ 121286O 1H 1E -1 G 0300.00 5000.00 1000.00 1 0.02719059E+02 0.01508571E-01-0.05029369E-05 0.08261952E-09-0.04947453E-13 2 0.01576341E+07 0.06234536E+02 0.03326979E+02 0.01345786E-01-0.03777168E-04 3 0.04687750E-07-0.01780982E-10 0.01574029E+07 0.02744042E+02 4 OH- 121286O 1H 1E 1 G 0300.00 5000.00 1000.00 1 0.02846205E+02 0.01041835E-01-0.02416851E-05 0.02483215E-09-0.07775605E-14 2 -0.01807280E+06 0.04422712E+02 0.03390038E+02 0.07922381E-02-0.01943430E-04 3 0.02001770E-07-0.05702087E-11-0.01830494E+06 0.01249892E+02 4 ONHNHO 103190H 2N 2O 2 G 0300.00 4000.00 1500.00 1 0.01005510E+03 0.03525461E-01-0.03868362E-05-0.01298654E-08 0.02398500E-12 2 0.07381692E+05-0.02950581E+03 0.07815142E+01 0.02605711E+00-0.02264714E-03 3 0.01049925E-06-0.02012847E-10 0.01062778E+06 0.02017946E+03 4 ONHNOH 103190H 2N 2O 2 G 0300.00 4000.00 1500.00 1 0.01120874E+03 0.02650303E-01-0.03760644E-05-0.06355768E-09 0.01466251E-12 2 -0.05721250E+05-0.03476475E+03 0.01053271E+02 0.02809676E+00-0.02637380E-03 3 0.01270757E-06-0.02478550E-10-0.02244769E+05 0.01937011E+03 4 S 121286S 1 G 0300.00 5000.00 1000.00 1 0.02902148E+02-0.05484546E-02 0.02764576E-05-0.05017115E-09 0.03150685E-13 2 0.03249423E+06 0.03838471E+02 0.03187329E+02-0.01595776E-01 0.02005531E-04 3 -0.01507081E-07 0.04931282E-11 0.03242259E+06 0.02414441E+02 4 S(L) 120186S 1 L 0388.36 2000.00 1000.00 1 0.03603667E+02 0.09903341E-02-0.01011441E-04 0.04053633E-08-0.05667914E-12 2 -0.08453839E+04-0.01634471E+03-0.01270631E+03 0.09072521E+00-0.01695179E-02 3 0.01307064E-05-0.03527615E-09 0.01234607E+05 0.05621016E+03 4 S(S) 120186S 1 S 0300.00 0388.36 0388.36 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-0.05063703E+02 0.02881935E-01-0.02133020E-03 3 0.08478786E-05-0.01734497E-07 0.07148263E+04 0.02871407E+03 4 S+ 121286S 1E -1 G 0300.00 5000.00 1000.00 1 0.02404600E+02 0.02410909E-02-0.02041780E-05 0.06592945E-09-0.05756939E-13 2 0.01535223E+07 0.05924256E+02 0.02366101E+02 0.09130767E-02-0.02140284E-04 3 0.02076178E-07-0.07133859E-11 0.01535091E+07 0.05993094E+02 4 S-TRIAZINE 41687C 3N 3H 3 G 0300.00 4000.00 1000.00 1 0.01303617E+03 0.07711820E-01-0.07724374E-05-0.04385191E-08 0.08298992E-12 2 0.02251663E+06-0.04777676E+03 0.04493492E+01 0.02728306E+00 0.02309305E-04 3 -0.01496844E-06 0.04546753E-10 0.02703032E+06 0.02178518E+03 4 S2 121386S 2 G 0300.00 5000.00 1000.00 1 0.03904443E+02 0.06925733E-02-0.01233097E-05 0.08783809E-11 0.01374662E-13 2 0.01425693E+06 0.04956834E+02 0.03157673E+02 0.03099480E-01-0.01560746E-04 3 -0.01357891E-07 0.01137444E-10 0.01439187E+06 0.08596062E+02 4 SH 121286S 1H 1 G 0300.00 5000.00 1000.00 1 0.03053810E+02 0.01258884E-01-0.04249169E-05 0.06929591E-09-0.04281691E-13 2 0.01588225E+06 0.05973551E+02 0.04133327E+02-0.03787893E-02-0.02777854E-04 3 0.05370112E-07-0.02394006E-10 0.01555862E+06 0.01611535E+01 4 SI 32989SI 1 G 0300.00 4000.00 1000.00 1 0.02775846E+02-0.06213257E-02 0.04843696E-05-0.01275615E-08 0.01134482E-12 2 0.05339791E+06 0.04543298E+02 0.03113515E+02-0.02330991E-01 0.03518531E-04 3 -0.02417573E-07 0.06391902E-11 0.05335062E+06 0.03009719E+02 4 SI(CH3)2 61991H 6C 2SI 1 G 0300.00 2500.00 1500.00 1 0.01092572E+03 0.07986807E-01-0.09096208E-06-0.01014552E-07 0.02037989E-11 2 0.01132561E+06-0.02834187E+03 0.02308663E+02 0.02773810E+00-0.01799333E-03 3 0.06733023E-07-0.01154743E-10 0.01442892E+06 0.01819319E+03 4 SI(CH3)3 61991H 9C 3SI 1 G 0300.00 2500.00 1500.00 1 0.01536389E+03 0.01242119E+00-0.01189769E-05-0.01630302E-07 0.03308576E-11 2 -0.05218398E+05-0.05088962E+03 0.03907073E+02 0.03734813E+00-0.02072025E-03 3 0.06180575E-07-0.08429605E-11-0.01002462E+05 0.01138100E+03 4 SI(CH3)3CH2 61991H 11C 4SI 1 G 0300.00 2500.00 1500.00 1 0.02061565E+03 0.01408136E+00-0.01497876E-05-0.01748111E-07 0.03468780E-11 2 -0.01240235E+06-0.07596671E+03 0.05258771E+02 0.04995369E+00-0.03393958E-03 3 0.01367592E-06-0.02513506E-10-0.06886708E+05 0.06814728E+02 4 SI(CH3)4 61991H 12C 4SI 1 G 0300.00 2500.00 1500.00 1 0.02023461E+03 0.01648004E+00-0.01486572E-05-0.02161245E-07 0.04377236E-11 2 -0.03702410E+06-0.07661021E+03 0.05009315E+02 0.04952953E+00-0.02745875E-03 3 0.08231031E-07-0.01137614E-10-0.03140314E+06 0.06187860E+02 4 SI(L) 90589SI 1 L 0300.00 4500.00 1000.00 1 0.03271263E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.04855058E+05-0.01329054E+03 0.03271263E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.04855059E+05-0.01329054E+03 4 SI(NH2)3 42489SI 1N 3H 6 G 0300.00 3000.00 1000.00 1 0.01406550E+03 0.07581744E-01-0.05168510E-05-0.06743626E-08 0.01397926E-11 2 -0.01414403E+06-0.04063874E+03 0.07598413E+02 0.02435266E+00-0.04296202E-04 3 -0.01756007E-06 0.01050102E-09-0.01265343E+06-0.07808647E+02 4 SI(NH2)4 22790SI 1N 4H 8 G 0300.00 4000.00 1000.00 1 0.02032107E+03 0.08289798E-01-0.07077612E-05-0.04340724E-08 0.07747068E-12 2 -0.05389855E+06-0.07730464E+03 0.08454529E+02 0.03465772E+00-0.04266782E-04 3 -0.02495363E-06 0.01365466E-09-0.05061518E+06-0.01514301E+03 4 SI(S) 90589SI 1 S 0300.00 2500.00 1000.00 1 0.02530275E+02 0.08522433E-02-0.03223469E-05 0.01280821E-08-0.01850849E-12 2 -0.08395197E+04-0.01251478E+03 0.05746418E+01 0.01026485E+00-0.01775346E-03 3 0.01457500E-06-0.04491292E-10-0.04969951E+04-0.03400243E+02 4 SI2 111191SI 2 G 0300.00 4000.00 1500.00 1 0.04402888E+02 0.01154530E-02-0.06005177E-06 0.01469072E-09-0.01357408E-13 2 0.07199220E+06 0.02340066E+02 0.03439839E+02 0.03440171E-01-0.04437681E-04 3 0.02559961E-07-0.05474618E-11 0.07222934E+06 0.07148545E+02 4 SI2C 112989C 1SI 2 G 0300.00 5000.00 1000.00 1 0.06334110E+02 0.01210252E-01-0.06798289E-05 0.02244433E-08-0.02280178E-12 2 0.06227189E+06-0.07770097E+02 0.04157246E+02 0.07031825E-01-0.07263033E-04 3 0.04633583E-07-0.01493448E-10 0.06292421E+06 0.03635126E+02 4 SI2CL5 40992SI 2CL 5 G 0300.00 4000.00 1500.00 1 0.01800427E+03 0.05920529E-02-0.03159743E-05 0.07962538E-09-0.07553642E-13 2 -0.08208587E+06-0.04815622E+03 0.01218195E+03 0.02086930E+00-0.02723261E-03 3 0.01583266E-06-0.03404617E-10-0.08066122E+06-0.01913372E+03 4 SI2CL5H 40992H 1SI 2CL 5 G 0300.00 4000.00 1500.00 1 0.01977366E+03 0.01346980E-01-0.04241463E-05 0.05994784E-09-0.03079337E-13 2 -0.01018307E+07-0.05982624E+03 0.01104810E+03 0.02909474E+00-0.03536307E-03 3 0.01998957E-06-0.04259074E-10-0.09941194E+06-0.01536396E+03 4 SI2CL6 40992SI 2CL 6 G 0300.00 4000.00 1500.00 1 0.02095456E+03 0.06904584E-02-0.03881968E-05 0.01014163E-08-0.09844696E-13 2 -0.01238540E+07-0.06426893E+03 0.01372380E+03 0.02622361E+00-0.03460508E-03 3 0.02024950E-06-0.04371480E-10-0.01221143E+07-0.02834094E+03 4 SI2F6 42489SI 2F 6 G 0300.00 3000.00 1000.00 1 0.01830048E+03 0.02868753E-01-0.04545577E-05-0.02497900E-08 0.06630658E-12 2 -0.02928185E+07-0.05760425E+03 0.09998134E+02 0.02170314E+00-0.03875092E-04 3 -0.01670252E-06 0.09407529E-10-0.02905483E+07-0.01422886E+03 4 SI2H2 111191H 2SI 2 G 0300.00 4000.00 1500.00 1 0.08099063E+02 0.01294220E-01-0.02447198E-05-0.01449512E-09 0.05867240E-13 2 0.04476428E+06-0.01877323E+03 0.09668390E+01 0.01932959E+00-0.01825422E-03 3 0.08404012E-07-0.01537228E-10 0.04712241E+06 0.01907609E+03 4 SI2H3 90589SI 2H 3 G 0300.00 2000.00 1000.00 1 0.07257627E+02 0.05123860E-01-0.07633465E-05-0.06662471E-08 0.02053053E-11 2 0.05062055E+06-0.01031413E+03 0.03335404E+02 0.02155615E+00-0.02933937E-03 3 0.02287785E-06-0.07272827E-10 0.05146157E+06 0.08656853E+02 4 SI2H5 90589SI 2H 5 G 0300.00 2000.00 1000.00 1 0.08451010E+02 0.09286371E-01-0.01091183E-04-0.01442367E-07 0.04250825E-11 2 0.02472719E+06-0.01710331E+03 0.01578848E+02 0.03549383E+00-0.04267511E-03 3 0.03059177E-06-0.09360425E-10 0.02630550E+06 0.01672073E+03 4 SI2H6 90589SI 2H 6 G 0300.00 2000.00 1000.00 1 0.08882090E+02 0.01151395E+00-0.01216216E-04-0.01905086E-07 0.05542379E-11 2 0.05967242E+05-0.02265611E+03 0.05301921E+01 0.04184056E+00-0.04685249E-03 3 0.03179525E-06-0.09484526E-10 0.07950598E+05 0.01880453E+03 4 SI3 32989SI 3 G 0300.00 4000.00 1000.00 1 0.07021585E+02 0.06981538E-02-0.04818729E-05 0.01720754E-08-0.01927025E-12 2 0.07429956E+06-0.08179233E+02 0.05312161E+02 0.05920181E-01-0.05075225E-04 3 0.05303866E-08 0.07031630E-11 0.07469502E+06 0.04036452E+01 4 SI3H8 90589SI 3H 8 G 0300.00 2000.00 1000.00 1 0.01342277E+03 0.01563632E+00-0.01936565E-04-0.02388330E-07 0.07120030E-11 2 0.09165887E+05-0.04163000E+03 0.06319791E+01 0.06412995E+00-0.07772444E-03 3 0.05486969E-06-0.01646097E-09 0.01209258E+06 0.02133318E+03 4 SI3N4(A) 42589N 4SI 3 S 0300.00 3000.00 1000.00 1 0.09667453E+02 0.01192721E+00-0.01709282E-04-0.01084607E-07 0.02713018E-11 2 -0.09324734E+06-0.04556492E+03 0.06631384E+02 0.02293929E+00-0.02152876E-03 3 0.01766237E-06-0.06632215E-10-0.09241684E+06-0.03021795E+03 4 SIC 112989C 1SI 1 G 0300.00 5000.00 1000.00 1 0.05024270E+02-0.04920894E-02 0.03109315E-05-0.06901344E-09 0.05215735E-13 2 0.08531026E+06-0.02478798E+02 0.02427812E+02 0.09551934E-01-0.02796633E-04 3 -0.01360012E-06 0.09196323E-10 0.08546512E+06 0.09179253E+02 4 SIC(B) 112989C 1SI 1 S 0300.00 4000.00 1000.00 1 0.03548057E+02 0.03636817E-01-0.01734873E-04 0.03912869E-08-0.03337953E-12 2 -0.01018858E+06-0.01967253E+03-0.03551396E+01 0.01599881E+00-0.01393327E-03 3 0.03314914E-07 0.07825957E-11-0.09294352E+05-0.01515388E+01 4 SIC2 112989C 2SI 1 G 0300.00 5000.00 1000.00 1 0.05753726E+02 0.02067546E-01-0.01132535E-04 0.03106456E-08-0.02799937E-12 2 0.07200461E+06-0.05294927E+02 0.03647725E+02 0.08765100E-01-0.01079869E-03 3 0.07974287E-07-0.02617042E-10 0.07258578E+06 0.05481050E+02 4 SICCH 61991H 1C 2SI 1 G 0300.00 2500.00 1500.00 1 0.08229114E+02 0.01220783E-01-0.01179375E-05-0.03293923E-09 0.02957217E-13 2 0.06029046E+06-0.01793033E+03 0.03946147E+02 0.01353938E+00-0.01476061E-03 3 0.08141935E-07-0.01743041E-10 0.06163490E+06 0.04400106E+02 4 SICH 61991H 1C 1SI 1 G 0300.00 2500.00 1500.00 1 0.06212049E+02 0.05590981E-02-0.07015929E-06 0.03497540E-09-0.01203199E-12 2 0.06044180E+06-0.08520574E+02 0.03822068E+02 0.07938745E-01-0.09707239E-04 3 0.05877454E-07-0.01338338E-10 0.06118631E+06 0.03835953E+02 4 SICH2 61991H 2C 1SI 1 G 0300.00 2500.00 1500.00 1 0.06246250E+02 0.02147775E-01-0.06406396E-06-0.02067218E-08 0.03841890E-12 2 0.03490992E+06-0.08995611E+02 0.02794283E+02 0.01138805E+00-0.01041700E-03 3 0.05368052E-07-0.01132779E-10 0.03606279E+06 0.09246714E+02 4 SICH3 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1 0.06681751E+02 0.03837387E-01-0.06162348E-06-0.04678285E-08 0.09346313E-12 2 0.03472013E+06-0.01022379E+03 0.02444652E+02 0.01367883E+00-0.09266249E-04 3 0.03704818E-07-0.06763833E-11 0.03624755E+06 0.01263619E+03 4 SICL 121986SI 1CL 1 G 0300.00 2000.00 1000.00 1 0.04258460E+02 0.04020317E-02-0.02888145E-05 0.01009777E-08-0.01411012E-12 2 0.01775614E+06 0.04134521E+02 0.03096406E+02 0.05738623E-01-0.09740903E-04 3 0.07643597E-07-0.02279179E-10 0.01796795E+06 0.09603212E+02 4 SICL2 121986SI 1CL 2 G 0300.00 2000.00 1000.00 1 0.06491205E+02 0.08242384E-02-0.05767737E-05 0.01972405E-08-0.02713757E-12 2 -0.02232408E+06-0.03570531E+02 0.03826666E+02 0.01308296E+00-0.02234087E-03 3 0.01760742E-06-0.05267404E-10-0.02183869E+06 0.08965448E+02 4 SICL2H2 121986SI 1H 2CL 2 G 0300.00 2000.00 1000.00 1 0.07727079E+02 0.05034189E-01-0.01095746E-04-0.04419587E-08 0.01631124E-11 2 -0.04028605E+06-0.01170816E+03 0.01100209E+02 0.03262362E+00-0.04691995E-03 3 0.03494565E-06-0.01036285E-09-0.03892087E+06 0.02022693E+03 4 SICL3 121986SI 1CL 3 G 0300.00 2000.00 1000.00 1 0.09098097E+02 0.01405353E-01-0.09317005E-05 0.02982296E-08-0.03822011E-12 2 -0.04140193E+06-0.01455012E+03 0.04485691E+02 0.02241754E+00-0.03794196E-03 3 0.02973183E-06-0.08861335E-10-0.04055264E+06 0.07198771E+02 4 SICL3CH2CH 10891C 2CL 3H 5SI 1G 0300.00 4000.00 1500.00 1 0.02087242E+03 0.05492755E-01-0.06829558E-05-0.01876697E-08 0.03787112E-12 2 -0.07972510E+06-0.07741949E+03 0.04624781E+02 0.04378379E+00-0.03850522E-03 3 0.01844376E-06-0.03709272E-10-0.07377043E+06 0.01029869E+03 4 SICL3H 121986SI 1H 1CL 3 G 0300.00 2000.00 1000.00 1 0.09663121E+02 0.03563368E-01-0.01214911E-04-0.01609009E-09 0.05641710E-12 2 -0.06295557E+06-0.01894777E+03 0.02883770E+02 0.03308241E+00-0.05169241E-03 3 0.03949918E-06-0.01172104E-09-0.06163323E+06 0.01337466E+03 4 SICL4 121986SI 1CL 4 G 0300.00 2000.00 1000.00 1 0.01170938E+03 0.01972092E-01-0.01269077E-04 0.03900188E-08-0.04756468E-12 2 -0.08347808E+06-0.02791153E+03 0.05252110E+02 0.03122067E+00-0.05254593E-03 3 0.04102707E-06-0.01219907E-09-0.08228177E+06 0.02575727E+02 4 SICLH3 121986SI 1H 3CL 1 G 0300.00 2000.00 1000.00 1 0.05964238E+02 0.06278087E-01-0.08205635E-05-0.09280558E-08 0.02796643E-11 2 -0.01854309E+06-0.06395305E+02 0.05057173E+01 0.02703378E+00-0.03301474E-03 3 0.02302732E-06-0.06778703E-10-0.01730819E+06 0.02043167E+03 4 SIF 42489SI 1F 1 G 0300.00 3000.00 1000.00 1 0.04120067E+02 0.03548821E-02-0.07200222E-06-0.02190434E-09 0.06764591E-13 2 -0.07561378E+05 0.02784246E+02 0.03144948E+02 0.02588557E-01-0.05795912E-05 3 -0.01807279E-07 0.01041172E-10-0.07294439E+05 0.07876774E+02 4 SIF(NH2)2 22790SI 1F 1N 2H 4G 0300.00 4000.00 1000.00 1 0.01287944E+03 0.04598535E-01-0.04004441E-05-0.02374189E-08 0.04255211E-12 2 -0.05238279E+06-0.03653418E+03 0.07210094E+02 0.01764698E+00-0.02542060E-04 3 -0.01242214E-06 0.06989787E-10-0.05086706E+06-0.07024622E+02 4 SIF(NH2)3 42489SI 1N 3H 6F 1G 0300.00 3000.00 1000.00 1 0.01611180E+03 0.08329222E-01-0.06023787E-05-0.07470125E-08 0.01570731E-11 2 -0.09137007E+06-0.05098123E+03 0.08388268E+02 0.02746622E+00-0.04455675E-04 3 -0.01955733E-06 0.01140721E-09-0.08947806E+06-0.01138178E+03 4 SIF2 42489SI 1F 2 G 0300.00 3000.00 1000.00 1 0.06142470E+02 0.07807974E-02-0.01339312E-05-0.06264839E-09 0.01725138E-12 2 -0.07744042E+06-0.04712327E+02 0.03845345E+02 0.06038465E-01-0.01167732E-04 3 -0.04579554E-07 0.02607414E-10-0.07681634E+06 0.07272984E+02 4 SIF2(NH2)2 42489SI 1N 2H 4F 2G 0300.00 3000.00 1000.00 1 0.01441477E+03 0.06110646E-01-0.04871145E-05-0.05455935E-08 0.01172714E-11 2 -0.01292757E+07-0.04308682E+03 0.07634268E+02 0.02315843E+00-0.04193827E-04 3 -0.01715351E-06 0.01016462E-09-0.01276410E+07-0.08419031E+02 4 SIF2N 42489SI 1N 1F 2 G 0300.00 3000.00 1000.00 1 0.08687337E+02 0.01193488E-01-0.01992661E-05-0.09951334E-09 0.02704383E-12 2 -0.03463832E+06-0.01494053E+03 0.05102583E+02 0.09456606E-01-0.01819383E-04 3 -0.07309616E-07 0.04178902E-10-0.03367294E+06 0.03734424E+02 4 SIF2NH2 42489SI 1N 1F 2H 2G 0300.00 3000.00 1000.00 1 0.09872415E+02 0.03722112E-01-0.03271338E-05-0.03321674E-08 0.07293692E-12 2 -0.08751628E+06-0.01899096E+03 0.05890444E+02 0.01285128E+00-0.01863556E-04 3 -0.08718963E-07 0.04848951E-10-0.08644527E+06 0.01756163E+02 4 SIF3 42489SI 1F 3 G 0300.00 3000.00 1000.00 1 0.08524790E+02 0.01323792E-01-0.02104279E-05-0.01149504E-08 0.03055301E-12 2 -0.01223522E+07-0.01550234E+03 0.04662868E+02 0.01008788E+00-0.01805544E-04 3 -0.07769299E-07 0.04377852E-10-0.01212965E+07 0.04672966E+02 4 SIF3NH 42489SI 1N 1F 3H 1G 0300.00 3000.00 1000.00 1 0.01163766E+03 0.02880769E-01-0.03357310E-05-0.02584594E-08 0.06162371E-12 2 -0.01295891E+07-0.02590718E+03 0.06013822E+02 0.01597729E+00-0.02791466E-04 3 -0.01214120E-06 0.06927415E-10-0.01280974E+07 0.03316771E+02 4 SIF3NH2 42489SI 1N 1F 3H 2G 0300.00 3000.00 1000.00 1 0.01210964E+03 0.04383282E-01-0.04142245E-05-0.03989090E-08 0.08958954E-12 2 -0.01641768E+07-0.03046928E+03 0.06229403E+02 0.01778015E+00-0.02612304E-04 3 -0.01267243E-06 0.07044556E-10-0.01625849E+07 0.02045441E+01 4 SIF3NHSIH3 42489SI 2N 1H 4F 3G 0300.00 3000.00 1000.00 1 0.01669941E+03 0.07789785E-01-0.08110570E-05-0.07650199E-08 0.01773956E-11 2 -0.01673412E+07-0.05080007E+03 0.06216046E+02 0.02939330E+00-0.02717745E-04 3 -0.01982878E-06 0.01002768E-09-0.01642282E+07 0.04858261E+02 4 SIF3NSIH3 42489SI 2N 1H 3F 3G 0300.00 3000.00 1000.00 1 0.01599146E+03 0.06371086E-01-0.07256824E-05-0.06292690E-08 0.01495157E-11 2 -0.01331158E+07-0.04495265E+03 0.06404372E+02 0.02601982E+00-0.02491543E-04 3 -0.01769542E-06 0.08919883E-10-0.01302520E+07 0.06002945E+02 4 SIF4 41389F 4SI 1 G 0300.00 2000.00 1000.00 1 0.09985301E+02 0.03532637E-01-0.01197378E-04-0.01036549E-08 0.08661585E-12 2 -0.01977200E+07-0.02472644E+03 0.02147416E+02 0.03402219E+00-0.04756874E-03 3 0.03252196E-06-0.08819304E-10-0.01960449E+07 0.01346315E+03 4 SIFH3 42489SI 1F 1H 3 G 0300.00 3000.00 1000.00 1 0.06799678E+02 0.04747086E-01-0.04767067E-05-0.04814665E-08 0.01107761E-11 2 -0.04577024E+06-0.01261433E+03 0.02032190E+02 0.01341363E+00-0.02806381E-05 3 -0.07803291E-07 0.03337474E-10-0.04421627E+06 0.01318768E+03 4 SIFNH 42489SI 1N 1F 1H 1G 0300.00 3000.00 1000.00 1 0.07163299E+02 0.01521325E-01-0.01536337E-05-0.01195933E-08 0.02684100E-12 2 -0.09065496E+05-0.06764144E+02 0.05390691E+02 0.06071319E-01-0.01359490E-04 3 -0.04267435E-07 0.02603154E-10-0.08644237E+05 0.02272065E+02 4 SIFNH2 22790F 1SI 1N 1H 2G 0300.00 4000.00 1000.00 1 0.08017582E+02 0.03209103E-01-0.03361364E-05-0.01796537E-08 0.03385552E-12 2 -0.04313426E+06-0.01487024E+03 0.04214050E+02 0.01105423E+00-0.01014725E-04 3 -0.07143728E-07 0.03634923E-10-0.04200629E+06 0.05318890E+02 4 SIH 121986SI 1H 1 G 0300.00 2000.00 1000.00 1 0.03110430E+02 0.01094946E-01 0.02898629E-06-0.02745104E-08 0.07051799E-12 2 0.04516898E+06 0.04193487E+02 0.03836010E+02-0.02702657E-01 0.06849070E-04 3 -0.05424184E-07 0.01472131E-10 0.04507593E+06 0.09350778E+01 4 SIH2 42489SI 1H 2 G 0300.00 3000.00 1000.00 1 0.04142390E+02 0.02150191E-01-0.02190730E-05-0.02073725E-08 0.04741018E-12 2 0.03110484E+06 0.02930745E+01 0.03475092E+02 0.02139338E-01 0.07672306E-05 3 0.05217668E-08-0.09898824E-11 0.03147397E+06 0.04436585E+02 4 SIH2CL 121986SI 1H 2CL 1 G 0300.00 2000.00 1000.00 1 0.05555902E+02 0.04046479E-01-0.06581751E-05-0.05027548E-08 0.01599110E-11 2 0.01912428E+05-0.01906890E+02 0.01699256E+02 0.01961407E+00-0.02622973E-03 3 0.01936417E-06-0.05846399E-10 0.02743662E+05 0.01683133E+03 4 SIH2F 42489SI 1F 1H 2 G 0300.00 3000.00 1000.00 1 0.06020399E+02 0.03074040E-01-0.03248887E-05-0.03052243E-08 0.07098090E-12 2 -0.02347670E+06-0.05919595E+02 0.02782566E+02 0.09148257E-01-0.04186788E-05 3 -0.05388971E-07 0.02412133E-10-0.02244201E+06 0.01152854E+03 4 SIH2F2 42489SI 1H 2F 2 G 0300.00 3000.00 1000.00 1 0.07997762E+02 0.03911538E-01-0.04222679E-05-0.03913812E-08 0.09171569E-12 2 -0.09682880E+06-0.01622400E+03 0.02701455E+02 0.01456545E+00-0.01163300E-04 3 -0.09685830E-07 0.04769591E-10-0.09522440E+06 0.01200689E+03 4 SIH3 42489SI 1H 3 G 0300.00 3000.00 1000.00 1 0.05015906E+02 0.03732750E-01-0.03609053E-05-0.03729193E-08 0.08468490E-12 2 0.02190233E+06-0.04291368E+02 0.02946733E+02 0.06466764E-01 0.05991653E-05 3 -0.02218413E-07 0.03052670E-11 0.02270173E+06 0.07347948E+02 4 SIH3NH2 42489SI 1N 1H 5 G 0300.00 3000.00 1000.00 1 0.08109945E+02 0.07215753E-01-0.06052251E-05-0.07086088E-08 0.01557864E-11 2 -0.08999782E+05-0.01651650E+03 0.02936348E+02 0.01674704E+00-0.03232859E-05 3 -0.09171970E-07 0.03979516E-10-0.07334716E+05 0.01141437E+03 4 SIH3NHSIH3 42489SI 2N 1H 7 G 0300.00 3000.00 1000.00 1 0.01265296E+03 0.01066748E+00-0.01007336E-04-0.01081222E-07 0.02452364E-11 2 -0.01249721E+06-0.03441428E+03 0.02468750E+02 0.02940255E+00-0.06248179E-05 3 -0.01731462E-06 0.07545261E-10-0.09209690E+05 0.02059560E+03 4 SIH3NSIH3 42489SI 2N 1H 6 G 0300.00 3000.00 1000.00 1 0.01201462E+03 0.09187517E-01-0.09159516E-05-0.09380967E-08 0.02156435E-11 2 0.01965066E+06-0.02978186E+03 0.02827574E+02 0.02580647E+00-0.04200478E-05 3 -0.01503859E-06 0.06388325E-10 0.02265351E+06 0.01997012E+03 4 SIH3SIH2CH3 111391H 8C 1SI 2 G 0300.00 4000.00 1500.00 1 0.01886736E+03 0.06449996E-01-0.06896411E-05-0.02584789E-08 0.04830521E-12 2 -0.06620909E+05-0.07374424E+03 0.02132164E+02 0.04348657E+00-0.03495608E-03 3 0.01588231E-06-0.03150773E-10-0.02040937E+04 0.01752930E+03 4 SIH4 121386SI 1H 4 G 0300.00 4000.00 1000.00 1 0.06893874E+02 0.04030501E-01-0.04183314E-05-0.02291395E-08 0.04384766E-12 2 0.01107037E+05-0.01749117E+03 0.02475167E+02 0.09003721E-01 0.02185394E-04 3 -0.02681423E-07-0.06621081E-11 0.02925488E+05 0.07751015E+02 4 SIHCL2 121986SI 1H 1CL 2 G 0300.00 2000.00 1000.00 1 0.07229734E+02 0.02869206E-01-0.08849876E-05-0.07495866E-09 0.05752338E-12 2 -0.01971399E+06-0.07052663E+02 0.02368353E+02 0.02401088E+00-0.03717220E-03 3 0.02851998E-06-0.08530494E-10-0.01875884E+06 0.01614587E+03 4 SIHF 42489SI 1F 1H 1 G 0300.00 3000.00 1000.00 1 0.05073509E+02 0.01533279E-01-0.01840659E-05-0.01440038E-08 0.03452517E-12 2 -0.01973880E+06-0.01079507E+02 0.03223728E+02 0.04981221E-01-0.03173051E-05 3 -0.02822231E-07 0.01247832E-10-0.01914168E+06 0.08906423E+02 4 SIHF2 42489SI 1H 1F 2 G 0300.00 3000.00 1000.00 1 0.07216536E+02 0.02253240E-01-0.02737472E-05-0.02173460E-08 0.05255331E-12 2 -0.07280241E+06-0.09783487E+02 0.03377237E+02 0.01036607E+00-0.01239082E-04 3 -0.07267982E-07 0.03794989E-10-0.07168358E+06 0.01052189E+03 4 SIHF3 42489SI 1H 1F 3 G 0300.00 3000.00 1000.00 1 0.09363567E+02 0.02947556E-01-0.03577633E-05-0.02858224E-08 0.06915729E-12 2 -0.01486074E+07-0.02169453E+03 0.03918053E+02 0.01463917E+00-0.01856070E-04 3 -0.01058200E-06 0.05617543E-10-0.01470439E+07 0.07024261E+02 4 SIN 42489SI 1N 1 G 0300.00 3000.00 1000.00 1 0.04122909E+02 0.03521458E-02-0.07161081E-06-0.02154956E-09 0.06667571E-13 2 0.05683927E+06 0.02389838E+02 0.03149182E+02 0.02584376E-01-0.05804625E-05 3 -0.01805627E-07 0.01041095E-10 0.05710564E+06 0.07474389E+02 4 SINH 42489SI 1N 1H 1 G 0300.00 3000.00 1000.00 1 0.04928801E+02 0.01628624E-01-0.01367197E-05-0.01390460E-08 0.02998969E-12 2 0.01767790E+06-0.02823472E+02 0.03166975E+02 0.05805823E-01-0.09524443E-05 3 -0.03991893E-07 0.02283188E-10 0.01813561E+06 0.06298440E+02 4 SINH2 42489SI 1N 1H 2 G 0300.00 3000.00 1000.00 1 0.05186436E+02 0.03016656E-01-0.02165476E-05-0.02722658E-08 0.05706182E-12 2 0.02270508E+06-0.01242140E+02 0.03362770E+02 0.07261176E-01-0.08721233E-05 3 -0.04400014E-07 0.02419532E-10 0.02318446E+06 0.08223867E+02 4 SN 121286S 1N 1 G 0300.00 5000.00 1000.00 1 0.03888287E+02 0.06778427E-02-0.02725309E-05 0.05135927E-09-0.03593836E-13 2 0.03044496E+06 0.04194291E+02 0.03407346E+02 0.01797887E-01-0.02018970E-04 3 0.02107857E-07-0.09527592E-11 0.03062373E+06 0.06821481E+02 4 SO 121286S 1O 1 G 0300.00 5000.00 1000.00 1 0.04021078E+02 0.02584856E-02 0.08948142E-06-0.03580145E-09 0.03228430E-13 2 -0.07119620E+04 0.03452523E+02 0.03080401E+02 0.01803106E-01 0.06705022E-05 3 -0.02069005E-07 0.08514657E-11-0.03986163E+04 0.08581028E+02 4 SO2 121286S 1O 2 G 0300.00 5000.00 1000.00 1 0.05254498E+02 0.01978545E-01-0.08204226E-05 0.01576383E-08-0.01120451E-12 2 -0.03756886E+06-0.01146056E+02 0.02911439E+02 0.08103022E-01-0.06906710E-04 3 0.03329016E-07-0.08777121E-11-0.03687882E+06 0.01111740E+03 4 SO3 121286S 1O 3 G 0300.00 5000.00 1000.00 1 0.07050668E+02 0.03246560E-01-0.01408897E-04 0.02721535E-08-0.01942365E-12 2 -0.05020668E+06-0.01106443E+03 0.02575283E+02 0.01515092E+00-0.01229872E-03 3 0.04240257E-07-0.05266812E-11-0.04894411E+06 0.01219512E+03 4 C6H5OCH3 3/21/90 THERMC 7H 8O 1 0G 300.000 5000.000 1390.000 21 2.08232998E+01 2.01758743E-02-6.90254285E-06 1.07321176E-09-6.23720172E-14 2 -1.87639795E+04-8.86750573E+01-5.45371100E+00 8.73324555E-02-7.35713707E-05 3 3.14739249E-08-5.39445775E-12-1.02712222E+04 5.03122661E+01 4 C2H3CHO 4/25/90 C 3H 4O 1 0G 300.000 5000.000 1378.000 11 9.03638358E+00 1.07173229E-02-3.72865825E-06 5.85534250E-10-3.42429200E-14 2 -1.15747718E+04-2.24352026E+01 1.79579919E+00 2.39701736E-02-1.13561865E-05 3 1.66265734E-09 1.44193850E-13-8.67545444E+03 1.77816824E+01 4 MECY14PD3 BOZZELLI C 6H 7 0 0G 300.000 5000.000 1352.000 11 1.64509401E+01 1.80104599E-02-6.44365088E-06 1.03095614E-09-6.10814842E-14 2 1.54366624E+04-6.72601234E+01-9.87511632E-01 4.83156342E-02-2.09426592E-05 3 6.71221112E-10 1.09340225E-12 2.25173499E+04 3.00704019E+01 4 C-C5H4O BURCAT C 5H 4O 1 0G 300.000 5000.000 1000.000 1 0.12606535E 02 0.16747067E-01-0.61097587E-05 0.99674576E-09-0.60111834E-13 2 0.14114657E 04-0.42604911E 02 0.23043601E 00 0.32322572E-01 0.28900908E-04 3 -0.70680613E-07 0.33407174E-10 0.55554724E 04 0.25330946E 02 4 C-C5H4OH BURCAT C 5H 5O 1 0G 300.000 5000.000 1000.000 1 0.13367777E 02 0.15205911E-01-0.54592662E-05 0.88135325E-09-0.52774563E-13 2 0.47218184E 04-0.45920099E 02-0.12820812E 01 0.49040075E-01-0.13687402E-04 3 -0.29134476E-07 0.19006885E-10 0.88893319E 04 0.30797801E 02 4 C6H5CH3 MAR95 C 7H 8 0 0G 300.000 5000.000 1389.000 1 1.63091542E 01 2.25331612E-02-7.84281827E-06 1.23200630E-09-7.20675043E-14 2 -2.66241940E 03-6.59814631E 01-4.08982289E 00 6.86477373E-02-4.74716566E-05 3 1.67001205E-08-2.39578007E-12 4.59499696E 03 4.41527734E 01 4 P-XYLENE L 2/84C 8H 10 0 0G 300.000 5000.000 1000.000 1 0.15268401E+02 0.34433573E-01-0.13685810E-04 0.21177802E-08-0.11564062E-12 2 -0.61602461E+04-0.59529587E+02-0.16422014E+01 0.58058664E-01 0.55675910E-05 3 -0.45693085E-07 0.21727536E-10 0.10412372E+03 0.34509140E+02 4 C6H5C2H5 C 8H 10 0 0G 300.000 5000.000 1397.000 21 2.02816724E+01 2.59464082E-02-8.92667064E-06 1.39161163E-09-8.09786280E-14 2 -6.88695837E+03-8.65892579E+01-5.93600077E+00 8.94618416E-02-6.81230510E-05 3 2.66103734E-08-4.21398102E-12 1.94317497E+03 5.33309542E+01 4 LONG0003 3/ 8/90 C 7H 8O 1 0G 300.000 5000.000 1396.000 21 1.81575155E+01 2.26620146E-02-7.79454113E-06 1.21491074E-09-7.06883434E-14 2 -2.13319736E+04-7.19512787E+01-3.72475901E+00 7.42375044E-02-5.41481788E-05 3 2.01178934E-08-3.02199053E-12-1.38224993E+04 4.53342817E+01 4 BIBENZYL C 14H 14 0 0G 300.000 5000.000 1392.000 21 3.48131330E+01 3.78396057E-02-1.27934440E-05 1.97366490E-09-1.14091685E-13 2 -3.11362732E+02-1.63384186E+02-1.05318902E+01 1.48504587E-01-1.15713218E-04 3 4.52836955E-08-7.06388895E-12 1.47378885E+04 7.80962493E+01 4 LONG0002 AVG CRESOL C 7H 8O 1 0G 300.000 5000.000 1400.000 21 1.97311724E+01 2.12245074E-02-7.27602659E-06 1.13158989E-09-6.57395287E-14 2 -2.50451776E+04-8.18783394E+01-4.17663565E+00 8.29479164E-02-6.92618926E-05 3 2.97047387E-08-5.12027914E-12-1.73715284E+04 4.43681107E+01 4 OC6H4CH3 AVG CRESOL C 7H 7O 1 0G 300.000 5000.000 1398.000 11 2.00333477E+01 1.83142467E-02-6.17265091E-06 9.50353551E-10-5.48634044E-14 2 -7.76864165E+03-8.60606102E+01-3.82920147E+00 7.73376217E-02-6.15929083E-05 3 2.43728641E-08-3.80779615E-12 2.89377185E+01 4.06647799E+01 4 C-C5H5O 5/16/90 THERMC 5H 5O 1 0G 300.000 5000.000 1392.000 01 1.48322894E+01 1.40483376E-02-4.92302051E-06 7.77041219E-10-4.56103939E-14 2 1.45523665E+04-5.73228191E+01-2.83112840E+00 5.67277287E-02-4.44757303E-05 3 1.74924447E-08-2.76004847E-12 2.04992154E+04 3.69634411E+01 4 C6H5C2H3 TRC TABLES C 8H 8 0 0G 300.000 5000.000 1400.000 11 1.94675525E+01 2.19916239E-02-7.56672249E-06 1.17967158E-09-6.86483959E-14 2 8.16106600E+03-8.19394370E+01-5.75443698E+00 8.70398896E-02-7.28533682E-05 3 3.12720079E-08-5.39379278E-12 1.62673706E+04 5.12775455E+01 4 C6H5CHO 5/16/90 THERMC 7H 6O 1 0G 300.000 5000.000 1386.000 11 1.74024893E+01 1.89508317E-02-6.58694307E-06 1.03413046E-09-6.04793155E-14 2 -1.31418522E+04-6.83371315E+01-2.37082285E+00 6.28843128E-02-4.26460754E-05 3 1.39416083E-08-1.74474949E-12-6.11656186E+03 3.85478773E+01 4 C6H5CO THERM C 7H 5O 1 0G 300.000 5000.000 1392.000 11 1.75116258E+01 1.62650511E-02-5.65051892E-06 8.86922680E-10-5.18657990E-14 2 4.67641545E+03-6.70531966E+01-1.56729686E+00 5.99817511E-02-4.29153585E-05 3 1.48666854E-08-1.98938453E-12 1.12873830E+04 3.55490009E+01 4 C6H5CH2 TROE,JPC,1990 C 7H 7 0 0G 300.000 5000.000 1392.000 11 1.77752663E+01 1.88366755E-02-6.58968982E-06 1.03873424E-09-6.09096279E-14 2 1.65061292E+04-7.37168331E+01-3.82523574E+00 7.22854694E-02-5.81397283E-05 3 2.40211852E-08-4.03015544E-12 2.37153019E+04 4.12436407E+01 4 O(D) O 1 G 300. 5000. 1000. 1 2.49992454E 00 0.00000000E 00 0.00000000E 00 0.00000000E 00 0.00000000E 00 2 5.19403605E 04 4.62560195E 00 2.49992452E 00 0.00000000E 00 0.00000000E 00 3 0.00000000E 00 0.00000000E 00 5.19403605E 04 4.62560195E 00 4 NOO N 1O 2 G 300. 5000. 1000. 1 4.40700121E 00-1.39051289E-02 6.24500162E-05-6.20949231E-08 1.72794309E-11 2 4.97913000E 04 6.85846782E 00 4.40700121E 00-1.39051289E-02 6.24500162E-05 3 -6.20949231E-08 1.72794309E-11 4.97913000E 04 6.85846782E 00 4 HOONO H 1N 1O 3 G 300. 5000. 1000. 1 5.50051847E 00-1.32444390E-02 7.70135868E-05-7.91256153E-08 2.22853935E-11 2 -1.78715600E 03 4.61970659E 00 5.50051847E 00-1.32444390E-02 7.70135868E-05 3 -7.91256153E-08 2.22853935E-11-1.78715600E 03 4.61970659E 00 4 HNNO H 1N 2O 1 G 300. 5000. 1000. 1 4.42895600E 00-3.10773617E-03 3.03296425E-05-3.19672265E-08 9.16432217E-12 2 2.63854600E 04 5.86167433E 00 4.42895600E 00-3.10773617E-03 3.03296425E-05 3 -3.19672265E-08 9.16432217E-12 2.63854600E 04 5.86167433E 00 4 HONO 31787H 1N 1O 2 G 300. 5000. 1000. 1 0.05486892E 02 0.04218064E-01-0.16491426E-05 0.02971876E-08-0.02021148E-12 2 -0.11268646E 05-0.02997002E 02 0.02290413E 02 0.14099223E-01-0.13678717E-04 3 0.07498780E-07-0.01876905E-10-0.10431945E 05 0.13280769E 02 4 IC4H7OH 4/ 9/91 C 4H 8O 1 0G 300.000 5000.000 1404.000 31 1.02990260E+01 1.42844129E-02-4.91772365E-06 9.36381943E-10-6.64315003E-14 2 -2.66573987E+04-3.80921303E+01 1.30333262E+00 3.47403852E-02-2.32258747E-05 3 8.65825526E-09-1.35478770E-12-2.33946908E+04 1.05527461E+01 4 IC4H7O 4/ 9/91 C 4H 7O 1 0G 300.000 5000.000 1403.000 21 9.48417671E+00 1.31009062E-02-4.32434648E-06 8.02040394E-10-5.63147904E-14 2 -1.02173544E+02-3.41947251E+01 1.32646878E+00 3.15163503E-02-2.06543720E-05 3 7.62311192E-09-1.18481939E-12 2.87093070E+03 9.96818073E+00 4 CH2CH2CCH MAR94 C 4H 5 0 0G 300.000 5000.000 1470.000 1 1.11211847E 01 1.13387975E-02-3.91752331E-06 6.13047886E-10-3.57865789E-14 2 4.16036938E 04-3.36315199E 01 4.13862228E 00 1.84954935E-02 1.07206988E-06 3 -7.24877475E-09 2.24572202E-12 4.48979730E 04 7.04213265E 04 4 CHOCHO THERM C 2H 2O 2 0G 300. 5000. 1396. 1 9.75438561E 00 4.97645947E-03-1.74410483E-06 2.75586994E-10-1.61969892E-14 2 -2.95832896E 04-2.48038370E 01 1.88105121E 00 2.36386368E-02-1.83443295E-05 3 6.84842963E-09-9.92733674E-13-2.69280190E 04 1.72994753E 01 4 CHOCO THERM C 2H 1O 2 0G 300. 5000. 1403. 1 9.76640338E 00 2.53101749E-03-9.22954447E-07 1.49549475E-10-8.93877652E-15 2 -1.21992629E 04-2.31985762E 01 2.52290494E 00 2.16391004E-02-2.02042709E-05 3 8.94488552E-09-1.53199727E-12-9.95707476E 03 1.48372933E 01 4 NC3H7 MAR97C 3H 7 0 0G 300. 5000. 1390. 1 9.43799350E 00 1.47160681E-02-5.03338420E-06 7.81317497E-10-4.35209260E-14 2 7.27396508E 03-2.60136738E 01 1.13366571E-01 3.54171389E-02-2.28073697E-05 3 7.88746806E-09-1.16856961E-12 1.06821595E 04 2.45520758E 01 4 IC3H7 MAR97C 3H 7 0 0G 300. 5000. 1373. 1 9.73563939E 00 1.43303634E-02-4.88106037E-06 7.56304810E-10-4.38380156E-14 2 5.67000911E 03-2.78414926E 01 5.86358461E-01 3.21021065E-02-1.69517004E-05 3 3.98986301E-09-2.87510333E-13 9.26003586E 03 2.26632577E 01 4 C3H6O L 4/77C 3H 6O 1 0G 300. 5000. 1000. 1 0.87072573E 01 0.15987653E-01-0.53762797E-05 0.79422535E-09-0.42212622E-13 2 -0.69370352E 04-0.22579315E 02 0.48378503E 00 0.28574701E-01 0.28022350E-05 3 -0.22371523E-07 0.10581544E-10-0.40665557E 04 0.22616104E 02 4 C6H10 MAR92 C 6H 10 0G 300. 5000. 1395. 1 1.67186192E 01 2.30179407E-02-7.81866308E-06 1.20831815E-09-6.98826125E-14 2 1.74306625E 03-6.33456215E 01-1.80013527E 00 6.71111879E-02 4.84054490E-05 3 1.84055726E-08-2.89367813E-12 8.10249521E 03 3.58351765E 01 4 C6H9 MAR92 C 6H 9 0G 300. 5000. 1383. 1 1.61615627E 01 2.05601080E-02-6.89948659E-06 1.05842496E-09-6.09260055E-14 2 2.53408263E 04-5.48509782E 01-3.49980956E-01 5.64088337E-02-3.52929549E-05 3 1.06678360E-08-1.20314794E-12 3.12955954E 04 2.97074010E 01 4 CHCHCHCH MAR92 C 4H 4 0G 300. 5000. 1443. 1 1.22305617E 01 8.84066390E-03-3.17811497E-06 5.10137185E-10-3.02935854E-14 2 6.21763134E 04-3.89509708E 01 5.15535959E 00 1.46610597E-02 5.16307393E-06 3 -9.90787537E-09 2.87827717E-12 6.56248639E 04 2.71596090E 00 4 L-C5H8 T 2/92C 5H 8 0 0G 298.15 3000. 1000. 1 0.19403114E 02 0.96325407E-02-0.15683147E-05 0.00000000E 00 0.00000000E 00 2 0.20635571E 03-0.80798713E 02-0.30882087E 00 0.48355898E-01-0.22284758E-04 3 0.00000000E 00 0.00000000E 00 0.72982329E 04 0.26828785E 02 4 L-C5H7 T 2/92C 5H 7 0 0G 298.15 3000. 1000. 1 0.18941353E 02 0.85102411E-02-0.14014643E-05 0.00000000E 00 0.00000000E 00 2 0.18109184E 05-0.78403470E 02-0.56457147E 00 0.48115796E-01-0.23131123E-04 3 0.00000000E 00 0.00000000E 00 0.24904574E 05 0.27439042E 02 4 CYC6H7 MAR94 C 6H 7 0 0G 300.00 5000. 1378.00 1 1.62179737E 01 1.76354762E-02-6.10140365E-06 9.55946476E-10-5.58580718E-14 2 1.64611253E+04-6.76882854E+01-5.92510435E+00 6.58626515E-02-4.35988397E-05 3 1.28973156E-08-1.26423888E-12 2.43278179E+04 5.21888505E+01 4 CYC6H8 BURCT C 6H 8 0 0G 200.00 6000. 1000.00 1 .14311890E+02 .22456360E-01 -.79192810E-05 .12970680E-08 -.81431260E-13 2 .63792300E+04 -.55778630E+02 -.17100990E+01 .64285190E-01 -.43120620E-04 3 .10072650E-07 .52212480E-12 .10905970E+05 .27593080E+02 4 C4H8-2 BURCT C 4H 8 0 0G 300.00 5000. 1000.00 1 0.82797676E 00 0.35864539E-01-0.16634498E-04 0.34732759E-08-0.26657398E-12 2 -0.30521033E 04 0.21355710E 02 0.12594252E 01 0.27808424E-01 0.87013932E-05 3 -0.24402205E-07 0.98977710E-11-0.29647742E 04 0.20514290E 02 4 C4H8-1 BURCT C 4H 8 0 0G 300.00 5000. 1000.00 1 0.20535841E 01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2 -0.21397231E 04 0.15556360E 02 0.11811380E 01 0.30853380E-01 0.50865247E-05 3 -0.24654888E-07 0.11110193E-10-0.17904004E 04 0.21075639E 02 4 C5H10-1 2/14/95 C 5H 10 0 0G 300.000 5000.000 1392.00 31 1.45851539E+01 2.24072471E-02-7.63348025E-06 1.18188966E-09-6.84385139E-14 2 -1.00898205E+04-5.23683936E+01-1.06223481E+00 5.74218294E-02-3.74486890E-05 3 1.27364989E-08-1.79609789E-12-4.46546666E+03 3.22739790E+01 4 C5H11-1 1/14/95 THERMC 5H 11 0 0G 300.000 5000.000 1397.00 41 1.53234740E+01 2.39041200E-02-8.14771619E-06 1.26176236E-09-7.30677335E-14 2 -9.23241637E+02-5.49528859E+01-9.05255912E-01 6.10632852E-02-4.09491825E-05 3 1.46093470E-08-2.18859615E-12 4.83995303E+03 3.25574963E+01 4 A-C8H17 RI8MX=RANZI C 8H 17 0 0G 300.000 5000.000 1397.00 1 .20973219E+02 .40067021E-01 -.12222084E-04 .17913918E-08 -.10336405E-12 2 -.15648881E+05 -.83903595E+02 -.14252715E+01 .95243387E-01 -.51541250E-04 3 .26903868E-08 .55728152E-11 -.90921641E+04 .33584190E+02 4 C-C8H17 RI8MX=RANZI C 8H 17 0 0G 300.000 5000.000 1397.00 1 .20973219E+02 .40067021E-01 -.12222084E-04 .17913918E-08 -.10336405E-12 2 -.15648881E+05 -.83903595E+02 -.14252715E+01 .95243387E-01 -.51541250E-04 3 .26903868E-08 .55728152E-11 -.90921641E+04 .33584190E+02 4 CH3CHCO MAR94 C 3H 4O 1 0G 300.00 5000. 1392. 1 9.40386796E 00 9.90994860E-03-3.34130605E-06 5.13787016E-10-2.96102254E-14 2 -1.42771281E 04-2.42902025E 01 2.69187311E 00 2.49761396E-02-1.61712107E-05 3 5.46391115E-09-7.62496644E-13-1.18758805E 04 1.19898101E 01 4 H2CCHCO MAR94 C 3H 3O 1 0G 300.00 5000. 1387. 1 9.98488581E 00 7.41421822E-03-2.60020164E-06 4.10510515E-10-2.40965108E-14 2 2.32744789E 03-2.72603529E 01 1.93844931E 00 2.81736198E-02-2.40080561E-05 3 1.07680466E-08-1.96954458E-12 4.97456651E 03 1.53411361E 01 4 CH2CHCHO MAR94 C 3H 4O 1 0G 300.00 5000. 1389. 1 9.95950056E 00 9.86563039E-03-3.42048051E-06 5.35978370E-10-3.13001966E-14 2 -1.27456196E 04-2.82995864E 01 5.80467878E-01 3.16384674E-02-2.27932718E-05 3 8.42301579E-09-1.27327985E-12-9.47146816E 03 2.21264233E 01 4 CH2CHCO MAR94 C 3H 3O 1 0G 300.00 5000. 1391. 1 9.48105566E 00 7.77714755E-03-2.71155669E-06 4.26495971E-10-2.49722495E-14 2 3.20858016E 03-2.42916680E 01 7.83370450E-01 2.90353899E-02-2.28846927E-05 3 9.25645234E-09-1.52213238E-12 6.13409525E 03 2.20858902E 01 4 CH3CCO MAR94 C 3H 3O 1 0G 300.00 5000. 2011. 1 9.30308487E 00 8.23882150E-03-2.96691877E-06 4.78600459E-10-2.85617108E-14 2 1.29322960E 04-1.93676016E 01 5.05329133E 00 1.62862375E-02-7.58306845E-06 3 1.09472318E-09 7.68526236E-14 1.45076626E 04 4.00749146E 00 4 C10H10 MAR94 C 10H 10 0 0G 300.000 5000. 1394. 1 2.29880333E 01 2.98673083E-02-1.03408159E-05 1.61884929E-09-9.44755534E-14 2 3.83422928E 03-1.04059080E 02-7.70165798E 00 1.04115841E-01-7.97562323E-05 3 3.14343302E-08-5.04355723E-12 1.42169008E 04 5.98250716E 01 4 C10H9 MAR94 C 10H 9 0 0G 300.000 5000. 1392. 1 2.27884959E 01 2.78271679E-02-9.71214416E-06 1.52855130E-09-8.95351533E-14 2 1.71260507E 04-1.04051271E 02-7.41682284E 00 1.01265732E-01-7.90577209E-05 3 3.17566399E-08-5.19920372E-12 2.73369737E 04 5.71663310E 01 4 C10H8 MAR94 C 10H 8 0 0G 300.000 5000. 1389. 1 2.26796811E 01 2.56406162E-02-9.01884317E-06 1.42679026E-09-8.38746748E-14 2 7.15869139E 03-1.04560335E 02-7.22113353E 00 9.86835940E-02-7.85937984E-05 3 3.21311283E-08-5.35095416E-12 1.72527463E 04 5.49455699E 01 4 C6H4C2H3 MAR94 C 8H 7 0 0G 300.000 5000. 1394. 1 1.74540862E 01 2.22040686E-02-9.33350484E-06 1.73528698E-09-1.13685613E-13 2 3.87604904E 04-6.90454166E 01-5.18004315E 00 8.45709724E-02-7.57339260E-05 3 3.38554022E-08-6.01465106E-12 4.55621698E 04 4.89682087E 01 4 C10H7 MAR94 C 10H 7 0 0G 300.000 5000. 1389. 1 2.22235498E 01 2.34663062E-02-8.26559343E-06 1.30886197E-09-7.69933613E-14 2 3.63115865E 04-1.00121829E 02-6.19596125E 00 9.30891227E-02-7.46790703E-05 3 3.06107166E-08-5.09475752E-12 4.58706382E 04 5.13865103E 01 4 C6H4C2H MAR96 C 8H 5 0 0G 300.000 5000. 1383. 1 1.78869579E 01 1.60575515E-02-5.60587863E-06 8.82936244E-10-5.17596889E-14 2 6.07266634E 04-7.10648534E 01-1.40495302E 00 6.16641167E-02-4.69506280E-05 3 1.80221804E-08-2.79604787E-12 6.73490085E 04 3.23177794E 01 4 C10H7O MAR94 C 10H 7O 1 0G 300.000 5000. 1402. 1 2.73202720E 01 2.06287145E-02-7.07119840E-06 1.10136964E-09-6.41024638E-14 2 1.22677534E 03-1.24813148E 02-3.96924112E 00 9.54479821E-02-7.37031626E-05 3 2.72312623E-08-3.85415426E-12 1.16368615E 04 4.21473784E 01 4 HCOH MAR94 C 1H 2O 1 0G 300. 5000. 1398. 1 9.18749272E 00 1.52011152E-03-6.27603516E-07 1.09727989E-10-6.89655128E-15 2 7.81364593E 03-2.73434214E 01-2.82157421E 00 3.57331702E-02-3.80861580E-05 3 1.86205951E-08-3.45957838E-12 1.12956672E 04 3.48487757E 01 4 CH2 LLNL94C 1H 2 0 0G 300.000 5000.000 1350.000 1 3.44310466E+00 2.32638011E-03-5.33147998E-07 5.74043968E-11-2.42694849E-15 2 4.59375743E+04 3.23484714E+00 3.49623989E+00 2.20258645E-03-4.23828799E-07 3 1.36484706E-11 4.31937372E-15 4.59192771E+04 2.94964354E+00 4 CH2(S) ADJNBRC 1H 2 0 0G 300.000 5000.000 1359.000 1 3.09627180E+00 2.80839185E-03-7.13614526E-07 8.42136298E-11-3.84640828E-15 2 5.05739697E+04 4.31392269E+00 3.32340701E+00 2.28062579E-03-2.48156016E-07 3 -1.02065386E-10 2.48826619E-14 5.04954469E+04 3.09401497E+00 4 SCH2 ADJNBRC 1H 2 0 0G 300.000 5000.000 1359.000 1 3.09627180E+00 2.80839185E-03-7.13614526E-07 8.42136298E-11-3.84640828E-15 2 5.03726612E+04 4.31392269E+00 3.32340701E+00 2.28062579E-03-2.48156016E-07 3 -1.02065386E-10 2.48826619E-14 5.04954469E+04 3.09401497E+00 4 C10H7CH3 MAR94 C 11H 10 0 0G 300.000 5000.000 1388.000 1 2.51695452E 01 3.06623666E-02-1.07325255E-05 1.69233411E-09-9.92571012E-14 2 1.89171186E 03-1.15036002E 02-5.83569401E 00 1.02894702E-01-7.55130040E-05 3 2.84055718E-08-4.37865877E-12 1.27117089E 04 5.16088842E 01 4 C10H7CH2 MAR94 C 11H 9 0 0G 300.000 5000.000 1389.000 1 2.66596107E 01 2.69903845E-02-9.49827903E-06 1.50313533E-09-8.83831941E-14 2 2.10180607E 04-1.22975161E 02-5.51514480E 00 1.06245066E-01-8.57510752E-05 3 3.55122444E-08-5.98055713E-12 3.18146452E 04 4.84291679E 01 4 CH3CHCCH2 MAR94 C 4H 6 0 0G 300.000 5000.000 1390.000 1 1.05039680E 01 1.41242631E-02-4.80637221E-06 7.43634992E-10-4.30400365E-14 2 1.37697076E 04-3.19920950E 01 1.13142053E 00 3.44939157E-02-2.14418290E-05 3 6.84195879E-09-8.94244064E-13 1.72036953E 04 1.89295803E 01 4 LONG0004 MAR94 C 8H 10 0 0G 300.000 5000.000 1383.000 1 1.92046481E 01 2.71029914E-02-9.38013521E-06 1.46814883E-09-8.56704312E-14 2 -8.13026514E 03-8.02552319E 01-2.93330687E 00 7.33286252E-02-4.41794558E-05 3 1.24389436E-08-1.24795155E-12 1.05473316E 02 4.05862967E 01 4 LONG0005 MAR94 C 8H 9 0 0G 300.000 5000.000 1390.000 1 2.02877023E 01 2.38848411E-02-8.23202298E-06 1.30847851E-09-7.65835818E-14 2 1.12047828E 04-8.57677163E 01-2.37164288E 00 7.61932716E-02-5.46335287E-05 3 2.00939215E-08-3.02944543E-12 1.91590196E 04 3.61877664E 01 4 FLRNTHN C 16H 10 0 0G 300.000 5000.000 1393.000 01 3.61459490E+01 3.43535281E-02-1.19815211E-05 1.88549603E-09-1.10454694E-13 2 1.72902637E+04-1.76942587E+02-1.03602843E+01 1.51242775E-01-1.25613062E-04 3 5.25039366E-08-8.78103946E-12 3.24950912E+04 6.97013658E+01 4 PHNTHRN C 14H 10 0 0G 300.000 5000.000 1388.000 01 3.15659624E+01 3.37289576E-02-1.18905510E-05 1.88392365E-09-1.10863384E-13 2 8.86825879E+03-1.53073877E+02-9.00855994E+00 1.33073568E-01-1.06795088E-04 3 4.39063506E-08-7.34436815E-12 2.25433546E+04 6.32918026E+01 4 PYRENE C 16H 10 0 0G 300.000 5000.000 1391.000 01 3.60823716E+01 3.51095189E-02-1.23958908E-05 1.96603433E-09-1.15781467E-13 2 9.12869539E+03-1.79465355E+02-1.25665491E+01 1.59372104E-01-1.36490898E-04 3 5.92020337E-08-1.03027934E-11 2.49536627E+04 7.80357719E+01 4 BENZOAP C 20H 12 0 0G 300.000 5000.000 1167.000 01 3.82272598E+01 5.25381102E-02-1.96586297E-05 3.25447920E-09-1.97184422E-13 2 1.65081977E+04-1.89637964E+02-2.33182328E+01 2.16807575E-01-1.83897683E-04 3 7.63202866E-08-1.23863423E-11 3.48802109E+04 1.32086823E+02 4 LONG0008 C 12H 8 0 0G 300.000 5000.000 1390.000 01 2.70147843E+01 2.71828096E-02-9.58112341E-06 1.51787074E-09-8.93170047E-14 2 1.74962536E+04-1.26903759E+02-7.67193410E+00 1.13933755E-01-9.43421073E-05 3 3.98406319E-08-6.79990064E-12 2.89828827E+04 5.73814946E+01 4 LONG0009 C 14H 9 0 0G 300.000 5000.000 1388.000 01 3.11112233E+01 3.15523946E-02-1.11362962E-05 1.76581548E-09-1.03970689E-13 2 3.71953570E+04-1.49327463E+02-7.98403141E+00 1.27481462E-01-1.02881728E-04 3 4.23852392E-08-7.08773054E-12 5.03359816E+04 5.90513227E+01 4 PYRENYL C 16H 9 0 0G 300.000 5000.000 1392.000 01 3.56274232E+01 3.29333652E-02-1.16418258E-05 1.84796063E-09-1.08890969E-13 2 3.46879738E+04-1.75028062E+02-1.15392685E+01 1.53769911E-01-1.32564180E-04 3 5.76733967E-08-1.00446160E-11 4.99778218E+04 7.44715705E+01 4 BIPHENYL BURCT C 12H 10 0 0G 300.000 5000.000 1000.000 1 0.24289017E 02 0.34006648E-01-0.11722408E-04 0.17729298E-08-0.96812532E-13 2 0.10287000E 05-0.10802374E 03-0.40739527E 01 0.86973310E-01-0.42353613E-05 3 -0.64564460E-07 0.34150169E-10 0.19405965E 05 0.44741348E 02 4 OBPHNYL BURCT C 12H 9 0 0G 300.000 5000.000 1000.000 1 0.23851303E 02 0.31960227E-01-0.11076719E-04 0.16847825E-08-0.92641173E-13 2 0.40171297E 05-0.10270549E 03-0.31376228E 01 0.82217276E-01-0.40171444E-05 3 -0.60809782E-07 0.32074482E-10 0.48868754E 05 0.42730362E 02 4 ANTHRACN MAR95 C 14H 10 0 0G 300.000 5000.000 1388.000 1 3.15659624E 01 3.37289576E-02-1.18905510E-05 1.88392365E-09-1.10863384E-13 2 1.16966433E 04-1.53763359E 02-9.00855994E 00 1.33073568E-01-1.06795088E-04 3 4.39063506E-08-7.34436815E-12 2.53717391E 04 6.26023210E 01 4 C-C5H7 C 5H 7 0 0G 300.000 5000.000 1416.000 1 1.36845117E 01 1.64476117E-02-5.50085934E-06 8.41117914E-10-4.82809780E-14 2 1.96898994E 04-6.11532399E 01-2.36726157E 00 5.84423190E-02-4.78622325E-05 3 2.02710415E-08-3.44123135E-12 2.47432754E 04 2.33377340E 01 4 LONG0011 C 6H 6O 1 0G 300.000 5000.000 1391.000 1 1.75300059E 01 1.62864885E-02-5.58359441E-06 8.69603626E-10-5.06056366E-14 2 -1.72588518E 04-7.18319753E 01-4.45273335E 00 6.83240663E-02-5.17242629E-05 3 1.90307536E-08-2.72276563E-12-9.84416226E 03 4.57361895E 01 4 OC6H4O C 6H 4O 2 0G 300.000 5000.000 1392.000 1 1.76110746E 01 1.41943216E-02-5.07129996E-06 8.16903619E-10-4.85496876E-14 2 -2.34113690E 04-7.13061436E 01-1.58664865E 00 6.37661046E-02-5.49903671E-05 3 2.39560303E-08-4.17456412E-12-1.72402562E 04 3.00847710E 01 4 LONG0017 C 15H 12 0 0G 300.000 5000.000 1388.000 1 3.40214352E 01 3.87599618E-02-1.36026936E-05 2.14870933E-09-1.26179927E-13 2 5.25995697E 03-1.64011170E 02-7.62728502E 00 1.37382953E-01-1.03954898E-04 3 4.03464800E-08-6.40784579E-12 1.96316047E 04 5.92693630E 01 4 C10H7OH C 10H 8O 1 0G 300.000 5000.000 1428.000 1 1.70545603E 01 2.71399777E-02-8.37556985E-06 1.20806091E-09-6.64265060E-14 2 -1.60606637E 04-5.91338880E 01-8.85357874E 00 1.07649510E-01-1.02973597E-04 3 5.04843296E-08-9.60093087E-12-9.23181655E 03 7.26290702E 01 4 LONG0012 C 12H 12 0 0G 300.000 5000.000 1393.000 1 2.89853383E 01 3.39680004E-02-1.17265032E-05 1.83245637E-09-1.06814341E-13 2 -2.18564737E 03-1.33852524E 02-7.57755435E 00 1.23905796E-01-9.74487941E-05 3 3.94103218E-08-6.46891513E-12 1.00243094E 04 6.08512792E 01 4 LONG0013 C 12H 10 0 0G 300.000 5000.000 1391.000 1 2.77976388E 01 3.09394076E-02-1.08192967E-05 1.70494715E-09-9.99533639E-14 2 1.27541446E 04-1.27460553E 02-5.93832671E 00 1.13712471E-01-9.01389066E-05 3 3.69474995E-08-6.18466180E-12 2.41160024E 04 5.23899858E 01 4 C10H6C2H3 C 12H 9 0 0G 300.000 5000.000 1386.000 1 2.76403992E 01 2.83648665E-02-9.89954537E-06 1.55838040E-09-9.13072209E-14 2 4.23913978E 04-1.26245102E 02-4.41588696E 00 1.04557867E-01-7.96078425E-05 3 3.08167668E-08-4.84395910E-12 5.33734309E 04 4.54247001E 01 4 C6H5CCO C 8H 5O 1 0G 300.000 5000.000 1391.000 1 2.05717606E 01 1.65626187E-02-5.73631528E-06 8.98556853E-10-5.24719633E-14 2 1.85523144E 04-7.88307218E 01 2.46903285E 00 5.68111793E-02-3.84432919E-05 3 1.22781652E-08-1.44841401E-12 2.49411038E 04 1.89465318E 01 4 DHPYRENE C 16H 12 0 0G 300.000 5000.000 1389.000 1 3.66798324E 01 3.91098206E-02-1.36477507E-05 2.14827541E-09-1.25865478E-13 2 5.39153963E 03-1.80584384E 02-1.07143452E 01 1.55300582E-01-1.23995544E-04 3 5.03764449E-08-8.27707872E-12 2.12574824E 04 7.19393832E 01 4 C6H5CHCH C 8H 7 0 0G 300.000 5000.000 1394.000 1 1.87665766E 01 2.00619262E-02-6.90883699E-06 1.07799789E-09-6.27759176E-14 2 3.76791153E 04-7.60276228E 01-2.72251268E 00 7.09701368E-02-5.27526320E-05 3 1.97369835E-08-2.95890798E-12 4.50007235E 04 3.90143531E 01 4 C6H5CCH2 C 8H 7 0 0G 300.000 5000.000 2047.000 1 1.71139518E 01 2.25377917E-02-7.99496419E-06 1.27893717E-09-7.59484848E-14 2 3.24892099E 04-6.28243270E 01-9.90113676E-01 6.36930626E-02-4.12377605E-05 3 1.25738717E-08-1.42731738E-12 3.85039514E 04 3.42439436E 01 4 LONG0014 C 12H 9 0 0G 300.000 5000.000 1383.000 1 2.81821682E 01 2.77914401E-02-9.59062527E-06 1.49919449E-09-8.74359316E-14 2 3.57763626E 04-1.24928753E 02-2.44707035E 00 9.62374298E-02-6.59484701E-05 3 2.16532339E-08-2.69756550E-12 4.65805930E 04 4.04353223E 01 4 FLUORENE C 13H 10 0 0G 300.000 5000.000 1395.000 1 2.96985895E 01 3.21427935E-02-1.12035135E-05 1.76197485E-09-1.03163382E-13 2 7.02356550E 03-1.41650027E 02-5.72213745E 00 1.12723846E-01-7.94406052E-05 3 2.72147099E-08-3.61392682E-12 1.93888925E 04 4.90956289E 01 4 FLUORYL C 13H 9 0 0G 300.000 5000.000 1396.000 1 2.85044839E 01 3.04765582E-02-1.05975617E-05 1.66399066E-09-9.73157169E-14 2 2.19439847E 04-1.32834253E 02-4.44062707E 00 1.06657923E-01-7.68519310E-05 3 2.73950224E-08-3.85962185E-12 3.33449059E 04 4.41810033E 01 4 C10H7CCH C 12H 8 0 0G 300.000 5000.000 1425.000 1 2.03611316E 01 2.73242331E-02-8.53694521E-06 1.24340805E-09-6.88950577E-14 2 3.09905355E 04-7.82435887E 01-7.73984234E 00 1.11706561E-01-1.04959598E-04 3 5.03992995E-08-9.42642870E-12 3.86881273E 04 6.57110831E 01 4 C10H6CCH C 12H 7 0 0G 300.000 5000.000 1425.000 1 2.00098626E 01 2.52939293E-02-7.88222029E-06 1.14574164E-09-6.33849108E-14 2 6.07484075E 04-7.58842966E 01-6.78519737E 00 1.06840955E-01-1.02126177E-04 3 4.96307371E-08-9.35989752E-12 6.79822243E 04 6.09993781E 01 4 CH3CCCH2 82489C 4H 5 G 0300.00 4000.00 1000.00 1 0.01156506E+03 0.08030297E-01-0.07649450E-05-0.04476534E-08 0.08313260E-12 2 0.03256813E+06-0.03014066E+03 0.05068450E+02 0.01571747E+00 0.02968975E-04 3 -0.04990587E-07-0.02984224E-11 0.03518855E+06 0.06791893E+02 4 CH3CHCCH C 4H 5 0 0G 300.000 5000.000 1558.000 1 1.15707301E 01 1.10521653E-02-3.74679986E-06 5.78988738E-10-3.35056170E-14 2 3.28916203E 04-3.61427241E 01 3.87375812E 00 2.35292310E-02-7.91954580E-06 3 -1.34382648E-09 9.26833346E-13 3.60697147E 04 7.07337245E 00 4 CH2CHCCH2 82489C 4H 5 G 0300.00 4000.00 1000.00 1 0.01199776E+03 0.07990580E-01-0.08098173E-05-0.04568733E-08 0.08636910E-12 2 0.03228493E+06-0.03528495E+03 0.03879443E+02 0.01997664E+00 0.01872777E-04 3 -0.09306953E-07 0.02386116E-10 0.03526859E+06 0.09842152E+02 4 LONG0015 C 10H 10 0 0G 300.000 5000.000 1401.000 1 2.39040646E 01 2.70375578E-02-9.03270563E-06 1.38220390E-09-7.94472688E-14 2 5.09404714E 03-1.06679753E 02-9.14899512E 00 1.09556562E-01-8.74133807E-05 3 3.49519155E-08-5.53642343E-12 1.58213324E 04 6.85863711E 01 4 LONG0016 C 10H 9 0 0G 300.000 5000.000 1390.000 1 2.38506893E 01 2.52731636E-02-8.58286402E-06 1.32818888E-09-7.69478001E-14 2 1.51622968E 04-1.05205264E 02-6.62674973E 00 9.64037943E-02-7.04509486E-05 3 2.50614936E-08-3.45152957E-12 2.55477870E 04 5.81609802E 01 4 C6H5C5H5 C 11H 10 0 0G 300.000 5000.000 1403.000 1 2.64837566E 01 2.81913704E-02-9.59448102E-06 1.48602663E-09-8.61179799E-14 2 1.61014206E 04-1.21190813E 02-1.19923649E 01 1.26777112E-01-1.06468291E-04 3 4.46761049E-08-7.42339378E-12 2.83737869E 04 8.19974574E 01 4 C6H5C5H4 C 11H 9 0 0G 300.000 5000.000 1406.000 1 2.75597938E 01 2.51283900E-02-8.53167237E-06 1.31943396E-09-7.63881356E-14 2 2.40839642E 04-1.22885676E 02-1.08373717E 01 1.27290650E-01-1.13081810E-04 3 4.98588160E-08-8.64272185E-12 3.59466573E 04 7.85338592E 01 4 CHCHCHO C 3H 3O 1 G 0300.00 5000.00 1380.00 1 1.02029457E 01 6.98642466E-03-2.40453423E-06 3.75386729E-10-2.18791232E-14 2 1.44575591E 04-2.82423192E 01 2.03583477E 00 2.55739847E-02-1.81713324E-05 3 6.28551145E-09-8.46222353E-13 1.73077219E 04 1.57368973E 01 4 HCCCHO C 3H 2O 1 G 0300.00 5000.00 1383.00 1 9.53489086E 00 5.27356380E-03-1.86790292E-06 2.96884935E-10-1.75093893E-14 2 7.94341348E 03-2.51820453E 01 2.96395961E 00 2.11989287E-02-1.69306862E-05 3 6.91407180E-09-1.15124164E-12 1.01776675E 04 9.92163123E 00 4 CH2CCO C 3H 2O 1 G 0300.00 5000.00 1400.00 1 9.11937686E 00 5.56517287E-03-1.86151528E-06 2.84782312E-10-1.63563014E-14 2 6.63260442E 03-2.31598881E 01 3.29591682E 00 2.12365391E-02-1.83270163E-05 3 8.21393786E-09-1.47450303E-12 8.44124609E 03 7.37072947E 00 4 HCCCO C 3H 1O 1 G 0300.00 5000.00 1453.00 1 4.72901298E 00 8.55263742E-03-3.11261630E-06 4.45053019E-10-2.03272018E-14 2 2.88623722E 04 6.44697916E 00 6.40938042E 00 1.15715116E-02-1.02639923E-05 3 4.52524382E-09-8.02150325E-13 2.70126564E 04-5.92675057E 00 4 BZ(GHI)FLN C 18H 10 0 0G 300.00 5000.00 1384.00 1 4.05054085E 01 3.70517492E-02-1.32070880E-05 2.10798899E-09-1.24687094E-13 2 2.94940750E 04-2.08068418E 02-1.15334997E 01 1.62167384E-01-1.29229125E-04 3 5.15294615E-08-8.27457215E-12 4.71589340E 04 7.00760961E 01 4 LONG0018 C 15H 10 0 0G 300.00 5000.00 1415.00 1 1.39619369E 01 4.98784489E-02-2.31971846E-05 4.76663064E-09-3.36186569E-13 2 2.13577478E 04-4.41337511E 01-1.36773823E 01 1.26167854E-01-1.04742488E-04 3 4.43582654E-08-7.62174914E-12 2.96889303E 04 9.99849629E 01 4 CPENTACD C 18H 10 0 0G 300.000 5000.00 1387.00 1 4.01931898E 01 3.70939386E-02-1.31685825E-05 2.09615488E-09-1.23752972E-13 2 1.94190841E 04-2.00093791E 02-1.26611854E 01 1.72465906E-01-1.49484834E-04 3 6.57831480E-08-1.16345015E-11 3.66512922E 04 7.96671634E 01 4 LONG0019 C 15H 9 0 0G 300.000 5000.00 1418.00 1 1.32375618E 01 4.76137169E-02-2.23612429E-05 4.63681279E-09-3.29035851E-13 2 3.59851284E 04-3.80686357E 01-1.15750589E 01 1.16068854E-01-9.55729305E-05 3 4.02161473E-08-6.88164962E-12 4.34790836E 04 9.13398784E 01 4 INDENE C 9H 8 0 0G 300.000 5000.00 1396.00 1 2.00359285E 01 2.47526620E-02-8.58094734E-06 1.34456919E-09-7.85209649E-14 2 9.16275094E 03-8.95126334E 01-8.87165677E 00 9.79080414E-02-8.06284837E-05 3 3.40058981E-08-5.78340781E-12 1.86090957E 04 6.36942952E 01 4 INDENYL C 9H 7 0 0G 300.000 5000.00 1396.00 1 1.88496987E 01 2.30750390E-02-7.97012499E-06 1.24573420E-09-7.26203331E-14 2 2.15148314E 04-8.07377133E 01-7.55449024E 00 9.17109694E-02-7.78588594E-05 3 3.40781245E-08-6.00585308E-12 2.99922277E 04 5.86084835E 01 4 LONG0020 C 14H 9O 1 0G 300.000 5000.00 1390.00 1 3.63410920E 01 2.85044297E-02-9.84996550E-06 1.54212012E-09-9.00664052E-14 2 3.33744473E 03-1.74734851E 02-6.88583078E 00 1.35568631E-01-1.11107486E-04 3 4.49354272E-08-7.18645703E-12 1.75074233E 04 5.48782902E 01 4 LONG0022 C 13H 10 0 0G 300.000 5000.00 1393.00 1 2.88955020E 01 3.28685072E-02-1.14625895E-05 1.80325173E-09-1.05598328E-13 2 1.37214468E 04-1.38555082E 02-1.07607312E 01 1.32785410E-01-1.09605089E-04 3 4.62758700E-08-7.88684234E-12 2.67476884E 04 7.18151857E 01 4 LONG0023 C 13H 9 0 0G 300.000 5000.00 1391.00 1 2.77661174E 01 3.11293384E-02-1.08292175E-05 1.70088594E-09-9.94955988E-14 2 2.45852410E 04-1.30108063E 02-9.86393380E 00 1.28874500E-01-1.10777590E-04 3 4.90576357E-08-8.75446462E-12 3.67248325E 04 6.85954001E 01 4 LONG0026 C 18H 12 0 0G 300.000 5000.00 1387.00 1 4.04569002E 01 4.18109769E-02-1.47595774E-05 2.34058824E-09-1.37822822E-13 2 1.62338981E 04-2.02290620E 02-1.07783227E 01 1.67404365E-01-1.34917078E-04 3 5.56343589E-08-9.32756932E-12 3.34874835E 04 7.08724949E 01 4 LONG0024 C 14H 10O 1 0G 300.000 5000.00 1387.00 1 3.40642260E 01 3.37240559E-02-1.18872916E-05 1.88323853E-09-1.10815935E-13 2 -1.01983496E 04-1.62863881E 02-7.64150574E 00 1.39203106E-01-1.17055885E-04 3 5.07207464E-08-8.91567081E-12 3.58192152E 03 5.84427128E 01 4 ACEPHEN C 16H 10 0 0G 300.000 5000.00 1384.00 1 3.56803228E 01 3.57053461E-02-1.26593811E-05 2.01332949E-09-1.18788801E-13 2 2.19827245E 04-1.74419155E 02-9.21330765E 00 1.46589188E-01-1.20367147E-04 3 5.08231606E-08-8.74645150E-12 3.70879272E 04 6.47581868E 01 4 LONG0025 C 14H 10O 1 0G 300.000 5000.00 1387.00 1 3.40642260E 01 3.37240559E-02-1.18872916E-05 1.88323853E-09-1.10815935E-13 2 -1.01983496E 04-1.62863881E 02-7.64150574E 00 1.39203106E-01-1.17055885E-04 3 5.07207464E-08-8.91567081E-12 3.58192152E 03 5.84427128E 01 4 LONG0010 C 14H 9 0 0G 300.000 5000.000 1388.000 01 3.11112233E+01 3.15523946E-02-1.11362962E-05 1.76581548E-09-1.03970689E-13 2 3.71953570E+04-1.49327463E+02-7.98403141E+00 1.27481462E-01-1.02881728E-04 3 4.23852392E-08-7.08773054E-12 5.03359816E+04 5.90513227E+01 4 CYP(CD)PYRENE C 18H 10 0 0G 300.000 5000.000 1393.000 1 4.07204316E 01 3.61114190E-02-1.27100992E-05 2.01204367E-09-1.18345081E-13 2 1.93764469E 04-2.04154035E 02-1.24890223E 01 1.71598706E-01-1.46536973E-04 3 6.26705345E-08-1.06890791E-11 3.66131338E 04 7.74453499E 01 4 C6H5 C 6H 5 0 0G 300.000 5000. 1392.0 1 1.30475872E 01 1.54199557E-02-5.36320047E-06 8.42233454E-10-4.92613801E-14 2 3.42322836E 04-4.84806305E 01-3.77870189E 00 5.57135991E-02-4.24637235E-05 3 1.64735988E-08-2.58896171E-12 3.99554051E 04 4.15018981E 01 4 H2CCCCH C 4H 3 0 0G 300.000 5000. 1380.0 1 1.06224341E 01 6.96083801E-03-2.37107290E-06 3.67292019E-10-2.12819580E-14 2 5.45311236E 04-2.70887918E 01 6.29010517E 00 1.73061208E-02-1.25827245E-05 3 5.29806895E-09-9.74060239E-13 5.60876625E 04-3.77531706E 00 4 FULVENE C 6H 6 0 0G 300.000 3000.000 1000.00 1 0.55099388E+01 0.33879936E-01-0.17737071E-04 0.44769284E-08-0.44127372E-12 2 0.24921871E+05-0.67757489E+01-0.56096307E+01 0.73064757E-01-0.70326923E-04 3 0.36580449E-07-0.80201931E-11 0.27468885E+05 0.48339178E+02 4 H2CCCHCCH C 5H 4 0 0G 300.000 5000.000 1379.00 1 1.32056231E 01 9.36192969E-03-3.19030076E-06 4.94841630E-10-2.87146946E-14 2 4.49527673E 04-4.44541054E 01 2.71523107E 00 3.21953702E-02-2.09346446E-05 3 6.14324640E-09-5.99944761E-13 4.86824444E 04 1.23455416E 01 4 C5H3 C 5H 3 0 0G 300.000 5000.000 1386.00 1 1.31098142E 01 7.16952455E-03-2.39789731E-06 3.67161467E-10-2.11115475E-14 2 6.47607541E 04-3.87971382E 01 6.30572789E 00 2.27774621E-02-1.57641715E-05 3 5.43246387E-09-7.36045558E-13 6.71206959E 04-2.20538393E 00 4 C6H5C2H C 8H 6 0 0G 300.000 5000.000 1389.00 1 1.91822134E 01 1.76449850E-02-6.18210588E-06 9.75697439E-10-5.72698125E-14 2 2.89847171E 04-8.01903000E 01-3.13527908E 00 7.15153321E-02-5.60924468E-05 3 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8.95633526E-13-8.65330708E+02 1.15141579E+01 4 CJCOOHC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1389.000 41 1.53008885E+01 1.44186684E-02-5.02962693E-06 7.91221500E-10-4.63283038E-14 2 -7.48042099E+03-5.08309788E+01 1.26768858E+00 4.87408832E-02-3.81317895E-05 3 1.57324763E-08-2.68334331E-12-2.70531455E+03 2.40840783E+01 4 CCJOOHC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1382.000 41 1.43632150E+01 1.51582743E-02-5.27095864E-06 8.27355936E-10-4.83670073E-14 2 -1.07944830E+04-4.45879839E+01 4.39893676E+00 3.56773239E-02-2.11595980E-05 3 6.43085397E-09-8.26160221E-13-6.96523934E+03 1.00614304E+01 4 CCC 11/12/97 C 3H 8 0 0G 300.000 5000.000 1387.000 21 9.30903615E+00 1.73199401E-02-5.92006308E-06 9.18549779E-10-5.32650089E-14 2 -1.78511121E+04-2.87649046E+01-2.93546757E-01 3.63870252E-02-1.95049623E-05 3 4.95900425E-09-4.55919788E-13-1.41148884E+04 2.41087380E+01 4 C2COH 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1396.000 31 1.15109036E+01 1.75006903E-02-5.96531139E-06 9.23747459E-10-5.34895475E-14 2 -3.87432786E+04-3.63855211E+01-1.76838918E-01 4.52559563E-02-3.19190717E-05 3 1.23062878E-08-2.01412538E-12-3.46643941E+04 2.63322249E+01 4 CCCOH 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1392.000 31 1.10907535E+01 1.76742297E-02-5.98706942E-06 9.23367083E-10-5.33205539E-14 2 -3.64416802E+04-3.30601068E+01 2.11500062E-01 4.14485973E-02-2.56417853E-05 3 8.28216750E-09-1.11303720E-12-3.24595891E+04 2.60160990E+01 4 COCC 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1383.000 31 1.13500003E+01 1.78215455E-02-6.11985371E-06 9.52683869E-10-5.53768551E-14 2 -3.19019990E+04-3.57022481E+01-1.44723265E-01 4.24559153E-02-2.63346134E-05 3 8.64257525E-09-1.21753654E-12-2.75965198E+04 2.69729990E+01 4 CCOHC 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1396.000 31 1.15109036E+01 1.75006903E-02-5.96531139E-06 9.23747459E-10-5.34895475E-14 2 -3.87432786E+04-3.63855211E+01-1.76838918E-01 4.52559563E-02-3.19190717E-05 3 1.23062878E-08-2.01412538E-12-3.46643941E+04 2.63322249E+01 4 CCOOC 11/12/97 C 3H 8O 2 0G 300.000 5000.000 1371.000 41 1.55373715E+01 1.71883951E-02-6.08287869E-06 9.66159935E-10-5.69514086E-14 2 -2.81044820E+04-5.56530986E+01 1.10687505E+00 4.61109274E-02-2.71451489E-05 3 7.57438796E-09-8.10531460E-13-2.25166161E+04 2.37137735E+01 4 CCOOHC 11/12/97 C 3H 8O 2 0G 300.000 5000.000 1389.000 41 1.57046391E+01 1.65924516E-02-5.77250934E-06 9.06453070E-10-5.30084111E-14 2 -3.25432631E+04-5.65494592E+01 5.19265573E-01 5.32111228E-02-4.05156892E-05 3 1.63346713E-08-2.73751233E-12-2.73212552E+04 2.47055629E+01 4 CYC*CO 11/12/97 C 2H 2O 1 0G 300.000 5000.000 1398.000 01 8.68743159E+00 3.72343344E-03-1.29902592E-06 2.04391543E-10-1.19699053E-14 2 8.76350538E+03-2.59051266E+01 1.11192920E+00 2.75983680E-02-3.03754506E-05 3 1.60505538E-08-3.22439144E-12 1.08037904E+04 1.26347778E+01 4 C@CCBR 11/12/97 C 3H 3BR 1 0G 300.000 5000.000 1410.000 11 7.25917515E+00-1.44639664E-03 1.21141710E-06-5.07196380E-11-1.00494843E-14 2 2.43325403E+04-2.72580512E+01 2.72340583E+00 6.21148066E-03-3.35486353E-06 3 1.11600988E-09-1.24984144E-13 2.63576481E+04-1.60274801E+00 4 C@CC. 11/12/97 C 3H 3 0 0G 300.000 5000.000 1366.000 11 9.19689125E+00 5.69378989E-03-2.04433826E-06 3.27864871E-10-1.94575204E-14 2 3.75271268E+04-2.73606184E+01 1.89595614E+00 2.08967245E-02-1.32715267E-05 3 3.68386932E-09-3.27030128E-13 4.02265225E+04 1.24733880E+01 4 CYC.C*C 11/12/97 C 3H 3 0 0G 300.000 5000.000 1403.000 01 7.25084989E+00 7.28957861E-03-2.48491092E-06 3.84926813E-10-2.22980283E-14 2 5.25937499E+04-1.46797982E+01-4.43241234E-01 2.76655929E-02-2.35678667E-05 3 1.04028119E-08-1.84435135E-12 5.50195727E+04 2.57797003E+01 4 C*C*C. 11/12/97 C 3H 3 0 0G 300.000 5000.000 1408.000 01 8.34907570E+00 6.06341257E-03-2.00405445E-06 3.04370631E-10-1.74011495E-14 2 3.87078254E+04-2.05317632E+01 8.52494800E-01 2.54754229E-02-2.12197543E-05 3 8.90220606E-09-1.47799616E-12 4.10689582E+04 1.89683511E+01 4 C@CCCL 11/12/97 C 3H 3CL 1 0G 300.000 5000.000 1410.000 11 7.25917515E+00-1.44639664E-03 1.21141710E-06-5.07196380E-11-1.00494843E-14 2 2.43325403E+04-2.72580512E+01 2.72340583E+00 6.21148066E-03-3.35486353E-06 3 1.11600988E-09-1.24984144E-13 2.63576481E+04-1.60274801E+00 4 C*C.CHOA 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1390.000 11 9.78111516E+00 7.50969243E-03-2.61556340E-06 4.11046955E-10-2.40514603E-14 2 1.42055163E+04-2.50656489E+01 1.99806192E+00 2.72342740E-02-2.24050331E-05 3 9.68257238E-09-1.71138082E-12 1.67830831E+04 1.62359919E+01 4 C*CC.*O 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1394.000 11 1.02517672E+01 7.11161788E-03-2.47859555E-06 3.89701789E-10-2.28099450E-14 2 7.38113598E+03-2.80051215E+01 1.19991512E+00 3.21861956E-02-2.99799111E-05 3 1.42941467E-08-2.70432482E-12 1.01657242E+04 1.92728350E+01 4 C*C*CO. 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1404.000 01 9.43808915E+00 7.80873322E-03-2.62788885E-06 4.03620687E-10-2.32440753E-14 2 2.48546667E+04-2.38534583E+01 4.63551039E-01 3.24991413E-02-2.90764106E-05 3 1.33311056E-08-2.42515723E-12 2.75820607E+04 2.29955775E+01 4 C*C.C*O 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1385.000 11 9.95061706E+00 7.48231547E-03-2.63296908E-06 4.16643641E-10-2.44964809E-14 2 1.52635740E+04-2.57254423E+01 2.00038061E+00 2.63297644E-02-2.00464843E-05 3 7.90026314E-09-1.28348680E-12 1.80179607E+04 1.69108353E+01 4 C@CCO. 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1367.000 11 9.75277608E+00 7.75771765E-03-2.75276344E-06 4.38006527E-10-2.58507000E-14 2 2.67609279E+04-2.55487712E+01 3.39131676E+00 1.99609067E-02-1.09535248E-05 3 2.63964106E-09-2.03343869E-13 2.92854315E+04 9.64418139E+00 4 C@CC.OH 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1384.000 21 9.55665414E+00 7.07940691E-03-2.42485066E-06 3.76961633E-10-2.18948216E-14 2 1.85189385E+04-2.32439381E+01 3.77440378E+00 1.98371947E-02-1.29895536E-05 3 4.29303955E-09-5.72390472E-13 2.06057998E+04 8.08331162E+00 4 C@CCOO 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1373.000 21 1.07126601E+01 9.00182470E-03-3.16661076E-06 5.00919031E-10-2.94427667E-14 2 2.63039797E+04-2.60904423E+01 4.64300083E+00 2.07348872E-02-1.14539170E-05 3 3.08894345E-09-3.43372941E-13 2.87354914E+04 7.50923372E+00 4 C.@CCOOH 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1361.000 31 1.31718178E+01 6.60430007E-03-2.36767478E-06 3.79333900E-10-2.24958827E-14 2 4.79417532E+04-3.87763100E+01 5.76707758E+00 2.11419969E-02-1.20522380E-05 3 2.69347802E-09-1.02945487E-13 5.07837785E+04 1.96411289E+00 4 C@CC.OOH 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1474.000 31 1.32876105E+01 6.57106619E-03-2.37205080E-06 3.81782201E-10-2.27135403E-14 2 2.40011592E+04-4.28455867E+01 5.11923816E+00 2.05613165E-02-8.13033445E-06 3 -8.78217422E-10 8.44305422E-13 2.72706259E+04 2.70437177E+00 4 C*C*COO 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1398.000 11 1.14169154E+01 8.17699808E-03-2.73820999E-06 4.19077911E-10-2.40719882E-14 2 2.75784905E+04-2.92527280E+01 2.50995667E+00 3.44567677E-02-3.31504505E-05 3 1.64132382E-08-3.19045701E-12 3.01562458E+04 1.66952971E+01 4 C.*C*COOH 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1402.000 21 1.36153024E+01 6.19267931E-03-2.12124064E-06 3.29770699E-10-1.91540992E-14 2 3.24214535E+04-4.09195974E+01 2.51211063E+00 3.96303793E-02-4.10757395E-05 3 2.07620168E-08-4.03462291E-12 3.55234604E+04 1.60448411E+01 4 C.@COOC 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1456.000 31 1.45727019E+01 5.45178732E-03-1.97978997E-06 3.19910446E-10-1.90849484E-14 2 5.93584374E+04-4.69231842E+01 4.91079907E+00 2.54610684E-02-1.58900693E-05 3 3.65714707E-09-8.21750483E-14 6.28619901E+04 5.69700486E+00 4 C@COOC. 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1392.000 31 1.54441808E+01 4.65447795E-03-1.69125441E-06 2.73396504E-10-1.63146955E-14 2 4.17782317E+04-5.14549536E+01 4.11560185E+00 3.37625994E-02-3.03480232E-05 3 1.30704802E-08-2.19486819E-12 4.53767180E+04 8.33133446E+00 4 C*CO.CHO 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1391.000 11 1.23475001E+01 7.54138240E-03-2.55932565E-06 3.95831653E-10-2.29221484E-14 2 -7.89053245E+03-3.76674459E+01 2.78180507E+00 3.14693477E-02-2.55790773E-05 3 1.04951786E-08-1.72152018E-12-4.76487569E+03 1.30826349E+01 4 C.C*OCHO 11/12/97 C 3H 3O 2 0G 300.000 5000.000 1366.000 21 1.19458616E+01 7.85769461E-03-2.75512453E-06 4.35293857E-10-2.55762289E-14 2 -1.67496688E+04-3.42880257E+01 3.67730727E+00 2.47681302E-02-1.48973324E-05 3 3.88164919E-09-3.00920454E-13-1.36534385E+04 1.09482737E+01 4 C@CC 11/12/97 C 3H 4 0 0G 300.000 5000.000 1361.000 11 7.82375971E+00 9.40009504E-03-3.31992737E-06 5.26581431E-10-3.10092843E-14 2 1.83958734E+04-1.97410978E+01 2.36172918E+00 1.71141946E-02-4.77661324E-06 3 -1.33111337E-09 6.52367983E-13 2.08645538E+04 1.14979190E+01 4 CYCC*C 11/12/97 C 3H 4 0 0G 300.000 5000.000 1402.000 01 7.65848488E+00 9.42711074E-03-3.20810690E-06 4.96345856E-10-2.87264729E-14 2 2.96107567E+04-1.92265920E+01-1.19977652E+00 3.23913111E-02-2.65214165E-05 3 1.14104611E-08-1.99311102E-12 3.24623839E+04 2.75456496E+01 4 C@CCOOH 11/12/97 C 3H 4O 2 0G 300.000 5000.000 1377.000 31 1.37842636E+01 8.63987333E-03-3.07132534E-06 4.89304705E-10-2.89040586E-14 2 6.92304509E+03-4.42986054E+01 4.17934150E+00 3.03306307E-02-2.18896475E-05 3 8.02393700E-09-1.21207350E-12 1.03619945E+04 7.60123871E+00 4 C*C*COOH 11/12/97 C 3H 4O 2 0G 300.000 5000.000 1401.000 21 1.39162229E+01 8.28142174E-03-2.80052361E-06 4.31804292E-10-2.49425507E-14 2 8.29031940E+03-4.44481251E+01 1.51914807E+00 4.33917829E-02-4.14246457E-05 3 1.97379698E-08-3.67721966E-12 1.19531906E+04 1.99051805E+01 4 C@CCOOC 11/12/97 C 3H 4O 2 0G 300.000 5000.000 1515.000 31 1.48519334E+01 7.87147556E-03-2.83975179E-06 4.56874749E-10-2.71734513E-14 2 1.83438643E+04-5.07716936E+01 4.88809487E+00 2.57737944E-02-1.17340314E-05 3 2.89908090E-10 7.01139427E-13 2.22607620E+04 4.51470090E+00 4 C*COHCHO 11/12/97 C 3H 4O 2 0G 300.000 5000.000 1392.000 21 1.25174832E+01 9.25092950E-03-3.09182274E-06 4.73170919E-10-2.71968472E-14 2 -3.42133397E+04-3.84894560E+01 2.68533681E+00 3.36522122E-02-2.63877068E-05 3 1.06229642E-08-1.72408951E-12-3.09762172E+04 1.37510441E+01 4 CC*OC*O 11/12/97 C 3H 4O 2 0G 300.000 5000.000 1373.000 21 1.18377936E+01 1.06832643E-02-3.76864788E-06 5.97374721E-10-3.51655013E-14 2 -3.80189846E+04-3.53976752E+01 1.97192949E+00 3.01085469E-02-1.67791836E-05 3 3.73805387E-09-1.49790837E-13-3.42361657E+04 1.88652981E+01 4 CCC.*O 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1373.000 21 9.87881997E+00 1.17515676E-02-4.00614923E-06 6.20850617E-10-3.59835225E-14 2 -8.47292283E+03-2.49235196E+01 2.93313947E+00 2.47427911E-02-1.21222003E-05 3 2.34701047E-09-5.26843337E-14-5.69663063E+03 1.35958355E+01 4 CC.CHO 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1385.000 21 1.07327880E+01 1.12075393E-02-3.85589969E-06 6.01089165E-10-3.49759995E-14 2 -7.32975735E+03-3.20751834E+01 1.77395675E+00 3.24793997E-02-2.38441648E-05 3 9.46815730E-09-1.58900622E-12-4.19551357E+03 1.60146358E+01 4 C.CCHO 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1371.000 21 9.97669730E+00 1.15899378E-02-3.93593247E-06 6.08601507E-10-3.52246874E-14 2 -3.71966345E+03-2.42959564E+01 2.95202753E+00 2.48297051E-02-1.23487153E-05 3 2.49449869E-09-8.44820686E-14-9.23323349E+02 1.46236244E+01 4 C2.C*O 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1381.000 21 1.11735410E+01 1.11584714E-02-3.91180706E-06 6.17472643E-10-3.62420714E-14 2 -9.98609793E+03-3.41957421E+01 1.25356598E+00 3.19110796E-02-1.96823442E-05 3 5.71778073E-09-6.12338543E-13-6.28950795E+03 1.99565294E+01 4 C*CCO. 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1380.000 11 1.02551752E+01 1.14983720E-02-3.84645659E-06 5.88910346E-10-3.38557923E-14 2 6.26560810E+03-2.77655042E+01 1.19822582E+00 3.05579837E-02-1.80630276E-05 3 4.86150033E-09-4.19854562E-13 9.58217784E+03 2.15566221E+01 4 C*CC.OH 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1382.000 21 1.00003097E+01 1.18210987E-02-4.06650698E-06 6.33924785E-10-3.68885791E-14 2 -3.02777325E+03-2.76943367E+01 1.04349003E+00 2.99540416E-02-1.68979915E-05 3 4.17147282E-09-2.92719067E-13 3.55778697E+02 2.13896850E+01 4 C.*CCOH 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1375.000 21 1.05824320E+01 1.08691905E-02-3.64563529E-06 5.59248593E-10-3.21967246E-14 2 9.83170697E+03-2.79185883E+01 2.04394325E+00 2.84167526E-02-1.61963573E-05 3 4.01638982E-09-2.69394994E-13 1.30036622E+04 1.87349980E+01 4 C.CYC2O 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1403.000 11 1.05241952E+01 1.17171337E-02-4.01048296E-06 6.22951052E-10-3.61554158E-14 2 8.59716439E+03-3.08898054E+01-1.58934652E+00 4.29295838E-02-3.53364504E-05 3 1.50686698E-08-2.59374178E-12 1.24981362E+04 3.31087550E+01 4 CCYC.CO 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1403.000 11 1.08070210E+01 1.14741665E-02-3.92560675E-06 6.09555210E-10-3.53683111E-14 2 5.85808486E+03-3.34640759E+01-1.43721289E+00 4.41797499E-02-3.81530166E-05 3 1.70767988E-08-3.06667015E-12 9.70068578E+03 3.08402094E+01 4 CYCC.CO 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1500.000 01 9.54919401E+00 1.24589889E-02-4.16772968E-06 6.38317092E-10-3.67121281E-14 2 8.98857062E+03-2.68891267E+01-2.90564984E+00 3.94047506E-02-2.46361352E-05 3 6.76395340E-09-5.46975503E-13 1.34060147E+04 4.05586661E+01 4 CYC.CCO 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1401.000 01 9.95508688E+00 1.26103344E-02-4.31648643E-06 6.70590135E-10-3.89271335E-14 2 7.61934858E+03-3.05969892E+01-3.32982924E+00 4.63628835E-02-3.76007780E-05 3 1.57303894E-08-2.65660937E-12 1.19370389E+04 3.97463286E+01 4 C*C.COH 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1379.000 21 1.01227168E+01 1.10296723E-02-3.65066940E-06 5.54829528E-10-3.17297734E-14 2 7.75836104E+03-2.47696506E+01 2.68469597E+00 2.63097502E-02-1.46160232E-05 3 3.61379401E-09-2.53698739E-13 1.05277226E+04 1.58822727E+01 4 C*CO.C 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1371.000 11 1.05908185E+01 1.14398579E-02-3.87572047E-06 5.98578154E-10-3.46235879E-14 2 1.57968499E+03-3.06807888E+01 1.68259696E+00 2.93658304E-02-1.63600385E-05 3 3.90137171E-09-2.36601796E-13 4.94807379E+03 1.81637528E+01 4 C*COHC. 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1390.000 21 1.09430855E+01 1.06871822E-02-3.60585810E-06 5.55097455E-10-3.20280688E-14 2 -6.33902788E+03-3.23812615E+01 7.27917929E-01 3.63126968E-02-2.87303030E-05 3 1.19522244E-08-2.03303678E-12-2.96370896E+03 2.18631803E+01 4 C.*COHC 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1378.000 21 1.06239656E+01 1.08125698E-02-3.62076487E-06 5.54761125E-10-3.19093790E-14 2 5.37173791E+03-2.88900402E+01 2.40780300E+00 2.84074897E-02-1.73792723E-05 3 5.16825210E-09-5.79881061E-13 8.37446901E+03 1.57866611E+01 4 CC*C.OH 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1402.000 21 1.05189758E+01 1.08797373E-02-3.63058083E-06 5.54259185E-10-3.17783023E-14 2 3.90111588E+03-2.82600105E+01 1.88751055E+00 3.31789262E-02-2.61908310E-05 3 1.10827659E-08-1.92161211E-12 6.68828935E+03 1.73433910E+01 4 CC.*COH 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1400.000 21 1.00951508E+01 1.12583681E-02-3.76470020E-06 5.75512381E-10-3.30272193E-14 2 5.27684245E+03-2.59481472E+01 2.10369926E+00 3.10099592E-02-2.28210204E-05 3 9.07727327E-09-1.50098164E-12 7.95240729E+03 1.66002585E+01 4 C.C*COH 11/12/97 C 3H 5O 1 0G 300.000 5000.000 1398.000 21 1.14917280E+01 1.05566597E-02-3.62876471E-06 5.65268414E-10-3.28725405E-14 2 -5.86492394E+03-3.61308144E+01-4.22340826E-01 4.31110344E-02-3.86739941E-05 3 1.79301265E-08-3.31841988E-12-2.17692823E+03 2.62179944E+01 4 CYC.CCOO 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1375.000 01 1.35270084E+01 1.29168149E-02-4.60277926E-06 7.34506001E-10-4.34400284E-14 2 1.10062581E+03-4.78971064E+01-2.01467201E+00 4.59439001E-02-2.98460146E-05 3 8.77164428E-09-8.93524175E-13 6.77720402E+03 3.66560039E+01 4 CYCC.COO 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1370.000 01 1.28950551E+01 1.34867236E-02-4.80732339E-06 7.67311987E-10-4.53873261E-14 2 2.62573669E+03-4.44004380E+01-2.85141714E+00 4.53216508E-02-2.67553532E-05 3 6.25770700E-09-2.69914759E-13 8.51635468E+03 4.18045998E+01 4 C(O.)CCHO 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1372.000 31 1.25081089E+01 1.18204311E-02-4.07367580E-06 6.36275172E-10-3.70892453E-14 2 -2.00106234E+04-3.65336476E+01 2.85001189E+00 3.17806186E-02-1.91167438E-05 3 5.51901259E-09-6.07361917E-13-1.63667120E+04 1.63114582E+01 4 C*CCOO. 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1381.000 21 1.14687192E+01 1.33620950E-02-4.64909603E-06 7.30008112E-10-4.26860661E-14 2 5.62791269E+03-3.00185081E+01 3.15496241E+00 3.03579225E-02-1.78548963E-05 3 5.50005234E-09-7.39632371E-13 8.85877071E+03 1.56621717E+01 4 C*CC.OOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1386.000 11 1.30016822E+01 1.25160016E-02-4.36560341E-06 6.86745947E-10-4.02108180E-14 2 3.69728463E+03-4.10179614E+01 1.84198965E+00 3.78775025E-02-2.65281353E-05 3 9.61170457E-09-1.44394312E-12 7.67634085E+03 1.92233789E+01 4 C.*CCOOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1393.000 11 1.27695999E+01 1.24355164E-02-4.27407026E-06 6.65629675E-10-3.86990862E-14 2 1.69614412E+04-3.64218540E+01 3.00565502E+00 3.65339191E-02-2.79195850E-05 3 1.15772078E-08-2.00840176E-12 2.02815322E+04 1.56564790E+01 4 C*COOC. 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1385.000 21 1.48773650E+01 1.06831369E-02-3.77578114E-06 5.99216101E-10-3.53015274E-14 2 1.37350698E+04-4.88934333E+01 1.88163617E+00 4.40299162E-02-3.78717407E-05 3 1.69387925E-08-3.07798395E-12 1.80160766E+04 1.99561063E+01 4 C.*CCOOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1383.000 31 1.38395713E+01 1.10732080E-02-3.89478595E-06 6.16109561E-10-3.62151339E-14 2 1.64573480E+04-4.26254180E+01 3.01622965E+00 3.61014532E-02-2.64309570E-05 3 1.00859269E-08-1.60413069E-12 2.02872053E+04 1.56713802E+01 4 C*C.COOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1377.000 31 1.33290084E+01 1.15058565E-02-4.04365808E-06 6.39296674E-10-3.75627975E-14 2 1.55175468E+04-3.95292938E+01 4.01823277E+00 3.06461078E-02-1.85122863E-05 3 5.42911898E-09-6.26422677E-13 1.90625146E+04 1.14875061E+01 4 C.*COOHC 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1382.000 41 1.35806279E+01 1.06916810E-02-3.72464404E-06 5.85582560E-10-3.42783947E-14 2 1.60116548E+04-4.09140993E+01 3.29219912E+00 3.54882102E-02-2.74243921E-05 3 1.12769787E-08-1.93557244E-12 1.95694106E+04 1.41752272E+01 4 C*COOHC. 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1387.000 31 1.41209561E+01 1.06806276E-02-3.72634785E-06 5.86454772E-10-3.43547383E-14 2 4.14267531E+03-4.58890542E+01 1.41398736E+00 4.36915869E-02-3.77522335E-05 3 1.69385181E-08-3.07492244E-12 8.27014121E+03 2.12566515E+01 4 C*COO.C 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1379.000 31 1.12450443E+01 1.29380264E-02-4.46171790E-06 6.96541751E-10-4.05686706E-14 2 5.16843661E+03-2.81059161E+01 3.38123454E+00 2.99682926E-02-1.91363187E-05 3 6.84117870E-09-1.09931856E-12 8.14811549E+03 1.47966509E+01 4 CC*C.OOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1391.000 41 1.42513969E+01 1.01178027E-02-3.52436271E-06 5.53970058E-10-3.24202068E-14 2 1.38897115E+04-4.49367769E+01 2.79336710E+00 3.94329757E-02-3.30907532E-05 3 1.44144284E-08-2.54754115E-12 1.76392956E+04 1.57394550E+01 4 CC.*COOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1395.000 31 1.34012632E+01 1.09638748E-02-3.74914770E-06 5.82027845E-10-3.37680602E-14 2 1.57422381E+04-4.01021342E+01 2.86410078E+00 3.80449781E-02-3.11478767E-05 3 1.34385696E-08-2.36382195E-12 1.91743890E+04 1.56470147E+01 4 C.C*COOH 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1396.000 31 1.48853060E+01 1.00287908E-02-3.49951858E-06 5.50734313E-10-3.22588110E-14 2 4.59570661E+03-5.07088322E+01 2.33849013E-01 5.06164540E-02-4.76419730E-05 3 2.25681004E-08-4.21425470E-12 9.06034937E+03 2.57443734E+01 4 CC*COO. 11/12/97 C 3H 5O 2 0G 300.000 5000.000 1394.000 21 1.15782906E+01 1.27424605E-02-4.31804976E-06 6.66053719E-10-3.84633153E-14 2 5.85343315E+03-3.07667584E+01 2.06136746E+00 3.76499504E-02-3.04234518E-05 3 1.34749903E-08-2.46768298E-12 8.95681628E+03 1.95059267E+01 4 CC.QC*O 11/12/97 C 3H 5O 3 0G 300.000 5000.000 1388.000 41 1.69833045E+01 1.06249265E-02-3.76354534E-06 5.98189059E-10-3.52795545E-14 2 -1.93826312E+04-5.77664140E+01 1.91661323E+00 4.99009543E-02-4.41370875E-05 3 1.98499632E-08-3.57754009E-12-1.45305779E+04 2.17528159E+01 4 CYCC.OOCQ 11/12/97 C 3H 5O 4 0G 300.000 5000.000 1386.000 21 2.03530423E+01 1.15247963E-02-4.16104720E-06 6.69822524E-10-3.98547718E-14 2 -1.36783998E+04-7.79687085E+01-1.80354502E+00 6.59104929E-02-5.51375102E-05 3 2.23421129E-08-3.56231830E-12-6.35577872E+03 3.99156953E+01 4 CYCCOOCQ. 11/12/97 C 3H 5O 4 0G 300.000 5000.000 1385.000 11 1.80948044E+01 1.38041629E-02-4.93150117E-06 7.88292985E-10-4.66758143E-14 2 -1.67009712E+04-6.73584490E+01-2.75816934E+00 6.46788426E-02-5.28639185E-05 3 2.15262859E-08-3.51409175E-12-9.70879208E+03 4.38162581E+01 4 CYC.COOCQ 11/12/97 C 3H 5O 4 0G 300.000 5000.000 1386.000 21 2.03530423E+01 1.15247963E-02-4.16104720E-06 6.69822524E-10-3.98547718E-14 2 -1.46849423E+04-7.79687085E+01-1.80354502E+00 6.59104929E-02-5.51375102E-05 3 2.23421129E-08-3.56231830E-12-7.36232126E+03 3.99156953E+01 4 C*OCQCO. 11/12/97 C 3H 5O 4 0G 300.000 5000.000 1387.000 41 1.82950099E+01 1.20552587E-02-4.25618162E-06 6.75011153E-10-3.97497618E-14 2 -3.43610304E+04-6.17706671E+01 3.55790952E+00 4.82158902E-02-3.89302858E-05 3 1.61065933E-08-2.71160187E-12-2.93977364E+04 1.67953038E+01 4 C*OCQ.COH 11/12/97 C 3H 5O 4 0G 300.000 5000.000 1386.000 41 1.59048669E+01 1.38558890E-02-4.82337252E-06 7.57674706E-10-4.43174357E-14 2 -4.14116662E+04-4.71520941E+01 4.41098490E+00 4.12936170E-02-3.09010696E-05 3 1.25101492E-08-2.13927792E-12-3.73903900E+04 1.45179658E+01 4 C.*OCQCOH 11/12/97 C 3H 5O 4 0G 300.000 5000.000 1393.000 41 1.73218058E+01 1.26471331E-02-4.40604145E-06 6.92558669E-10-4.05290872E-14 2 -4.14626380E+04-5.46531979E+01 4.01202427E+00 4.58103572E-02-3.68299832E-05 3 1.54203718E-08-2.63772731E-12-3.70227123E+04 1.61361556E+01 4 C*CC 11/12/97 C 3H 6 0 0G 300.000 5000.000 1388.000 11 8.01595958E+00 1.37023634E-02-4.66249733E-06 7.21254402E-10-4.17370126E-14 2 -1.87821271E+03-2.00160668E+01 3.94615446E-01 2.89107662E-02-1.54886808E-05 3 3.88814209E-09-3.37890352E-13 1.06688164E+03 2.19003736E+01 4 CCCHO 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1378.000 21 1.02427695E+01 1.39641989E-02-4.76248001E-06 7.38105706E-10-4.27759503E-14 2 -2.74143135E+04-2.85346843E+01 2.16308444E+00 2.95501264E-02-1.52446252E-05 3 3.49503947E-09-2.38896627E-13-2.42260137E+04 1.61153348E+01 4 C2CO 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1374.000 21 9.91421984E+00 1.46030709E-02-5.06085765E-06 7.92682855E-10-4.62739645E-14 2 -3.11167423E+04-2.86113215E+01 1.30767163E+00 2.92021742E-02-1.19045617E-05 3 6.52150087E-10 4.67751203E-13-2.75328269E+04 1.96395025E+01 4 C.CO.C 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1394.000 21 1.10433202E+01 1.34431296E-02-4.61421706E-06 7.17956991E-10-4.17151161E-14 2 -3.82808006E+04-3.11309718E+01 6.40763817E-01 3.86630768E-02-2.87205550E-05 3 1.15055893E-08-1.93047265E-12-3.47123035E+04 2.44906779E+01 4 CC.O.C 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1395.000 21 1.14544438E+01 1.30722565E-02-4.48094346E-06 6.96554125E-10-4.04432448E-14 2 -3.82972623E+04-3.45102586E+01 1.25470143E+00 3.89278692E-02-3.06433430E-05 3 1.31275929E-08-2.33847059E-12-3.48931433E+04 1.96570630E+01 4 CC.CO. 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1547.000 21 1.05069046E+01 1.32596095E-02-4.42446735E-06 6.76307668E-10-3.88378798E-14 2 -3.60261090E+04-2.67373181E+01 1.71546846E+00 2.86615254E-02-1.15206514E-05 3 4.22461701E-11 7.11110851E-13-3.25194469E+04 2.22008616E+01 4 C2.CHO. 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1385.000 31 1.15877438E+01 1.28901231E-02-4.49926323E-06 7.08057759E-10-4.14688730E-14 2 -4.00792893E+04-3.48107136E+01 7.49517839E-01 3.78264627E-02-2.69789190E-05 3 1.02346232E-08-1.64145024E-12-3.62102386E+04 2.36460756E+01 4 CCCHO 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1378.000 21 1.02427695E+01 1.39641989E-02-4.76248001E-06 7.38105706E-10-4.27759503E-14 2 -2.74143135E+04-2.85346843E+01 2.16308444E+00 2.95501264E-02-1.52446252E-05 3 3.49503947E-09-2.38896627E-13-2.42260137E+04 1.61153348E+01 4 C*CCOH 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1388.000 21 1.02818222E+01 1.34248012E-02-4.47039448E-06 6.81924195E-10-3.90899553E-14 2 -1.99960114E+04-2.77736680E+01 1.08899314E+00 3.28481769E-02-1.91322648E-05 3 5.21635136E-09-4.82394566E-13-1.66282463E+04 2.22754535E+01 4 CCYC2O 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1402.000 11 1.09384588E+01 1.38667694E-02-4.74181401E-06 7.36055429E-10-4.26989064E-14 2 -1.64686056E+04-3.59705135E+01-2.36942915E+00 4.75092504E-02-3.78477674E-05 3 1.57261864E-08-2.65562947E-12-1.21122088E+04 3.45777018E+01 4 CYCCCO 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1401.000 01 1.01100563E+01 1.49541843E-02-5.10990606E-06 7.92942166E-10-4.59932171E-14 2 -1.47112100E+04-3.32235593E+01-4.26711457E+00 4.97451250E-02-3.73825990E-05 3 1.44214791E-08-2.25153265E-12-9.87599876E+03 4.35004912E+01 4 C*COHC 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1374.000 21 1.07381025E+01 1.31698194E-02-4.41529622E-06 6.77009837E-10-3.89608901E-14 2 -2.47298321E+04-3.13634050E+01 1.58376391E+00 3.16215366E-02-1.73664942E-05 3 4.18927663E-09-2.79899620E-13-2.12643496E+04 1.88313766E+01 4 CC*COH 11/12/97 C 3H 6O 1 0G 300.000 5000.000 1402.000 21 1.07325199E+01 1.32155442E-02-4.42961587E-06 6.78297050E-10-3.89733124E-14 2 -2.38891328E+04-3.15984637E+01 3.52012104E-01 3.93735327E-02-3.01435659E-05 3 1.23340635E-08-2.07596681E-12-2.04746672E+04 2.34739718E+01 4 CYC3O2 11/12/97 C 3H 6O 2 0G 300.000 5000.000 1382.000 01 1.39786523E+01 1.50893888E-02-5.35427186E-06 8.52045503E-10-5.02942787E-14 2 -2.12514678E+04-5.36157522E+01-4.24466192E+00 5.54917499E-02-3.85339629E-05 3 1.27979550E-08-1.63301440E-12-1.47551196E+04 4.49444405E+01 4 C(OH)CCHO 11/12/97 C 3H 6O 2 0G 300.000 5000.000 1377.000 31 1.22894577E+01 1.39823973E-02-4.69687007E-06 7.21074719E-10-4.15305994E-14 2 -4.61357885E+04-3.50722245E+01 2.71184298E+00 3.42800624E-02-2.06440401E-05 3 6.25584618E-09-7.60656251E-13-4.25744744E+04 1.71499324E+01 4 C*CCQ 11/12/97 C 3H 6O 2 0G 300.000 5000.000 1387.000 21 1.33918316E+01 1.42216254E-02-4.93409727E-06 7.73355781E-10-4.51658585E-14 2 -1.33939438E+04-4.18851361E+01 2.16689164E+00 3.95070151E-02-2.69257940E-05 3 9.64345940E-09-1.45209554E-12-9.34908833E+03 1.88212529E+01 4 C*COOC 11/12/97 C 3H 6O 2 0G 300.000 5000.000 1386.000 21 1.41405689E+01 1.37574525E-02-4.81321979E-06 7.58671860E-10-4.44832166E-14 2 -9.68728834E+03-4.68459902E+01 6.77096333E-01 4.69721031E-02-3.74059743E-05 3 1.58220127E-08-2.77275085E-12-5.10939958E+03 2.49691888E+01 4 C*COOHC 11/12/97 C 3H 6O 2 0G 300.000 5000.000 1381.000 41 1.37155334E+01 1.30877285E-02-4.54324375E-06 7.12565552E-10-4.16410300E-14 2 -1.41078978E+04-4.35417291E+01 2.36366411E+00 3.90347098E-02-2.76312999E-05 3 1.03193424E-08-1.62261640E-12-1.00511365E+04 1.77257477E+01 4 CC*COOH 11/12/97 C 3H 6O 2 0G 300.000 5000.000 1392.000 41 1.44476229E+01 1.24864814E-02-4.33872499E-06 6.80812123E-10-3.97950135E-14 2 -1.36435846E+04-4.81818231E+01 1.21414890E+00 4.58377131E-02-3.73843159E-05 3 1.58951179E-08-2.75563253E-12-9.26574671E+03 2.20697110E+01 4 CYCCOOCQ 11/12/97 C 3H 6O 4 0G 300.000 5000.000 1387.000 21 2.05624096E+01 1.39489650E-02-5.00965642E-06 8.03611330E-10-4.76997047E-14 2 -3.59709866E+04-8.23638794E+01-3.73288830E+00 7.35841575E-02-6.11300758E-05 3 2.48575243E-08-4.00299308E-12-2.79154072E+04 4.69429138E+01 4 C*OCQCOH 11/12/97 C 3H 6O 4 0G 300.000 5000.000 1392.000 41 1.81452363E+01 1.45163020E-02-5.05611206E-06 7.94643853E-10-4.64999839E-14 2 -6.06176349E+04-6.09807247E+01 3.08725848E+00 5.13859670E-02-4.03141123E-05 3 1.64296254E-08-2.74120441E-12-5.55366851E+04 1.93252125E+01 4 CCC. 11/12/97 C 3H 7 0 0G 300.000 5000.000 1386.000 21 8.87891889E+00 1.51926066E-02-5.19821700E-06 8.07099695E-10-4.68244711E-14 2 7.21999864E+03-2.29020523E+01 4.89680105E-01 3.17745383E-02-1.69420751E-05 3 4.27222899E-09-3.88106071E-13 1.04955773E+04 2.33241310E+01 4 CC.C 11/12/97 C 3H 7 0 0G 300.000 5000.000 1999.000 21 7.09059577E+00 1.70219362E-02-5.94894999E-06 9.40795995E-10-5.53826830E-14 2 6.75883699E+03-1.26909429E+01 6.38704055E-01 2.84865544E-02-1.14329581E-05 3 8.81112867E-10 3.15683673E-13 9.22131415E+03 2.30629265E+01 4 C2.COH 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1396.000 31 1.10944203E+01 1.53549108E-02-5.23574640E-06 8.10964124E-10-4.69665855E-14 2 -1.36782621E+04-3.12908162E+01 5.84672923E-01 4.07370189E-02-2.94865043E-05 3 1.16950656E-08-1.96228356E-12-1.00506024E+04 2.49591243E+01 4 C2C.OH 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1396.000 31 1.15026438E+01 1.49881248E-02-5.10421074E-06 7.89864272E-10-4.57135659E-14 2 -1.64117315E+04-3.53443368E+01 1.18802517E+00 4.10410262E-02-3.14650841E-05 3 1.33514692E-08-2.37788249E-12-1.29472655E+04 1.94868378E+01 4 C2COJ 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1395.000 21 1.14592753E+01 1.55902812E-02-5.34443227E-06 8.30858106E-10-4.82455289E-14 2 -1.24638531E+04-3.62203624E+01-1.00369573E-01 4.31118928E-02-3.10631817E-05 3 1.20668364E-08-1.97214967E-12-8.44902998E+03 2.57650009E+01 4 C.CCOH 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1392.000 31 1.06573810E+01 1.55684549E-02-5.27663821E-06 8.14099260E-10-4.70228616E-14 2 -1.13734630E+04-2.78840294E+01 9.75268383E-01 3.69225253E-02-2.32066980E-05 3 7.68472523E-09-1.06762046E-12-7.84619953E+03 2.46270153E+01 4 CC.COH 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1674.000 31 9.31287816E+00 1.67579212E-02-5.75555480E-06 9.00584362E-10-5.26566836E-14 2 -1.20169635E+04-1.95011064E+01 1.20494302E+00 3.30857885E-02-1.63893637E-05 3 3.18103918E-09-6.84229287E-14-9.12961720E+03 2.47155202E+01 4 CCC.OH 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1393.000 31 1.10500439E+01 1.52562747E-02-5.17257413E-06 7.98146428E-10-4.61030406E-14 2 -1.49623921E+04-3.11722496E+01 1.49130595E+00 3.76502110E-02-2.58507542E-05 3 9.78662277E-09-1.58835656E-12-1.15861733E+04 2.02462575E+01 4 C.OCC 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1384.000 31 1.15266155E+01 1.51244278E-02-5.18944649E-06 8.07428862E-10-4.69173895E-14 2 -9.21256739E+03-3.42848301E+01 1.19013173E+00 3.89416762E-02-2.70227114E-05 3 1.03639969E-08-1.72045731E-12-5.49015096E+03 2.15137064E+01 4 COCC. 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1382.000 31 1.09263092E+01 1.56980166E-02-5.40145597E-06 8.42001247E-10-4.89904877E-14 2 -6.83774930E+03-3.05750575E+01 6.31341039E-01 3.78683576E-02-2.38032093E-05 3 7.98191745E-09-1.15767491E-12-2.98479634E+03 2.55334714E+01 4 COC.C 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1383.000 31 1.12658266E+01 1.53775829E-02-5.28417064E-06 8.23016186E-10-4.78583917E-14 2 -1.04556986E+04-3.34774229E+01 7.79542922E-01 3.91078686E-02-2.65223732E-05 3 9.88284622E-09-1.59935069E-12-6.63682557E+03 2.32820275E+01 4 CCOHC. 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1396.000 31 1.10944203E+01 1.53549108E-02-5.23574640E-06 8.10964124E-10-4.69665855E-14 2 -1.36782621E+04-3.12908162E+01 5.84672923E-01 4.07370189E-02-2.94865043E-05 3 1.16950656E-08-1.96228356E-12-1.00506024E+04 2.49591243E+01 4 CC.OHC 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1396.000 31 1.15026438E+01 1.49881248E-02-5.10421074E-06 7.89864272E-10-4.57135659E-14 2 -1.72672926E+04-3.53443368E+01 1.18802517E+00 4.10410262E-02-3.14650841E-05 3 1.33514692E-08-2.37788249E-12-1.38028266E+04 1.94868378E+01 4 CCO.C 11/12/97 C 3H 7O 1 0G 300.000 5000.000 1395.000 21 1.14592753E+01 1.55902812E-02-5.34443227E-06 8.30858106E-10-4.82455289E-14 2 -1.24638531E+04-3.62203624E+01-1.00369573E-01 4.31118928E-02-3.10631817E-05 3 1.20668364E-08-1.97214967E-12-8.44902998E+03 2.57650009E+01 4 CCJCQ 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1369.000 41 1.45698875E+01 1.45471186E-02-4.97634313E-06 7.73606581E-10-4.49528816E-14 2 -6.49820134E+03-4.60581941E+01 2.24247295E+00 3.92932185E-02-2.21205540E-05 3 5.25219959E-09-3.03945067E-13-1.83227125E+03 2.15536098E+01 4 CCC.OOH 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1381.000 41 1.46488644E+01 1.50157886E-02-5.24507804E-06 8.25828546E-10-4.83825315E-14 2 -7.60674753E+03-4.65591949E+01 3.35628590E+00 3.90499044E-02-2.46835958E-05 3 8.04866078E-09-1.10678593E-12-3.36905755E+03 1.50588682E+01 4 CJCCQ 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1384.000 41 1.46913556E+01 1.49855771E-02-5.23631391E-06 8.24662169E-10-4.83237066E-14 2 -5.14040221E+03-4.72089672E+01 1.92047143E+00 4.38380491E-02-3.04950083E-05 3 1.11246668E-08-1.70667832E-12-5.41556242E+02 2.18379416E+01 4 C2COO 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1388.000 31 1.32493493E+01 1.64082190E-02-5.67432062E-06 8.87336340E-10-5.17361535E-14 2 -1.32685597E+04-4.15930833E+01 1.49941639E+00 4.43081205E-02-3.22414456E-05 3 1.29687136E-08-2.23370569E-12-9.11637223E+03 2.15471870E+01 4 C2CJQ 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1386.000 31 1.39913908E+01 1.57283475E-02-5.42883069E-06 8.47875899E-10-4.93923640E-14 2 -1.06383755E+04-4.31871969E+01 4.19373465E+00 3.64277973E-02-2.20957279E-05 3 7.04372739E-09-9.62907515E-13-6.93029045E+03 1.03538176E+01 4 C2JCQ 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1393.000 31 1.47690387E+01 1.51007378E-02-5.22040621E-06 8.16246928E-10-4.75893592E-14 2 -7.23084560E+03-4.84395791E+01 1.23891586E+00 4.90701446E-02-3.90518291E-05 3 1.65927048E-08-2.91198201E-12-2.70483410E+03 2.34941074E+01 4 CCOOC. 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1364.000 41 1.61329489E+01 1.41347901E-02-5.03009791E-06 8.01926546E-10-4.73938601E-14 2 -4.59153020E+03-5.67934816E+01 3.45491407E+00 3.78547097E-02-1.96030467E-05 3 3.64256928E-09 1.85255846E-14 4.42810357E+02 1.34613426E+01 4 C.COOC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1363.000 41 1.50295655E+01 1.50911153E-02-5.36430702E-06 8.54551012E-10-5.04766934E-14 2 -3.05881935E+03-5.01401542E+01 2.39378240E+00 3.79384565E-02-1.83725516E-05 3 2.72487852E-09 2.17572577E-13 2.05481806E+03 2.01902033E+01 4 CC.OOC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1359.000 41 1.49574346E+01 1.51024951E-02-5.35625834E-06 8.51972322E-10-5.02706512E-14 2 -5.45156644E+03-4.87795604E+01 4.28728781E+00 3.19668967E-02-1.14665307E-05 3 -8.17519463E-10 8.95633526E-13-8.65330708E+02 1.15141579E+01 4 C.COOHC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1389.000 41 1.53008885E+01 1.44186684E-02-5.02962693E-06 7.91221500E-10-4.63283038E-14 2 -7.48042099E+03-5.15204605E+01 1.26768858E+00 4.87408832E-02-3.81317895E-05 3 1.57324763E-08-2.68334331E-12-2.70531455E+03 2.33945967E+01 4 CC.OOHC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1382.000 41 1.43632150E+01 1.51582743E-02-5.27095864E-06 8.27355936E-10-4.83670073E-14 2 -1.07944830E+04-4.45879839E+01 4.39893676E+00 3.56773239E-02-2.11595980E-05 3 6.43085397E-09-8.26160221E-13-6.96523934E+03 1.00614304E+01 4 CCC 11/12/97 C 3H 8 0 0G 300.000 5000.000 1387.000 21 9.30903615E+00 1.73199401E-02-5.92006308E-06 9.18549779E-10-5.32650089E-14 2 -1.78511121E+04-2.87649046E+01-2.93546757E-01 3.63870252E-02-1.95049623E-05 3 4.95900425E-09-4.55919788E-13-1.41148884E+04 2.41087380E+01 4 C2COH 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1396.000 31 1.15109036E+01 1.75006903E-02-5.96531139E-06 9.23747459E-10-5.34895475E-14 2 -3.87432786E+04-3.63855211E+01-1.76838918E-01 4.52559563E-02-3.19190717E-05 3 1.23062878E-08-2.01412538E-12-3.46643941E+04 2.63322249E+01 4 CCCOH 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1392.000 31 1.10907535E+01 1.76742297E-02-5.98706942E-06 9.23367083E-10-5.33205539E-14 2 -3.64416802E+04-3.30601068E+01 2.11500062E-01 4.14485973E-02-2.56417853E-05 3 8.28216750E-09-1.11303720E-12-3.24595891E+04 2.60160990E+01 4 COCC 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1383.000 31 1.13500003E+01 1.78215455E-02-6.11985371E-06 9.52683869E-10-5.53768551E-14 2 -3.19019990E+04-3.57022481E+01-1.44723265E-01 4.24559153E-02-2.63346134E-05 3 8.64257525E-09-1.21753654E-12-2.75965198E+04 2.69729990E+01 4 CCOHC 11/12/97 C 3H 8O 1 0G 300.000 5000.000 1396.000 31 1.15109036E+01 1.75006903E-02-5.96531139E-06 9.23747459E-10-5.34895475E-14 2 -3.87432786E+04-3.63855211E+01-1.76838918E-01 4.52559563E-02-3.19190717E-05 3 1.23062878E-08-2.01412538E-12-3.46643941E+04 2.63322249E+01 4 CCCQ 11/12/97 C 3H 8O 2 0G 300.000 5000.000 1385.000 41 1.50929439E+01 1.71626417E-02-5.98061850E-06 9.40143634E-10-5.50194206E-14 2 -3.02026631E+04-5.22214992E+01 1.16213360E+00 4.83470151E-02-3.29337874E-05 3 1.17600658E-08-1.76803479E-12-2.51558394E+04 2.32010450E+01 4 C2CQ 11/12/97 C 3H 8O 2 0G 300.000 5000.000 1393.000 31 1.51798500E+01 1.72588902E-02-5.95582835E-06 9.30103562E-10-5.41810502E-14 2 -3.22938683E+04-5.35025958E+01 5.08081371E-01 5.34727759E-02-4.13316503E-05 3 1.71221222E-08-2.94817240E-12-2.73237980E+04 2.47210003E+01 4 CCOOC 11/12/97 C 3H 8O 2 0G 300.000 5000.000 1371.000 41 1.55373715E+01 1.71883951E-02-6.08287869E-06 9.66159935E-10-5.69514086E-14 2 -2.81044820E+04-5.56530986E+01 1.10687505E+00 4.61109274E-02-2.71451489E-05 3 7.57438796E-09-8.10531460E-13-2.25166161E+04 2.37137735E+01 4 CCQC 11/12/97 C 3H 8O 2 0G 300.000 5000.000 1389.000 41 1.57046391E+01 1.65924516E-02-5.77250934E-06 9.06453070E-10-5.30084111E-14 2 -3.25432631E+04-5.65494592E+01 5.19265573E-01 5.32111228E-02-4.05156892E-05 3 1.63346713E-08-2.73751233E-12-2.73212552E+04 2.47055629E+01 4 CC.OOHC 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1382.000 41 1.43632150E+01 1.51582743E-02-5.27095864E-06 8.27355936E-10-4.83670073E-14 2 -1.07944830E+04-4.45879839E+01 4.39893676E+00 3.56773239E-02-2.11595980E-05 3 6.43085397E-09-8.26160221E-13-6.96523934E+03 1.00614304E+01 4 C2C.OOH 11/12/97 C 3H 7O 2 0G 300.000 5000.000 1386.000 31 1.39913908E+01 1.57283475E-02-5.42883069E-06 8.47875899E-10-4.93923640E-14 2 -1.06383755E+04-4.31871969E+01 4.19373465E+00 3.64277973E-02-2.20957279E-05 3 7.04372739E-09-9.62907515E-13-6.93029045E+03 1.03538176E+01 4 CH3CHCO 11/12/97 C 3H 4O 1 0G 300.000 5000.000 1400.000 11 1.00219123E+01 9.56966300E-03-3.26221644E-06 5.05231706E-10-2.92593257E-14 2 -1.42482738E+04-2.77829973E+01 1.48380119E+00 3.22203013E-02-2.70250033E-05 3 1.20499164E-08-2.18365931E-12-1.15276540E+04 1.71552067E+01 4 CH2CHCO 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1393.000 11 1.09948915E+01 6.58000072E-03-2.31832643E-06 3.67178416E-10-2.16020958E-14 2 3.66378652E+03-3.35736261E+01 9.85256572E-01 3.40766982E-02-3.20656686E-05 3 1.51741312E-08-2.83517167E-12 6.74523604E+03 1.87541979E+01 4 C2H3CHO 11/12/97 C 3H 4O 1 0G 300.000 5000.000 1393.000 11 1.04184959E+01 9.48963321E-03-3.29310528E-06 5.16279203E-10-3.01587291E-14 2 -1.49630281E+04-3.07235061E+01 2.92355163E-01 3.54321417E-02-2.94936324E-05 3 1.28100124E-08-2.26144108E-12-1.16521584E+04 2.28878280E+01 4 C2H3CO 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1395.000 11 9.85246439E+00 7.35842829E-03-2.54254396E-06 3.97416553E-10-2.31655181E-14 2 1.68452985E+03-2.69021114E+01 1.45908890E+00 3.08797753E-02-2.86791655E-05 3 1.37711404E-08-2.62739808E-12 4.24774929E+03 1.68540221E+01 4 CHCHCHO 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1394.000 11 1.02666402E+01 7.09612931E-03-2.47272731E-06 3.88739735E-10-2.27523413E-14 2 1.51653800E+04-2.79927436E+01 1.20905268E+00 3.19125216E-02-2.93443761E-05 3 1.38077482E-08-2.58328113E-12 1.79711576E+04 1.93989644E+01 4 CH2CCHO 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1390.000 11 9.78111516E+00 7.50969243E-03-2.61556340E-06 4.11046955E-10-2.40514603E-14 2 1.42055163E+04-2.50656489E+01 1.99806192E+00 2.72342740E-02-2.24050331E-05 3 9.68257238E-09-1.71138082E-12 1.67830831E+04 1.62359919E+01 4 C.*CC 11/12/97 C 3H 5 0 0G 300.000 5000.000 1390.000 11 7.88765880E+00 1.13012591E-02-3.84213130E-06 5.93982677E-10-3.43567175E-14 2 2.82377716E+04-1.74291589E+01 1.32807335E+00 2.53107914E-02-1.51530439E-05 3 4.74345565E-09-6.24666084E-13 3.06873903E+04 1.83328787E+01 4 C*C.C 11/12/97 C 3H 5 0 0G 300.000 5000.000 1382.000 11 7.37492444E+00 1.17510061E-02-4.00021283E-06 6.18947395E-10-3.58215018E-14 2 2.72874911E+04-1.43478655E+01 2.17916644E+00 2.03826623E-02-7.91413833E-06 3 4.76906186E-10 2.70398536E-13 2.94895338E+04 1.48785684E+01 4 C*CC. 11/12/97 C 3H 5 0 0G 300.000 5000.000 1397.000 01 8.45883958E+00 1.12695483E-02-3.83792864E-06 5.94059119E-10-3.43918030E-14 2 1.63576092E+04-2.25809450E+01-5.29131956E-01 3.34559100E-02-2.53401027E-05 3 1.02865754E-08-1.73258340E-12 1.93834226E+04 2.53067131E+01 4 C*CC*O 11/12/97 C 3H 4O 1 0G 300.000 5000.000 1393.000 11 1.04184959E+01 9.48963321E-03-3.29310528E-06 5.16279203E-10-3.01587291E-14 2 -1.49630281E+04-3.07235061E+01 2.92355163E-01 3.54321417E-02-2.94936324E-05 3 1.28100124E-08-2.26144108E-12-1.16521584E+04 2.28878280E+01 4 C*CC.*O 11/12/97 C 3H 3O 1 0G 300.000 5000.000 1395.000 11 9.85246439E+00 7.35842829E-03-2.54254396E-06 3.97416553E-10-2.31655181E-14 2 1.68452985E+03-2.69021114E+01 1.45908890E+00 3.08797753E-02-2.86791655E-05 3 1.37711404E-08-2.62739808E-12 4.24774929E+03 1.68540221E+01 4 CCOHCOH 7/22/97 THERMC 3H 8O 2 0G 300.000 5000.000 1400.000 41 1.32006729E+01 1.80237392E-02-6.10926138E-06 9.42422441E-10-5.44235251E-14 2 -5.73041850E+04-4.01760599E+01 4.11010217E-01 5.00622236E-02-3.78568546E-05 3 1.56297940E-08-2.69420461E-12-5.30241831E+04 2.78351265E+01 4 CCOHCO. 7/22/97 THERMC 3H 7O 2 0G 300.000 5000.000 1399.000 31 1.31402788E+01 1.61208336E-02-5.49083513E-06 8.49890402E-10-4.91989247E-14 2 -3.10201699E+04-3.99591026E+01 4.66050265E-01 4.80056132E-02-3.71308772E-05 3 1.54684345E-08-2.66862073E-12-2.68053157E+04 2.73690405E+01 4 CCO.COH 7/22/97 THERMC 3H 7O 2 0G 300.000 5000.000 1399.000 31 1.31402788E+01 1.61208336E-02-5.49083513E-06 8.49890402E-10-4.91989247E-14 2 -3.10201699E+04-3.99591026E+01 4.66050265E-01 4.80056132E-02-3.71308772E-05 3 1.54684345E-08-2.66862073E-12-2.68053157E+04 2.73690405E+01 4 CCQCOO C 3H 7O 4 0G 300.000 5000.000 1386.000 1 1.91746808E 01 1.59836134E-02-5.61163915E-06 8.86584005E-10-5.20674192E-14 2 -2.56670984E 04-6.65194463E 01 2.65369492E 00 5.73946173E-02-4.70605755E-05 3 2.04360185E-08-3.65661909E-12-2.01065111E 04 2.13875379E 01 4 CC*OCQ C 3H 6O 3 0G 300.000 5000.000 1372.000 1 1.56636727E 01 1.43770461E-02-5.07650287E-06 8.05093949E-10-4.74068536E-14 2 -4.30719352E 04-5.00202871E 01 4.33499058E 00 3.67313721E-02-2.09689595E-05 3 5.60328497E-09-5.60409750E-13-3.86388945E 04 1.24298989E 01 4 CQCJCQ C 3H 7O 4 0G 300.000 5000.000 1378.000 1 1.99678748E 01 1.50912081E-02-5.35242669E-06 8.51430209E-10-5.02429609E-14 2 -1.97379443E 04-6.77609949E 01 3.70147752E 00 5.14277294E-02-3.62966478E-05 3 1.29096581E-08-1.88005321E-12-1.38834785E 04 2.02588883E 01 4 COOCCQ C 3H 7O 4 0G 300.000 5000.000 1382.000 1 1.85833382E 01 1.65317660E-02-5.81119810E-06 9.18849300E-10-5.39920274E-14 2 -2.43363087E 04-6.19495874E 01 3.31524858E 00 5.25672640E-02-3.96073817E-05 3 1.59664558E-08-2.71399821E-12-1.89539004E 04 2.01177013E 01 4 CJCQCQ C 3H 7O 4 0G 300.000 5000.000 1386.000 1 2.12160742E 01 1.39691269E-02-4.95103902E-06 7.87235253E-10-4.64411953E-14 2 -1.98726231E 04-7.56906937E 01 2.46291898E 00 6.15128477E-02-5.23993662E-05 3 2.28106412E-08-4.01152323E-12-1.36978319E 04 2.37636157E 01 4 CQCC*O C 3H 6O 3 0G 300.000 5000.000 1379.000 1 1.60300980E 01 1.39877066E-02-4.92468907E-06 7.79556952E-10-4.58450037E-14 2 -4.02767554E 04-5.29525177E 01 3.20885064E 00 4.11386793E-02-2.61696413E-05 3 8.08033042E-09-9.76294190E-13-3.55136412E 04 1.69521069E 01 4 CCOOCQ C 3H 7O 4 0G 300.000 5000.000 1386.000 1 1.91746808E 01 1.59836134E-02-5.61163915E-06 8.86584005E-10-5.20674192E-14 2 -2.56670984E 04-6.65194463E 01 2.65369492E 00 5.73946273E-02-4.70605755E-05 3 2.04360185E-08-3.65661909E-12-2.01065111E 04 2.13875379E 01 4 CH3OOH C 1H 4O 2 0G 300.000 5000.000 1000.000 1 0.61600316E 01 0.10239957E-01-0.36101507E-05 0.57550301E-09-0.34178147E-13 2 -0.17654526E 05-0.61911544E 01 0.49652507E 01 0.92343510E-03 0.34455956E-04 3 -0.44469600E-07 0.17456120E-10-0.16726970E 05 0.29880275E 01 4 CCQC*O C 3H 6O 3 0G 300.000 5000.000 1388.000 1 1.70756225E 01 1.31013491E-02-4.61949408E-06 7.31991329E-10-4.30788679E-14 2 -4.17008637E 04-6.02673769E 01 1.10507238E 00 5.27396706E-02-4.31805774E-05 3 1.81618292E-08-3.10535568E-12-3.63627536E 04 2.47216820E 01 4 CH2CH2OOH C 2H 5O 2 0G 300.000 5000.000 1424.000 1 2.22017926E 01 1.62952697E-03-7.08605692E-07 1.28457515E-10-8.28878007E-15 2 -6.59259328E 03-9.54936423E 01 3.03053118E 00 2.62755691E-02 5.57243185E-06 3 -1.81119524E-08 5.83055821E-12 1.58626801E 03 1.38035338E 01 4 CQC*O C 2H 4O 3 0G 300.000 5000.000 1395.000 1 1.12169757E 01 9.99190139E-03-3.26130785E-06 5.41021812E-10-3.42019844E-14 2 -3.23451100E 04-2.66785373E 01 5.06230108E 00 2.44801985E-02-1.65868851E-05 3 6.25246105E-09-9.92615848E-13-3.01929829E 04 6.37917529E 00 4 AC3H5O2 C 3H 5O 2 0G 300.000 5000.000 1376.000 1 1.27384979E 01 1.24649766E-02-4.38257003E-06 6.93101528E-10-4.07342401E-14 2 5.65443530E 03-3.92848732E 01 2.37272085E 00 3.32705338E-02-1.92420643E-05 3 5.04001673E-09-4.46003889E-13 9.62981810E 03 1.76550176E 01 4 AC3H5O2H C 3H 6O 2 0G 300.000 5000.000 1367.000 1 1.54155116E 01 1.26086472E-02-4.50120495E-06 7.19134228E-10-4.25642076E-14 2 -1.35273410E 04-5.35337818E 01 1.90103366E 00 4.00123599E-02-2.41504677E-05 3 6.40026983E-09-5.41023084E-13-8.40996915E 03 2.05417781E 01 4 HOC3H6O2 C 3H 7O 3 0G 300.000 5000.000 1391.00 1 1.49294832E 01 1.70345659E-02-5.87444179E-06 9.16878755E-10-5.33866280E-14 2 -3.18492951E 04-4.66820363E 01 1.86102984E 00 5.01482853E-02-3.97660123E-05 3 1.73532963E-08-3.16620701E-12-2.74426211E 04 2.27990765E 01 4 HOC2H4O2 C 2H 5O 3 0G 300.000 5000. 1395.00 1 9.22339915E 00 1.41346358E-02-4.75283025E-06 7.28795964E-10-4.18969629E-14 2 -2.35984031E 04-1.53847386E 01 3.58811609E 00 2.99414161E-02-2.35156549E-05 3 1.12635525E-08-2.28663686E-12-2.17409435E 04 1.42166729E 01 4 HOOC2H4O2 C 2H 5O 4 0G 300.000 5000.000 1421.00 1 1.69334148E 01 9.49340440E-03-3.12240592E-06 4.72654460E-10-2.69599849E-14 2 -1.98744072E 04-5.47493181E 01 1.35688049E 00 5.27872847E-02-4.90851455E-05 3 2.24216707E-08-3.97889907E-12-1.52835566E 04 2.62421438E 01 4 CCQCO. C 3H 7O 3 0G 300.000 5000.000 1398.000 1 1.56895404E 01 1.61714774E-02-5.52840641E-06 8.57820170E-10-4.97433222E-14 2 -2.31842982E 04-5.22224850E 01 9.38430255E-01 5.64540036E-02-4.92869368E-05 3 2.28643407E-08-4.28290695E-12-1.85668175E 04 2.50626364E 01 4 C2H5OOH C 2H 6O 2 0G 300.000 5000.000 1409.000 1 1.26555265E 01 1.13347220E-02-3.82256729E-06 5.88089793E-10-3.39112055E-14 2 -2.63839689E 04-4.04200223E 01 1.76442089E-01 4.29475359E-02-3.45056187E-05 3 1.40909800E-08-2.29710196E-12-2.23628129E 04 2.56156874E 01 4 CH2CHOH C 2H 4O 1 0G 300.000 5000.000 1000.000 1 0.68220305E 01 0.11059739E-01-0.39224574E-05 0.62778505E-09-0.37355714E-13 2 -0.18038769E 05-0.83716090E 01 0.30137746E 01 0.10203771E-01 0.25405637E-04 3 -0.42341002E-07 0.18267561E-10-0.16497347E 05 0.13873511E 02 4 LONG0027 C 6H 7 0 0G 300.000 5000.000 1408.000 1 1.61523090E 01 1.70423820E-02-5.83157896E-06 9.05828228E-10-5.25789865E-14 2 1.93412254E 04-6.33245145E 01-5.50200429E 00 7.47231119E-02-6.53321589E-05 3 2.88870056E-08-5.06675857E-12 2.60737337E 04 5.03239855E 01 4 CH3CY24PD C 6H 8 0 0G 300.000 5000.000 1399.000 1 1.54352848E 01 1.99801707E-02-6.80270423E-06 1.05349633E-09-6.10336727E-14 2 4.47456576E 03-6.36393642E 01-6.65320026E 00 7.44640477E-02-5.82864186E-05 3 2.31603543E-08-3.69017129E-12 1.17669311E 04 5.38162769E 01 4 LONG0028 C 6H 7 0 0G 300.000 5000.000 1401.000 1 1.55618159E 01 1.73311859E-02-5.89094688E-06 9.11427420E-10-5.27727410E-14 2 2.78190296E 04-6.26471227E 01-6.20110039E 00 7.33399091E-02-6.14518456E-05 3 2.60248753E-08-4.38998755E-12 3.47646271E 04 5.22408905E 01 4 FULVENYL C 6H 5 0 0G 300.000 5000.00 1400.00 1 1.49733861E 01 1.31279548E-02-4.43931566E-06 6.85048173E-10-3.96115173E-14 2 5.04662708E 04-5.79946013E 01-3.37529649E 00 5.92300122E-02-4.85540402E-05 3 1.97350757E-08-3.16400675E-12 5.63897813E 04 3.91932238E 01 4 LONG0006 C 9H 10 0 0G 300.000 5000.000 1387.000 1 2.13664963E+01 2.79354157E-02-9.69178877E-06 1.51917696E-09-8.87326037E-14 2 2.91092188E+03-9.00111261E+01-2.76029596E+00 8.32252436E-02-5.85472575E-05 3 2.14521211E-08-3.26642304E-12 1.14654148E+04 4.00613508E+01 4 LONG0007 C 9H 12 0 0G 300.000 5000.000 1392.000 1 2.29271900E+01 3.04089660E-02-1.03593788E-05 1.60461730E-09-9.29658996E-14 2 -1.21377244E+04-9.84493825E+01-4.41852383E+00 9.35245334E-02-6.54171104E-05 3 2.31989742E-08-3.30851599E-12-2.62791031E+03 4.85805625E+01 4 TETRALIN C 10H 12 0 0G 300.000 5000.000 1000.000 1 -2.66000000E 01 1.55177000E-01-1.17650000E-04 4.12900000E-08-5.38600000E-12 2 7.02000000E 03 1.59500000E 02-1.06562500E 01 1.22598000E-01-9.57030000E-05 3 3.66829000E-08-5.43328000E-12 1.52000000E 03 7.31000000E 01 4 MCH C 7H 14 0 0G 300.000 5000.000 1000.000 1 .16032840E+02 .41556630E-01 -.15253650E-04 .25682430E-08 -.16428480E-12 2 -.27297380E+05 -.68263160E+02 -.71397580E+01 .92018710E-01 -.48060270E-04 3 .60013180E-08 .18810120E-11 -.19687610E+05 .56093050E+02 4 C5H10-2 C 5H 10 0 0G 300.000 5000.000 1000.000 1 0.12541454E 02 0.23941070E-01-0.77445529E-05 0.11157970E-08-0.57968116E-13 2 -0.87175352E 04-0.39854187E 02 0.17627859E 01 0.38902789E-01 0.58380774E-05 3 -0.30547188E-07 0.13839465E-10-0.48109883E 04 0.19929169E 02 4 NC14 C 14H 30 0 0G 300.000 5000.000 1000.000 1 -7.22140000E 01 3.40400000E-01-2.56100000E-04 8.85858000E-08-1.13571000E-11 2 -1.45000000E 04 4.23500000E 02-1.50906400E 01 2.53440000E-01-2.96820000E-04 3 2.022290000E-07-5.45133000E-11-3.43627300E 04 1.09188000E 02 4 C12H25-1 C 12H 25 0 0G 300.000 5000.000 1000.000 1 .35019260E+02 .53984220E-01 -.16127550E-04 .23493900E-08 -.13611890E-12 2 -.27355100E+05 -.14688130E+03 -.26787130E+01 .14895950E+00 -.10370400E-03 3 .39153830E-07 -.66526310E-11 -.15850460E+05 .51700940E+02 4 C11H23-1 C 11H 23 0 0G 300.000 5000.000 1000.000 1 .32139710E+02 .49447680E-01 -.14722080E-04 .21404240E-08 -.12389920E-12 2 -.23496210E+05 -.13316730E+03 -.27353890E+01 .13891960E+00 -.10085770E-03 3 .41646150E-07 -.80947160E-11 -.12927470E+05 .50161380E+02 4 NC10H22 C 10H 22 0 0G 300.000 5000.000 1000.000 1 .27205420E+02 .51464570E-01 -.16526680E-04 .25350020E-08 -.15217720E-12 2 -.43438960E+05 -.11118250E+03 -.14967210E+01 .11687420E+00 -.62728980E-04 3 .10141350E-07 .17115220E-11 -.34315220E+05 .41774970E+02 4 C10H21-1 C 10H 21 0 0G 300.000 5000.000 1000.000 1 .29296300E+02 .44846750E-01 -.13278730E-04 .19224470E-08 -.11093520E-12 2 -.19652530E+05 -.11965710E+03 -.23457700E+01 .12576100E+00 -.90471970E-04 3 .36575910E-07 -.68510280E-11 -.10051870E+05 .46734840E+02 4 C10H21-2 10/17/ 3 C 10H 21 0 0G 300.000 5000.000 1000.000 1 .28721220E+02 .45296580E-01 -.13418860E-04 .19426220E-08 -.11204690E-12 2 -.19988690E+05 -.11627270E+03 -.17286950E+01 .12228120E+00 -.85891300E-04 3 .34097770E-07 -.63213860E-11 -.10670550E+05 .44153360E+02 4 C10H21-3 10/17/ 3 C 10H 21 0 0G 300.000 5000.000 1000.000 1 .28943340E+02 .44864090E-01 -.13227060E-04 .19083010E-08 -.10981150E-12 2 -.20028920E+05 -.11740300E+03 -.27808840E+01 .12973600E+00 -.10264370E-03 3 .49483180E-07 -.11413220E-10 -.10568150E+05 .48544090E+02 4 C10H21-4 10/17/ 3 C 10H 21 0 0G 300.000 5000.000 1000.000 1 .28943340E+02 .44864090E-01 -.13227060E-04 .19083010E-08 -.10981150E-12 2 -.20028920E+05 -.11740300E+03 -.27808840E+01 .12973600E+00 -.10264370E-03 3 .49483180E-07 -.11413220E-10 -.10568150E+05 .48544090E+02 4 C10H21-5 10/17/ 3 C 10H 21 0 0G 300.000 5000.000 1000.000 1 .28943340E+02 .44864090E-01 -.13227060E-04 .19083010E-08 -.10981150E-12 2 -.20028920E+05 -.11740300E+03 -.27808840E+01 .12973600E+00 -.10264370E-03 3 .49483180E-07 -.11413220E-10 -.10568150E+05 .48544090E+02 4 C9H19-1 C 9H 19 0 0G 300.000 5000.000 1000.000 1 .26350140E+02 .40427060E-01 -.11940920E-04 .17291710E-08 -.99980160E-13 2 -.15766820E+05 -.10557230E+03 -.22532990E+01 .11467750E+00 -.85099160E-04 3 .36530550E-07 -.73908150E-11 -.71446950E+04 .44564240E+02 4 C9H19-2 C 9H 19 0 0G 300.000 5000.000 1000.000 1 .25781620E+02 .40866200E-01 -.12075370E-04 .17481450E-08 -.10100340E-12 2 -.16106100E+05 -.10222580E+03 -.14762960E+01 .11010050E+00 -.77911560E-04 3 .31476080E-07 -.59573710E-11 -.77806690E+04 .41303760E+02 4 C8H17-1 C 8H 17 0 0G 300.000 5000.000 1000.000 1 .25288480E+02 .33110200E-01 -.93478690E-05 .13065480E-08 -.73533740E-13 2 -.12694740E+05 -.10198910E+03 -.13863260E+01 .99688280E-01 -.72788910E-04 3 .31308860E-07 -.65426840E-11 -.43687120E+04 .39032910E+02 4 C8H17-2 C 8H 17 G 0300.000 5000.000 1000.000 1 .24716340E+02 .33554030E-01 -.94842320E-05 .13259360E-08 -.74592180E-13 2 -.13031930E+05 -.98620700E+02 -.77238420E+00 .96226470E-01 -.68242240E-04 3 .28856030E-07 -.60192680E-11 -.49870070E+04 .36465220E+02 4 C8H17-3 C 8H 17 G 0300.000 5000.000 1000.000 1 .24866660E+02 .33254390E-01 -.93728500E-05 .13105740E-08 -.73894890E-13 2 -.13044310E+05 -.99353360E+02 -.18810190E+01 .10407900E+00 -.85964700E-04 3 .45222680E-07 -.11462290E-10 -.48786560E+04 .41094110E+02 4 C8H17-4 C 8H 17 G 0300.000 5000.000 1000.000 1 .24866660E+02 .33254390E-01 -.93728500E-05 .13105740E-08 -.73894890E-13 2 -.13044310E+05 -.99353360E+02 -.18810190E+01 .10407900E+00 -.85964700E-04 3 .45222680E-07 -.11462290E-10 -.48786560E+04 .41094110E+02 4 NC12 C 12H 26 0 0G 300.000 5000.000 1000.000 1 3.14726710E 01 6.64555640E-02-2.42587800E-05 4.04986490E-09-2.54579030E-13 2 -5.12309780E 04-1.31751160E 02-2.62181590E 00 1.47237710E-01-9.43970270E-05 3 3.07441270E-08-4.03602230E-12-4.00654250E+04 5.00994630E+01 4 C6H13-1 C 6H 13 0 0G 300.000 5000.000 1000.000 1 .19078440E+02 .24704730E-01 -.68061050E-05 .93225250E-09 -.51620490E-13 2 -.47811950E+04 -.72003310E+02 -.12446740E+01 .77428020E-01 -.61013310E-04 3 .29571560E-07 -.68864940E-11 .14564900E+04 .34926400E+02 4 C6H13-2 C 6H 13 0 0G 300.000 5000.000 1000.000 1 .18444630E+02 .25260010E-01 -.70089350E-05 .96764090E-09 -.54014550E-13 2 -.50940160E+04 -.68292130E+02 -.62879650E+00 .73959720E-01 -.56466670E-04 3 .27132250E-07 -.63718670E-11 .83788390E+03 .32349510E+02 4 C6H13-3 C 6H 13 0 0G 300.000 5000.000 1000.000 1 .18621920E+02 .24911520E-01 -.68681720E-05 .94495470E-09 -.52683770E-13 2 -.51170230E+04 -.69174640E+02 -.17466440E+01 .81867340E-01 -.74301960E-04 3 .43594630E-07 -.11843740E-10 .94735310E+03 .37018690E+02 4 C12H24 C 12H 24 0 0G 300.000 5000.000 1000.000 1 .32063800E+02 .56576170E-01 -.18040680E-04 .27483080E-08 -.16393020E-12 2 -.36986430E+05 -.13384180E+03 -.17615840E+01 .13383500E+00 -.73118670E-04 3 .12426730E-07 .17702180E-11 -.26237560E+05 .46386120E+02 4 C11H22 C 11H 22 0 0G 300.000 5000.000 1000.000 1 .29122610E+02 .52147170E-01 -.16697520E-04 .25542140E-08 -.15295230E-12 2 -.33102880E+05 -.11908990E+03 -.14863980E+01 .12147020E+00 -.64641430E-04 3 .92651420E-08 .23364720E-11 -.23349710E+05 .44139210E+02 4 C10H20 C 10H 20 0 0G 300.000 5000.000 1000.000 1 .26199660E+02 .47684110E-01 -.15333340E-04 .23549070E-08 -.14152730E-12 2 -.29225640E+05 -.10582300E+03 -.16272060E+01 .11200280E+00 -.63147710E-04 3 .13090480E-07 .42662070E-12 -.20417540E+05 .42266060E+02 4 C9H18-1 C 9H 18 0 0G 300.000 5000.000 1000.000 1 .23648630E+02 .42839660E-01 -.13811800E-04 .21258090E-08 -.12798080E-12 2 -.24007360E+05 -.92640250E+02 -.98635110E+00 .98924670E-01 -.52890090E-04 3 .77450910E-08 .18599660E-11 -.16191200E+05 .38616220E+02 4 C8H16-1 C 8H 16 0 0G 300.000 5000.000 1000.000 1 .20803300E+02 .38240210E-01 -.12368380E-04 .19078760E-08 -.11503140E-12 2 -.20161990E+05 -.79114880E+02 -.92999080E+00 .88093970E-01 -.48130270E-04 3 .83161420E-08 .11008620E-11 -.13280190E+05 .36600530E+02 4 C12H23 C 12H 23 0 0G 300.000 5000.000 1000.000 1 .34301890E+02 .49975280E-01 -.14868720E-04 .21610700E-08 -.12508930E-12 2 -.11766900E+05 -.14252590E+03 -.27017380E+01 .14515590E+00 -.10660080E-03 3 .44154040E-07 -.85649200E-11 -.58650670E+03 .51883840E+02 4 C11H21 C 11H 21 0 0G 300.000 5000.000 1000.000 1 .31466680E+02 .45359560E-01 -.13416550E-04 .19409520E-08 -.11194410E-12 2 -.79264960E+04 -.12906100E+03 -.23074670E+01 .13197600E+00 -.96186120E-04 3 .39071820E-07 -.73211320E-11 .22884230E+04 .48436280E+02 4 C10H19 C 10H 19 0 0G 300.000 5000.000 1000.000 1 .28620120E+02 .40763180E-01 -.11975210E-04 .17232280E-08 -.98983130E-13 2 -.40813280E+04 -.11553260E+03 -.19349210E+01 .11894250E+00 -.86114910E-04 3 .34326930E-07 -.61958250E-11 .51657450E+04 .45081030E+02 4 C9H17 C 9H 17 0 0G 300.000 5000.000 1000.000 1 .25806990E+02 .36108050E-01 -.10499760E-04 .14974240E-08 -.85354680E-13 2 -.24905470E+03 -.10218970E+03 -.19089980E+01 .10831020E+00 -.81804460E-04 3 .35325550E-07 -.71010030E-11 .80802030E+04 .43193690E+02 4 C8H15 C 8H 15 0 0G 300.000 5000.000 1000.000 1 .22862670E+02 .31689620E-01 -.91649680E-05 .13050500E-08 -.74478640E-13 2 .36351480E+04 -.88117840E+02 -.19240390E+01 .97982910E-01 -.78272100E-04 3 .37137330E-07 -.83038310E-11 .10998720E+05 .41476200E+02 4 C7H13 C 7H 13 0 0G 300.000 5000.000 1000.000 1 .19985790E+02 .27150170E-01 -.77585100E-05 .10954480E-08 -.62164060E-13 2 .74919790E+04 -.74423780E+02 -.15743600E+01 .85106910E-01 -.68578270E-04 3 .32770250E-07 -.73131740E-11 .13878520E+05 .38216080E+02 4 C5H11-2 C 5H 11 0 0G 300.000 5000.000 1000.000 1 .15325010E+02 .21099280E-01 -.57636360E-05 .78630660E-09 -.43513640E-13 2 -.11206820E+04 -.53267220E+02 -.57722980E+00 .62952210E-01 -.50910510E-04 3 .26651560E-07 -.66954170E-11 .37681090E+04 .30343270E+02 4 NC12H26 C 12H 26 0 0G 300.000 5000.000 1000.000 1 .32954850E+02 .60561010E-01 -.19354410E-04 .29570050E-08 -.17694130E-12 2 -.51153320E+05 -.13856090E+03 -.18607710E+01 .14028590E+00 -.76466910E-04 3 .13218920E-07 .17346830E-11 -.40110450E+05 .46869670E+02 4 C12H25-2 C 12H 25 0 0G 300.000 5000.000 1000.000 1 .34313730E+02 .54669630E-01 -.16408060E-04 .24031630E-08 -.14001760E-12 2 -.27639700E+05 -.14277180E+03 -.20441110E+01 .14537130E+00 -.98893830E-04 3 .36474680E-07 -.60605120E-11 -.16471210E+05 .49043380E+02 4 C12H25-3 C 12H 25 0 0G 300.000 5000.000 1000.000 1 .34639660E+02 .54051660E-01 -.16106970E-04 .23430320E-08 -.13566790E-12 2 -.27721420E+05 -.14448040E+03 -.30809830E+01 .15270580E+00 -.11532530E-03 3 .51511540E-07 -.11020450E-10 -.16370240E+05 .53371250E+02 4 C12H25-4 C 12H 25 0 0G 300.000 5000.000 1000.000 1 .34639660E+02 .54051660E-01 -.16106970E-04 .23430320E-08 -.13566790E-12 2 -.27721420E+05 -.14448040E+03 -.30809830E+01 .15270580E+00 -.11532530E-03 3 .51511540E-07 -.11020450E-10 -.16370240E+05 .53371250E+02 4 C12H25-5 C 12H 25 0 0G 300.000 5000.000 1000.000 1 .34639660E+02 .54051660E-01 -.16106970E-04 .23430320E-08 -.13566790E-12 2 -.27721420E+05 -.14448040E+03 -.30809830E+01 .15270580E+00 -.11532530E-03 3 .51511540E-07 -.11020450E-10 -.16370240E+05 .53371250E+02 4 C12H25-6 C 12H 25 0 0G 300.000 5000.000 1000.000 1 .34639660E+02 .54051660E-01 -.16106970E-04 .23430320E-08 -.13566790E-12 2 -.27721420E+05 -.14448040E+03 -.30809830E+01 .15270580E+00 -.11532530E-03 3 .51511540E-07 -.11020450E-10 -.16370240E+05 .53371250E+02 4 C6H9CH3 C 7H 12 0 0G 300.000 5000.000 1000.000 1 .15444060E+02 .34848380E-01 -.12363020E-04 .20339390E-08 -.12811470E-12 2 -.11741750E+05 -.61488680E+02 -.61362870E+01 .87037180E-01 -.52286060E-04 3 .10035770E-07 .11601190E-11 -.52062330E+04 .52366440E+02 4 C6H7CH3 C 7H 10 0 0G 300.000 5000.000 1000.000 1 .17105720E+02 .29683190E-01 -.10958440E-04 .18536450E-08 -.11901590E-12 2 .20596600E+04 -.69123180E+02 -.10849900E+01 .77529410E-01 -.51291650E-04 3 .11610980E-07 .77690580E-12 .71531520E+04 .25377760E+02 4 C9H19-5 C 9H 19 0 0G 300.000 5000.000 1000.000 1 .25781620E+02 .40866200E-01 -.12075370E-04 .17481450E-08 -.10100340E-12 2 -.16106100E+05 -.10222580E+03 -.14762960E+01 .11010050E+00 -.77911560E-04 3 .31476080E-07 -.59573710E-11 -.77806690E+04 .41303760E+02 4 !END ! !**************************************** !Beginning of Dean Butane ... !**************************************** ! ! !Dr. Eric C.D. Tan May 17, 2004 !This is the original thermo data obtained from prof. Dean !file name = combined052903.data !**************************************************************** ! !Dr. Eric C.D. Tan May 17, 2004 !This is the original thermo data obtained from prof. Dean !file name = combined052903.data !**************************************************************** ! !Includes therm for JP8 and Candle wax !THERMO ! 300.000 1500.000 5000.000 HE L 5/66HE 1 0 0 0G 300.000 5000.000 1000.000 01 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45686320E+02 9.08589239E-01 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45686320E+02 9.08589239E-01 4 NE L 5/66AR 1 0 0 0G 300.000 5000.000 1000.000 01 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45686320E+02 3.36455302E+00 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45686320E+02 3.36455302E+00 4 !AR L 5/66AR 1 0 0 0G 300.000 5000.000 1000.000 01 ! 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 !-7.45686320E+02 4.36103012E+00 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 ! 0.00000000E+00 0.00000000E+00-7.45686320E+02 4.36103012E+00 4 !N2 J 9/65N 2 0 0 0G 300.000 5000.000 1651.000 01 ! 2.99595345E+00 1.23650803E-03-3.70307884E-07 5.05346607E-11-2.62980289E-15 2 !-9.13275934E+02 5.68044098E+00 3.26021756E+00 5.91317648E-04 2.24046943E-07 3 !-1.95572836E-10 3.61873219E-14-9.99926012E+02 4.27471787E+00 4 !H J 6/74H 1 0 0 0G 300.000 5000.000 1000.000 01 ! 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 ! 2.54747466E+04-4.65341317E-01 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 ! 0.00000000E+00 0.00000000E+00 2.54747466E+04-4.65341317E-01 4 D J 6/74D 1 0 0 0G 300.000 5000.000 1000.000 01 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.59276908E+04 5.96561054E-01 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.59276908E+04 5.96561054E-01 4 N J 3/61N 1 0 0 0G 300.000 5000.000 1000.000 01 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 5.61038359E+04 4.17481976E+00 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 5.61038359E+04 4.17481976E+00 4 !O SandiO 1 0 0 0G 300.000 5000.000 1000.000 01 ! 2.55208594E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 ! 2.92139322E+04 4.81505647E+00 2.55208594E+00 0.00000000E+00 0.00000000E+00 3 ! 0.00000000E+00 0.00000000E+00 2.92139322E+04 4.81505647E+00 4 !C 12108C 1 0 0 0G 300.000 5000.000 1000.000 01 ! 2.50248202E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 ! 8.54642529E+04 4.74538974E+00 2.50248202E+00 0.00000000E+00 0.00000000E+00 3 ! 0.00000000E+00 0.00000000E+00 8.54642529E+04 4.74538974E+00 4 !H2 J 3/61H 2 0 0 0G 300.000 5000.000 1372.000 01 ! 2.80745773E+00 1.05566826E-03-2.75154709E-07 3.13764993E-11-1.31833174E-15 2 !-7.56604815E+02-3.36900751E-01 3.53708090E+00-3.54734803E-04 6.80901911E-07 3 !-2.27080447E-10 1.93615941E-14-1.04438982E+03-4.36829600E+00 4 !O2 J 9/65O 2 0 0 0G 300.000 5000.000 1390.000 01 ! 3.49867170E+00 9.83498177E-04-3.24499885E-07 4.89727407E-11-2.78161190E-15 2 !-1.16416228E+03 4.28650740E+00 2.93391267E+00 2.28611776E-03-1.48998394E-06 3 ! 5.33085321E-10-8.15901280E-14-9.64207826E+02 7.32914416E+00 4 !OH Bruscic 2001 O 1H 1 0 0G 300.000 5000.000 1368.000 01 ! 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1.13391388E+01 4 HONO NBS N 1H 1O 2 0G 300.000 5000.000 1377.000 11 6.11754440E+00 3.00786125E-03-1.06923899E-06 1.70344659E-10-1.00625645E-14 2 -1.17949476E+04-6.16262729E+00 2.75201621E+00 1.05958044E-02-7.62288673E-06 3 2.77356137E-09-4.14321193E-13-1.05902472E+04 1.20246760E+01 4 HNOOT MELIUS88 N 1H 1O 2 0G 300.000 5000.000 1685.000 11 6.22843305E+00 3.99232101E-03-1.71329583E-06 3.09055114E-10-1.99408742E-14 2 4.18350123E+04-7.01481486E+00 2.82368892E+00 9.26020229E-03-3.10307873E-06 3 -6.57987794E-10 3.64688969E-13 4.32139267E+04 1.21443729E+01 4 CYHNOO MELIUS88 N 1H 1O 2 0G 300.000 5000.000 1384.000 01 6.71751121E+00 2.96877696E-03-1.06682944E-06 1.71196925E-10-1.01642818E-14 2 3.02512914E+04-1.12387499E+01 1.73027443E+00 1.49257511E-02-1.19798254E-05 3 4.68129468E-09-7.22650413E-13 3.19322418E+04 1.54039457E+01 4 HNO2 SANDIA90 N 1H 1O 2 0G 300.000 5000.000 1376.000 01 5.09339328E+00 4.24305037E-03-1.48168241E-06 2.33264483E-10-1.36658904E-14 2 -9.35291520E+03-2.76704496E+00 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4.71730597E-03-1.55393179E-06 2.35033470E-10-1.33841881E-14 2 1.75826326E+04-5.89108966E+00 3.85361920E+00 1.12734627E-02-7.73836037E-06 3 2.91721764E-09-4.61931033E-13 1.84933181E+04 8.48920415E+00 4 NH2O2 M/JWB-PM3 N 1H 2O 2 0G 300.000 5000.000 1409.000 11 6.54827382E+00 4.71730597E-03-1.55393179E-06 2.35033470E-10-1.33841881E-14 2 1.75826326E+04-5.89108966E+00 3.85361920E+00 1.12734627E-02-7.73836037E-06 3 2.91721764E-09-4.61931033E-13 1.84933181E+04 8.48920415E+00 4 HONHO M/JB86 N 1H 2O 2 0G 300.000 5000.000 1417.000 11 8.97638228E+00 3.27117376E-03-1.19481897E-06 1.93809311E-10-1.15928641E-14 2 -1.47679332E+03-2.28341368E+01 1.84204436E-02 2.56008794E-02-2.20726968E-05 3 8.86187107E-09-1.35719939E-12 1.40014261E+03 2.46220493E+01 4 NH2OOH M/JWB96PM3 N 1H 3O 2 0G 300.000 5000.000 1402.000 21 7.53053070E+00 5.51551035E-03-1.72627307E-06 2.51620653E-10-1.39449297E-14 2 -3.26168751E+03-1.02834863E+01 4.26542664E+00 1.65441771E-02-1.59821282E-05 3 8.38072119E-09-1.71640256E-12-2.43522249E+03 6.09989815E+00 4 HOONO JB/PM396 N 1H 1O 3 0G 300.000 5000.000 1412.000 21 1.01618905E+01 1.71600740E-03-6.28968241E-07 1.02257759E-10-6.12634282E-15 2 -4.21911066E+03-2.45930895E+01 3.63556131E+00 1.99492314E-02-2.01009822E-05 3 9.46264498E-09-1.70368928E-12-2.30413427E+03 9.30989556E+00 4 HNO3 J 6/63H 1N 1O 3 0G 300.000 5000.000 1405.000 01 8.22989882E+00 3.93122554E-03-1.33434574E-06 2.06398905E-10-1.19535683E-14 2 -1.94845552E+04-1.75100472E+01 1.14787697E+00 2.34700257E-02-2.20965848E-05 3 1.01992868E-08-1.83402142E-12-1.73644844E+04 1.93961585E+01 4 NH2OOOH JB5-86 N 1H 3O 3 0G 300.000 5000.000 1389.000 31 1.06916340E+01 6.01610731E-03-2.13011822E-06 3.38467551E-10-1.99576522E-14 2 -4.18114218E+03-2.82643802E+01 1.82803244E+00 2.99770364E-02-2.77886166E-05 3 1.30592305E-08-2.43891290E-12-1.39989037E+03 1.82335170E+01 4 N2O J12/64N 2O 1 0 0G 300.000 5000.000 1662.000 01 5.34314133E+00 2.19536890E-03-9.76512782E-07 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3 8.76414874E-09-1.63696484E-12 1.03626513E+04 1.80013591E+01 4 HNNOA AVG M/H N 2H 1O 1 0G 300.000 5000.000 1389.000 01 6.24923393E+00 3.26982595E-03-1.14794127E-06 1.81382851E-10-1.06538434E-14 2 3.09735584E+04-7.09498027E+00 2.40143951E+00 1.26718685E-02-1.00828327E-05 3 4.10522712E-09-6.79228449E-13 3.22696143E+04 1.34257467E+01 4 HNNO MELIUS N 2H 1O 1 0G 300.000 5000.000 1389.000 01 6.24923393E+00 3.26982595E-03-1.14794127E-06 1.81382851E-10-1.06538434E-14 2 2.53822146E+04-7.09498027E+00 2.40143951E+00 1.26718685E-02-1.00828327E-05 3 4.10522712E-09-6.79228449E-13 2.66782706E+04 1.34257467E+01 4 DNNO PM1 + HNNO N 2D 1O 1 0G 300.000 5000.000 1377.000 01 6.94854858E+00 2.75837868E-03-9.90852552E-07 1.58961943E-10-9.43600061E-15 2 2.46983352E+04-1.06923480E+01 2.78031994E+00 1.23770782E-02-9.37051058E-06 3 3.44224507E-09-4.99073332E-13 2.61455611E+04 1.17162902E+01 4 NNOH M(EST)/HOCN N 2H 1O 1 0G 300.000 5000.000 1683.000 11 5.28138251E+00 3.47590292E-03-1.18803094E-06 1.85303839E-10-1.08113776E-14 2 2.72698889E+04-7.08512308E-01 3.20556211E+00 8.12905197E-03-4.85966893E-06 3 1.38493704E-09-1.44715295E-13 2.79632777E+04 1.04423894E+01 4 NH2NO M/JB189 N 2H 2O 1 0G 300.000 5000.000 1376.000 11 8.29632320E+00 4.68893436E-03-1.88894630E-06 3.25848078E-10-2.03763029E-14 2 5.26778513E+03-2.04554258E+01 1.30310075E+00 1.94969033E-02-1.34642225E-05 3 4.29560213E-09-5.24866261E-13 7.86417429E+03 1.76712409E+01 4 HNNOHC M/88 AVG N 2H 2O 1 0G 300.000 5000.000 1379.000 11 8.30506644E+00 4.64192996E-03-1.86032978E-06 3.19785042E-10-1.99499962E-14 2 7.05503352E+03-1.96588642E+01 7.53566688E-01 2.15141135E-02-1.61254106E-05 3 5.78058001E-09-8.24206873E-13 9.76078844E+03 2.11822785E+01 4 HNNOHT M/88 AVG N 2H 2O 1 0G 300.000 5000.000 1418.000 11 9.28767221E+00 2.99510324E-03-1.09692227E-06 1.78244324E-10-1.06748790E-14 2 5.77442539E+03-2.49880430E+01-8.58621822E-01 3.01146054E-02-2.86621313E-05 3 1.27677753E-08-2.18194519E-12 8.85965996E+03 2.81306992E+01 4 HNNOHA 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1.79916568E-02-1.37740396E-05 3 5.87277152E-09-1.04140759E-12 1.56384603E+04 1.30177571E+01 4 H2NNHO M93/JWB96PM3 N 2H 3O 1 0G 300.000 5000.000 1405.000 11 6.76839969E+00 6.93278551E-03-2.28605866E-06 3.45978141E-10-1.97094463E-14 2 1.42869506E+04-9.16405706E+00 2.56091923E+00 1.79916568E-02-1.37740396E-05 3 5.87277152E-09-1.04140759E-12 1.56384603E+04 1.30177571E+01 4 NH2NJOH JB/MOP/96 N 2H 3O 1 0G 300.000 5000.000 1423.000 11 7.33055515E+00 6.22883424E-03-1.99558898E-06 2.95861833E-10-1.66036902E-14 2 7.38930462E+03-1.15574445E+01 2.42030143E+00 2.06409927E-02-1.82721392E-05 3 8.56058064E-09-1.59059415E-12 8.78302582E+03 1.37397739E+01 4 N2H3OH M/JB/96-PM3 N 2H 4O 1 0G 300.000 5000.000 1419.000 21 8.41609645E+00 7.27634993E-03-2.32263555E-06 3.43319782E-10-1.92210607E-14 2 -4.21052679E+03-1.72343823E+01 1.00987318E+00 3.11243495E-02-3.14079666E-05 3 1.60277863E-08-3.14751538E-12-2.30783340E+03 2.01928039E+01 4 ONNHO MEL/JBHCO3N 2H 1O 2 0G 300.000 5000.000 1399.000 11 9.49554584E+00 2.77702334E-03-1.01156039E-06 1.63787615E-10-9.78484408E-15 2 1.84157685E+04-2.18250042E+01 3.71305020E+00 1.53995019E-02-1.06259110E-05 3 3.01287208E-09-2.34363163E-13 2.04404660E+04 9.42502587E+00 4 N.*NOOH MEL/JBHCO3N 2H 1O 2 0G 300.000 5000.000 1399.000 11 9.49554584E+00 2.77702334E-03-1.01156039E-06 1.63787615E-10-9.78484408E-15 2 1.69059547E+04-2.18250042E+01 3.71305020E+00 1.53995019E-02-1.06259110E-05 3 3.01287208E-09-2.34363163E-13 1.89306522E+04 9.42502587E+00 4 HNOHNO ME/JBHCOHCN 2H 2O 2 0G 300.000 5000.000 1383.000 11 9.73706010E+00 5.02524442E-03-1.76823932E-06 2.80097884E-10-1.64892180E-14 2 9.36628169E+03-2.39581200E+01 1.90503573E+00 2.35024129E-02-1.81555267E-05 3 6.76679314E-09-9.83326199E-13 1.20225695E+04 1.79657523E+01 4 NH2NO2 M/JB96PM3 N 2H 2O 2 0G 300.000 5000.000 1387.000 11 8.81477816E+00 5.43771674E-03-1.82922030E-06 2.81195697E-10-1.62135683E-14 2 -2.65682892E+03-1.89708066E+01 3.23962569E+00 1.87039154E-02-1.38471402E-05 3 5.21220152E-09-7.89699943E-13-7.63827212E+02 1.08543873E+01 4 HNNOHO M/JB96PM3 N 2H 2O 2 0G 300.000 5000.000 1409.000 11 9.10468096E+00 4.95693781E-03-1.60969716E-06 2.41200587E-10-1.36486771E-14 2 7.99153081E+02-2.02905917E+01 2.18932777E+00 2.61876732E-02-2.65819175E-05 3 1.33714172E-08-2.58906614E-12 2.67577770E+03 1.50192136E+01 4 HNNOHOC M/JB96PM3 N 2H 2O 2 0G 300.000 5000.000 1409.000 11 9.10468096E+00 4.95693781E-03-1.60969716E-06 2.41200587E-10-1.36486771E-14 2 1.19673738E+03-2.02905917E+01 2.18932777E+00 2.61876732E-02-2.65819175E-05 3 1.33714172E-08-2.58906614E-12 3.07336200E+03 1.50192136E+01 4 HONNOH ME/HOC@COHN 2H 2O 2 0G 300.000 5000.000 1436.000 21 6.69434422E+00 9.44707425E-03-4.59710551E-06 8.94465179E-10-5.87437836E-14 2 3.83521146E+02-6.96437372E+00 1.51056214E+00 2.77673902E-02-2.73461120E-05 3 1.29617196E-08-2.39791598E-12 1.42134762E+03 1.84426962E+01 4 HNONOH ME/JB AVG N 2H 2O 2 0G 300.000 5000.000 1368.000 11 9.41177526E+00 5.46797489E-03-1.95603659E-06 3.12931364E-10-1.85393397E-14 2 -6.89486186E+02-2.25617378E+01 3.17719536E+00 1.84661949E-02-1.17718783E-05 3 3.45887736E-09-3.70109512E-13 1.63579013E+03 1.14852208E+01 4 NH2ON.H JB/96-PM3 H 3O 1N 2 0G 300.000 5000.000 1396.000 21 8.43788873E+00 5.34940740E-03-1.79907711E-06 2.76268515E-10-1.59097710E-14 2 5.84819579E+03-1.74821055E+01 1.81994863E+00 2.60282017E-02-2.70353779E-05 3 1.41325940E-08-2.85051308E-12 7.67232023E+03 1.62894573E+01 4 NH2ONH2 JB/96-PM3 H 4O 1N 2 0G 300.000 5000.000 1417.000 21 8.32236851E+00 7.44468543E-03-2.39889180E-06 3.57007637E-10-2.00869458E-14 2 -1.09438195E+04-1.70821537E+01 1.82437551E+00 2.79606757E-02-2.71597876E-05 3 1.36497866E-08-2.66825152E-12-9.22218504E+03 1.59189418E+01 4 N2H3OOH JB86 N 2H 4O 2 0G 300.000 5000.000 1383.000 31 1.13352837E+01 8.05055201E-03-2.83935554E-06 4.49961333E-10-2.64817364E-14 2 -2.73639077E+03-3.06082956E+01 2.71159581E+00 2.94733329E-02-2.41040701E-05 3 1.04208999E-08-1.85977704E-12 1.88522098E+02 1.53518424E+01 4 N2H3OO JB86 N 2H 3O 2 0G 300.000 5000.000 1403.000 21 1.16560148E+01 5.39172453E-03-1.86240705E-06 2.91115368E-10-1.69717669E-14 2 1.61420893E+04-3.22695957E+01 2.40028831E+00 3.28233073E-02-3.34159399E-05 3 1.66890498E-08-3.21888471E-12 1.87736764E+04 1.53757134E+01 4 HNNHOH B686 N 2H 3O 1 0G 300.000 5000.000 1382.000 21 8.95120902E+00 5.44083047E-03-1.94835627E-06 3.11930650E-10-1.84898238E-14 2 7.94866882E+03-2.03117208E+01 6.56010368E-01 2.54744121E-02-2.05926724E-05 3 8.27216781E-09-1.33249296E-12 1.07508002E+04 2.39860316E+01 4 N3H5 ESTIMATE N 3H 5 0 0G 300.000 5000.000 1375.000 21 1.09105189E+01 8.95785026E-03-3.18097642E-06 5.06404146E-10-2.98986360E-14 2 1.46855696E+04-3.37442066E+01 1.72586306E+00 2.93718329E-02-2.06630725E-05 3 7.46412063E-09-1.12653203E-12 1.80261929E+04 1.60337076E+01 4 NH2N.NH2 ESTIMATE N 3H 4 0 0G 300.000 5000.000 1375.000 21 8.88267119E+00 8.02593820E-03-2.83439531E-06 4.49559950E-10-2.64736049E-14 2 2.36692196E+04-1.92325374E+01 2.05964112E+00 2.25939001E-02-1.47624742E-05 3 5.00085552E-09-7.22527894E-13 2.62328209E+04 1.79950600E+01 4 NH2NHN.H ESTIMATE N 3H 4 0 0G 300.000 5000.000 1375.000 21 8.88267119E+00 8.02593820E-03-2.83439531E-06 4.49559950E-10-2.64736049E-14 2 2.81986610E+04-1.92325374E+01 2.05964112E+00 2.25939001E-02-1.47624742E-05 3 5.00085552E-09-7.22527894E-13 3.07622623E+04 1.79950600E+01 4 HNNN MEL/JWB93 H 1N 3 0 0G 300.000 5000.000 1368.000 11 5.89785502E+00 3.16788880E-03-1.11800873E-06 1.77242806E-10-1.04338948E-14 2 3.26651109E+04-6.18170929E+00 3.78605347E+00 6.88666303E-03-3.21484586E-06 3 5.17171779E-10 1.19418510E-14 3.35446624E+04 5.63290792E+00 4 NH2N*NH MOPAC/JWB N 3H 3 0 0G 300.000 5000.000 1387.000 11 6.69002970E+00 7.47314752E-03-2.57645360E-06 4.02077701E-10-2.34100070E-14 2 2.41665873E+04-1.12237240E+01 1.77934213E+00 1.84512489E-02-1.22068381E-05 3 4.40169344E-09-6.88479445E-13 2.59657724E+04 1.53992812E+01 4 HNNNH2 MOPAC/JWB N 3H 3 0 0G 300.000 5000.000 1387.000 11 6.69002970E+00 7.47314752E-03-2.57645360E-06 4.02077701E-10-2.34100070E-14 2 2.41665873E+04-1.12237240E+01 1.77934213E+00 1.84512489E-02-1.22068381E-05 3 4.40169344E-09-6.88479445E-13 2.59657724E+04 1.53992812E+01 4 CL 4218CL 1 0 0 0G 300.000 5000.000 1000.000 01 2.68436307E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 1.37894912E+04 4.56466599E+00 2.68436307E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.37894912E+04 4.56466599E+00 4 CL2 BSN 0 0 0CL 2G 300.000 5000.000 1391.000 01 4.31613441E+00 3.29630278E-04-1.24956972E-07 1.90485137E-11-9.70616666E-16 2 -1.37233301E+03 1.98273220E+00 3.54240418E+00 2.55025281E-03-2.57854683E-06 3 1.24377075E-09-2.31753003E-13-1.14908578E+03 5.98488790E+00 4 HCL SWS CL 1H 1 0 0G 300.000 5000.000 1365.000 01 2.80160164E+00 1.29359256E-03-3.70213891E-07 4.77234871E-11-2.33490233E-15 2 -1.18979691E+04 6.32807504E+00 3.42080348E+00-2.58287786E-05 6.66997745E-07 3 -3.10137953E-10 4.35774051E-14-1.21262291E+04 2.95637955E+00 4 CLO BSN 0 0O 1CL 1G 300.000 5000.000 1391.000 01 4.08526500E+00 5.54283983E-04-2.13808988E-07 3.48873798E-11-1.99155040E-15 2 1.08359394E+04 3.57274330E+00 3.04604745E+00 3.46410920E-03-3.36179628E-06 3 1.58025941E-09-2.89568741E-13 1.11437319E+04 8.97503347E+00 4 HOCL BSN76 0H 1O 1CL 1G 300.000 5000.000 1420.000 01 4.46313456E+00 1.91689407E-03-6.09640124E-07 8.98636370E-11-5.02045310E-15 2 -1.04766608E+04 2.22348528E+00 3.09827287E+00 6.18626939E-03-5.71962362E-06 3 2.81375010E-09-5.44425671E-13-1.01117098E+04 9.16811690E+00 4 NCL clyne/njit N 1CL 1 0 0G 300.000 5000.000 1393.000 01 4.06537646E+00 4.75271412E-04-1.79353171E-07 2.87510199E-11-1.62300098E-15 2 3.11330712E+04 3.25927091E+00 3.10974268E+00 3.13037051E-03-3.03578581E-06 3 1.42601676E-09-2.61100236E-13 3.14188179E+04 8.23543466E+00 4 NCLT clyne/njit N 1CL 1 0 0G 300.000 5000.000 1393.000 01 4.06537646E+00 4.75271412E-04-1.79353171E-07 2.87510199E-11-1.62300098E-15 2 3.11330712E+04 3.25927091E+00 3.10974268E+00 3.13037051E-03-3.03578581E-06 3 1.42601676E-09-2.61100236E-13 3.14188179E+04 8.23543466E+00 4 NCL1 coombenjit N 1CL 1 0 0G 300.000 5000.000 1393.000 01 4.06537646E+00 4.75271412E-04-1.79353171E-07 2.87510199E-11-1.62300098E-15 2 3.89388085E+04 2.25272838E+00 3.10974268E+00 3.13037051E-03-3.03578581E-06 3 1.42601676E-09-2.61100236E-13 3.92245552E+04 7.22889213E+00 4 NHCL COOMBE/NJIT 0N 1H 1CL 1G 300.000 5000.000 1417.000 01 4.48776528E+00 1.95036922E-03-6.32715985E-07 9.46286704E-11-5.34384154E-15 2 2.66267264E+04 2.45503097E+00 2.86190216E+00 6.92320404E-03-6.49109294E-06 3 3.18620813E-09-6.13969243E-13 2.70735418E+04 1.07691597E+01 4 NH2CL JB/LAY95 N 1H 2 0CL 1G 300.000 5000.000 1418.000 01 4.38499596E+00 4.41868371E-03-1.44779628E-06 2.18114554E-10-1.23839835E-14 2 1.38877355E+03 1.95109339E+00 2.14974900E+00 9.83489228E-03-6.51861803E-06 3 2.39193143E-09-3.70258796E-13 2.14557080E+03 1.38858370E+01 4 NOCL J 86 N 1 0CL 1O 1G 300.000 5000.000 1366.000 01 5.90943599E+00 9.96074212E-04-3.60135499E-07 5.80249131E-11-3.45463513E-15 2 4.18316088E+03-2.97806774E+00 4.29192782E+00 4.50636038E-03-3.09199515E-06 3 9.38130347E-10-9.63146420E-14 4.76097740E+03 5.78654041E+00 4 NO2CL J 86 N 1CL 1 0O 2G 300.000 5000.000 1396.000 01 7.32571589E+00 2.34776130E-03-8.27930442E-07 1.31210491E-10-7.72294062E-15 2 -1.24440743E+03-1.05939722E+01 2.71135195E+00 1.61611786E-02-1.69666932E-05 3 8.66629663E-09-1.70280712E-12 6.63605625E+01 1.31319348E+01 4 C*C*C*C. 09/30/98 05:15C 4H 3 0 0G 300.000 5000.000 1395.000 01 9.96614271E+00 7.50519836E-03-2.55434465E-06 3.95315887E-10-2.28868152E-14 2 5.41314893E+04-2.62716532E+01 2.57559288E+00 2.67239086E-02-2.21964091E-05 3 9.67994340E-09-1.71307058E-12 5.65109539E+04 1.27411152E+01 4 C@CCCC. 4/13/98 THERC 5H 7 0 0G 300.000 5000.000 1375.000 31 1.36183288E+01 1.63716928E-02-5.72563386E-06 9.02212830E-10-5.28868215E-14 2 3.54660598E+04-4.45587337E+01 3.19528089E+00 3.56067471E-02-1.77079645E-05 3 3.57110884E-09-1.39305076E-13 3.96977196E+04 1.34037655E+01 4 C.*CC2*C 4/29/97 THERMC 5H 7 0 0G 300.000 5000.000 1401.000 11 1.40384995E+01 1.57353680E-02-5.25653600E-06 8.02999577E-10-4.60583029E-14 2 3.24590361E+04-4.90594931E+01-3.77403865E-01 5.64829402E-02-5.05881139E-05 3 2.38908353E-08-4.50628470E-12 3.67960397E+04 2.59168639E+01 4 C*CC2*C. C*CC2*C. C 5H 7 0 0G 300.000 5000.000 1401.000 11 1.40384995E+01 1.57353680E-02-5.25653600E-06 8.02999577E-10-4.60583029E-14 2 3.24590361E+04-4.90594931E+01-3.77403865E-01 5.64829402E-02-5.05881139E-05 3 2.38908353E-08-4.50628470E-12 3.67960397E+04 2.59168639E+01 4 C*CJC2*C 4/29/97 THERMC 5H 7 0 0G 300.000 5000.000 1394.000 11 1.39720524E+01 1.63767102E-02-5.60400417E-06 8.70141257E-10-5.04824519E-14 2 2.74412362E+04-4.93946688E+01 1.32106330E+00 4.83735581E-02-3.79051356E-05 3 1.61886283E-08-2.87866859E-12 3.16707466E+04 1.78163841E+01 4 C*C.C2*C 4/29/97 DUP C 5H 7 0 0G 300.000 5000.000 1394.000 11 1.39720524E+01 1.63767102E-02-5.60400417E-06 8.70141257E-10-5.04824519E-14 2 2.74412362E+04-4.93946688E+01 1.32106330E+00 4.83735581E-02-3.79051356E-05 3 1.61886283E-08-2.87866859E-12 3.16707466E+04 1.78163841E+01 4 C*CC2.*C 4/29/97 THERMC 5H 7 0 0G 300.000 5000.000 1403.000 01 1.45448221E+01 1.57722250E-02-5.27835926E-06 8.07338830E-10-4.63482669E-14 2 2.06061803E+04-5.31424822E+01-2.22515666E+00 6.45795940E-02-6.07938403E-05 3 2.94947630E-08-5.63532535E-12 2.54914626E+04 3.35461401E+01 4 CC*CC2. 4/29/97 THERMC 5H 9 0 0G 300.000 5000.000 1391.000 21 1.44097619E+01 2.05368238E-02-7.01029136E-06 1.08682831E-09-6.29905018E-14 2 5.08792724E+03-5.21221602E+01 1.98024477E-01 5.27870144E-02-3.52636898E-05 3 1.25416751E-08-1.88227749E-12 1.01773154E+04 2.46388562E+01 4 CC.*CC2 4/29/97 THERMC 5H 9 0 0G 300.000 5000.000 1382.000 31 1.33631115E+01 2.09850479E-02-7.16079967E-06 1.10984903E-09-6.43103654E-14 2 1.60047255E+04-4.47948368E+01 2.96339705E+00 3.94792093E-02-1.74101596E-05 3 2.42235730E-09 1.96645792E-13 2.02736338E+04 1.32445264E+01 4 C2C*C.C DUP C 5H 9 0 0G 300.000 5000.000 1382.000 31 1.33631115E+01 2.09850479E-02-7.16079967E-06 1.10984903E-09-6.43103654E-14 2 1.60047255E+04-4.47948368E+01 2.96339705E+00 3.94792093E-02-1.74101596E-05 3 2.42235730E-09 1.96645792E-13 2.02736338E+04 1.32445264E+01 4 C.*CCC2 4/29/97 THERMC 5H 9 0 0G 300.000 5000.000 1393.000 31 1.45297209E+01 2.01373011E-02-6.89975129E-06 1.07234966E-09-6.22577646E-14 2 1.89460790E+04-5.16913061E+01-9.02648510E-01 5.71908684E-02-4.18648412E-05 3 1.64992444E-08-2.72738012E-12 2.42710600E+04 3.09442096E+01 4 C2CC*C. DUP C 5H 9 0 0G 300.000 5000.000 1393.000 31 1.45297209E+01 2.01373011E-02-6.89975129E-06 1.07234966E-09-6.22577646E-14 2 1.89460790E+04-5.16913061E+01-9.02648510E-01 5.71908684E-02-4.18648412E-05 3 1.64992444E-08-2.72738012E-12 2.42710600E+04 3.09442096E+01 4 C*C.CC2 4/29/97 THERMC 5H 9 0 0G 300.000 5000.000 1391.000 31 1.40101684E+01 2.05911431E-02-7.05882504E-06 1.09742176E-09-6.37267605E-14 2 1.79998369E+04-4.85684257E+01-3.37932097E-02 5.21671121E-02-3.44676940E-05 3 1.21244688E-08-1.80630730E-12 2.30709616E+04 2.74110800E+01 4 C*CC.C2 4/29/97 THERMC 5H 9 0 0G 300.000 5000.000 1390.000 21 1.37488172E+01 2.12968670E-02-7.31667112E-06 1.13927711E-09-6.62322897E-14 2 4.95421087E+03-5.11769915E+01-1.34298397E+00 5.40081872E-02-3.39256108E-05 3 1.08403561E-08-1.41074702E-12 1.04932841E+04 3.08504001E+01 4 CC*CC2 4/29/97 THERMC 5H 10 0 0G 300.000 5000.000 1385.000 31 1.39945439E+01 2.29446584E-02-7.82594154E-06 1.21260230E-09-7.02518456E-14 2 -1.31576941E+04-5.04083830E+01 1.20274127E+00 4.78872112E-02-2.48144776E-05 3 5.73514410E-09-3.91266779E-13-8.15212336E+03 2.01592584E+01 4 V*V*V. 09/30/98 adj hC 6H 3 0 0G 300.000 5000.000 1378.000 21 1.63021381E+01 7.02389992E-03-2.53796474E-06 4.08751666E-10-2.43291595E-14 2 7.81718461E+04-5.84270074E+01 3.80534461E+00 3.64005069E-02-2.85694114E-05 3 1.07472076E-08-1.57899126E-12 8.24316529E+04 8.52307403E+00 4 C@CC@CV. 09/22/98 01:12C 6H 3 0 0G 300.000 5000.000 1387.000 21 1.59250411E+01 7.28043871E-03-2.61098935E-06 4.18429620E-10-2.48195716E-14 2 8.32529110E+04-5.57865857E+01 2.26202376E+00 4.40919948E-02-4.15854709E-05 3 1.94351312E-08-3.58032052E-12 8.75153364E+04 1.58710222E+01 4 LONG0044 09/29/98 08:54C 6H 3 0 0G 300.000 5000.000 1396.000 21 1.73559892E+01 6.02616983E-03-2.16955685E-06 3.48599175E-10-2.07157342E-14 2 8.51898872E+04-6.62692517E+01 7.69849248E-01 5.48381793E-02-5.79273687E-05 3 2.91664067E-08-5.62745759E-12 8.99287895E+04 1.92163927E+01 4 C@CV.C@C AMD HIGHER H C 6H 3 0 0G 300.000 5000.000 1393.000 21 1.72993986E+01 6.17370094E-03-2.24441333E-06 3.62937018E-10-2.16629303E-14 2 8.00334383E+04-6.42189434E+01 2.39509372E+00 4.39253426E-02-3.87051809E-05 3 1.62750971E-08-2.66278849E-12 8.48111941E+04 1.46127050E+01 4 BENZYNE MOP PM3 498C 6H 4 0 0G 300.000 5000.000 1397.000 01 1.24479856E+01 1.31962998E-02-4.55492985E-06 7.11748458E-10-4.14879926E-14 2 4.80519176E+04-4.48910066E+01-3.14159562E+00 5.22230280E-02-4.22917186E-05 3 1.74101107E-08-2.87963650E-12 5.31634633E+04 3.78404231E+01 4 C@CC*C*V AMD SIG=2 C 6H 4 0 0G 300.000 5000.000 1394.000 11 1.61475307E+01 9.72495891E-03-3.37909999E-06 5.30495572E-10-3.10277572E-14 2 6.18957669E+04-5.92523011E+01 1.50126848E+00 4.88965317E-02-4.42614285E-05 3 2.01033811E-08-3.61544995E-12 6.64638810E+04 1.76128532E+01 4 LONG0031 AMD SIG=4 C 6H 4 0 0G 300.000 5000.000 1395.000 01 1.52046197E+01 1.06221442E-02-3.61562115E-06 5.59785411E-10-3.24234221E-14 2 6.87838787E+04-5.41041578E+01 3.15697474E+00 4.21173742E-02-3.57751700E-05 3 1.56681568E-08-2.75746881E-12 7.26216376E+04 9.39277209E+00 4 C@CC(*)E 09/29/98AMDSIGC 6H 4 0 0G 300.000 5000.000 1397.000 21 1.75801836E+01 8.23769692E-03-2.90109643E-06 4.59603954E-10-2.70528806E-14 2 5.50647626E+04-7.00341808E+01-7.50879190E-02 5.80680863E-02-5.75175229E-05 3 2.76741983E-08-5.16408117E-12 6.02929258E+04 2.16674970E+01 4 LONG0045 09/22/98 10:26C 6H 5 0 0G 300.000 5000.000 1373.000 31 1.56049543E+01 1.23314932E-02-4.37768059E-06 6.96768443E-10-4.11315049E-14 2 6.06592901E+04-5.47254593E+01 3.84858294E+00 3.78640695E-02-2.57227329E-05 3 9.02482609E-09-1.34034701E-12 6.50193205E+04 9.24342428E+00 4 AC.*C*C AMD SIG=1 C 6H 5 0 0G 300.000 5000.000 1398.000 11 1.58543938E+01 1.23244308E-02-4.22832741E-06 6.57814470E-10-3.82198348E-14 2 5.83506954E+04-5.61622898E+01 9.20281219E-01 5.48956940E-02-5.19886434E-05 3 2.51674334E-08-4.80410421E-12 6.28107612E+04 2.13881856E+01 4 AC*C*C. AMD SIG=1 C 6H 5 0 0G 300.000 5000.000 1398.000 11 1.58543938E+01 1.23244308E-02-4.22832741E-06 6.57814470E-10-3.82198348E-14 2 5.83506954E+04-5.61622898E+01 9.20281219E-01 5.48956940E-02-5.19886434E-05 3 2.51674334E-08-4.80410421E-12 6.28107612E+04 2.13881856E+01 4 C*C*C.CE AMD SIG=1 C 6H 5 0 0G 300.000 5000.000 1373.000 21 1.47643748E+01 1.33589450E-02-4.70557670E-06 7.45034181E-10-4.38189808E-14 2 6.09202444E+04-4.86482589E+01 5.27296676E+00 3.20231580E-02-1.82320604E-05 3 5.12685587E-09-6.00014725E-13 6.46796724E+04 3.76211876E+00 4 V(E)C*C. 09/28/98 04:11C 6H 5 0 0G 300.000 5000.000 1399.000 21 1.75267565E+01 1.05640126E-02-3.64187078E-06 5.68602844E-10-3.31247573E-14 2 6.38857466E+04-6.73489206E+01-7.83783059E-01 6.54597472E-02-6.76292762E-05 3 3.42550696E-08-6.68735138E-12 6.90549524E+04 2.67292542E+01 4 V(E)C.*C 09/28/98 LOW HC 6H 5 0 0G 300.000 5000.000 1397.000 21 1.70110201E+01 1.10127632E-02-3.79881956E-06 5.93308289E-10-3.45711014E-14 2 5.91766932E+04-6.42512925E+01 7.97677567E-02 6.04362148E-02-6.02173710E-05 3 2.98673040E-08-5.76320503E-12 6.40968830E+04 2.32257334E+01 4 VC(E)*C. 09/29/98AMDSIGC 6H 5 0 0G 300.000 5000.000 1399.000 21 1.75267565E+01 1.05640126E-02-3.64187078E-06 5.68602844E-10-3.31247573E-14 2 6.38857466E+04-6.80434350E+01-7.83783059E-01 6.54597472E-02-6.76292762E-05 3 3.42550696E-08-6.68735138E-12 6.90549524E+04 2.60347399E+01 4 LONG0046 09/30/98 SIG =C 6H 5 0 0G 300.000 5000.000 1398.000 11 1.59886291E+01 1.21980077E-02-4.18179169E-06 6.50231427E-10-3.77649293E-14 2 7.05197907E+04-5.74886065E+01 9.06754147E-01 5.58152956E-02-5.37717317E-05 3 2.63735574E-08-5.07986833E-12 7.49665856E+04 2.06160326E+01 4 C@CC.*CV 100598SIG=2MODC 6H 5 0 0G 300.000 5000.000 1385.000 21 1.71484015E+01 1.13808059E-02-4.03499136E-06 6.41702860E-10-3.78603416E-14 2 5.85608173E+04-6.50652124E+01 2.33221706E+00 4.93238820E-02-4.25994622E-05 3 1.89650832E-08-3.41863375E-12 6.34317189E+04 1.34266362E+01 4 C@CC*C.V 100598SIG=2MODC 6H 5 0 0G 300.000 5000.000 1388.000 21 1.73205996E+01 1.12241163E-02-3.97951755E-06 6.32967838E-10-3.73509814E-14 2 5.83465317E+04-6.60263840E+01 1.46729379E-01 5.62059599E-02-5.02974983E-05 3 2.26953645E-08-4.08497088E-12 6.38383896E+04 2.45097063E+01 4 CYC5V. AMD HBI C 6H 5 0 0G 300.000 5000.000 1400.000 01 1.45382850E+01 1.39355385E-02-4.80149757E-06 7.49276142E-10-4.36317347E-14 2 4.91372237E+04-5.34794931E+01-3.58405352E+00 6.30836344E-02-5.68779707E-05 3 2.60311821E-08-4.72627300E-12 5.47321091E+04 4.14031521E+01 4 CYC52.V AMD HBI C 6H 5 0 0G 300.000 5000.000 1398.000 01 1.40364170E+01 1.43689534E-02-4.95248287E-06 7.72989405E-10-4.50180981E-14 2 4.81833622E+04-5.04582379E+01-2.72715749E+00 5.81284460E-02-4.95837612E-05 3 2.17200027E-08-3.81950910E-12 5.35333192E+04 3.79217597E+01 4 CYC53.V AMD HBI C 6H 5 0 0G 300.000 5000.000 1398.000 01 1.40364170E+01 1.43689534E-02-4.95248287E-06 7.72989405E-10-4.50180981E-14 2 4.81833622E+04-5.04582379E+01-2.72715749E+00 5.81284460E-02-4.95837612E-05 3 2.17200027E-08-3.81950910E-12 5.35333192E+04 3.79217597E+01 4 ME2.CYBE AMD HBI C 6H 5 0 0G 300.000 5000.000 1399.000 01 1.47935410E+01 1.36982398E-02-4.71428306E-06 7.35038607E-10-4.27753938E-14 2 6.31477760E+04-5.33679785E+01-1.96051868E+00 5.92212758E-02-5.32079072E-05 3 2.44539785E-08-4.47191178E-12 6.83309079E+04 3.43525622E+01 4 ME2CYBE. AMD HBI C 6H 5 0 0G 300.000 5000.000 1397.000 01 1.42902700E+01 1.41337600E-02-4.86618419E-06 7.58913560E-10-4.41718983E-14 2 6.21943099E+04-5.03391319E+01-1.09941854E+00 5.42433455E-02-4.58766648E-05 3 2.01188884E-08-3.55973731E-12 6.71315929E+04 3.08525516E+01 4 C6H5O burcat C 6H 5O 1 0G 300.000 5000.000 1404.000 01 1.57807566E+01 1.53457157E-02-5.27043654E-06 8.20712969E-10-4.77219615E-14 2 -1.78503256E+03-6.18529871E+01-3.91059512E+00 6.78847556E-02-5.97456438E-05 3 2.66395823E-08-4.71791695E-12 4.34830484E+03 4.14962909E+01 4 C*C*CAM MELJWB 092898 C 6H 6O 0N 0G 300.000 5000.000 1395.000 01 1.51517339E+01 1.58832166E-02-5.45417699E-06 8.49028442E-10-4.93498571E-14 2 4.15521217E+04-5.51763713E+01 2.82725912E-01 5.36951707E-02-4.33288394E-05 3 1.84755911E-08-3.22460294E-12 4.64426192E+04 2.36456275E+01 4 C@CCCC@CM MELJWB 092898 C 6H 6O 0N 0G 300.000 5000.000 1396.000 01 1.49223730E+01 1.59943183E-02-5.47325376E-06 8.49943203E-10-4.93177977E-14 2 4.51373652E+04-5.36822731E+01 4.88958865E-01 5.36010287E-02-4.43068573E-05 3 1.95033440E-08-3.50737481E-12 4.98143030E+04 2.25436777E+01 4 C*C*CCC@CMMELJWB091498 C 6H 6 0 0G 300.000 5000.000 1389.000 11 1.56174804E+01 1.54579616E-02-5.39608314E-06 8.49282286E-10-4.97447720E-14 2 4.51981292E+04-5.72755680E+01 5.79332658E-01 5.21098586E-02-4.06142620E-05 3 1.66931990E-08-2.83914082E-12 5.03295212E+04 2.30524170E+01 4 C@CC*CC*CM MELJWB091498 C 6H 6 0 0G 300.000 5000.000 1397.000 01 1.49361029E+01 1.59899989E-02-5.47412992E-06 8.50385685E-10-4.93578073E-14 2 3.34651479E+04-5.38470832E+01-3.90619526E-01 5.57810517E-02-4.61802262E-05 3 2.01481761E-08-3.57605274E-12 3.84197241E+04 2.71036759E+01 4 V(C@C)VM MELJWB 092498 C 6H 6O 0N 0G 300.000 5000.000 1397.000 01 1.50471139E+01 1.58775407E-02-5.43092335E-06 8.43150319E-10-4.89156515E-14 2 3.45362403E+04-5.46801341E+01-3.87193910E-01 5.68646831E-02-4.84402807E-05 3 2.17356402E-08-3.94746034E-12 3.94444140E+04 2.65311737E+01 4 V(C:)CC@C MELJWB 092898 C 6H 6O 0N 0G 300.000 5000.000 1396.000 01 1.54861234E+01 1.55797220E-02-5.34538358E-06 8.31635702E-10-4.83210262E-14 2 7.16187322E+04-5.43560704E+01 4.77316752E-01 5.39600523E-02-4.39301937E-05 3 1.88128706E-08-3.28548551E-12 7.65234527E+04 2.51139304E+01 4 FULVENE(:)MELJWB 092898 C 6H 6O 0N 0G 300.000 5000.000 1398.000 01 1.50175442E+01 1.61141274E-02-5.56206132E-06 8.68997784E-10-5.06452209E-14 2 6.00353556E+04-5.73899577E+01-3.42047775E+00 6.31194897E-02-5.21946946E-05 3 2.21426235E-08-3.78428510E-12 6.60215398E+04 4.01992538E+01 4 ME2CYBE MELJWB 092498 C 6H 6O 0N 0G 300.000 5000.000 1398.000 01 1.49267324E+01 1.60880613E-02-5.52925059E-06 8.61316381E-10-5.00918698E-14 2 3.30304201E+04-5.73697854E+01-2.87334527E+00 6.27157456E-02-5.33699961E-05 3 2.34813300E-08-4.15752311E-12 3.87076234E+04 3.64382047E+01 4 !FULVENE MELJWB 092398 C 6H 6O 0N 0G 300.000 5000.000 1399.000 01 ! 1.46702893E+01 1.63275528E-02-5.61747637E-06 8.75737717E-10-5.09599430E-14 2 ! 1.90199442E+04-5.75160385E+01-4.52721909E+00 6.67119829E-02-5.72427801E-05 3 ! 2.51859702E-08-4.44027727E-12 2.51134722E+04 4.35894166E+01 4 CY2(C5C3) CY2(C5C3) C 6H 6O 0N 0G 300.000 5000.000 1401.000 01 1.48922112E+01 1.61866199E-02-5.58003367E-06 8.71109008E-10-5.07412834E-14 2 3.77255789E+04-5.88504863E+01-5.54412577E+00 7.00676943E-02-6.08885707E-05 3 2.68951957E-08-4.73704828E-12 4.41691571E+04 4.86612155E+01 4 CYC5CYC3 MELJWB 092498 C 6H 6O 0N 0G 300.000 5000.000 1401.000 01 1.48922112E+01 1.61866199E-02-5.58003367E-06 8.71109008E-10-5.07412834E-14 2 3.77255789E+04-5.88504863E+01-5.54412577E+00 7.00676943E-02-6.08885707E-05 3 2.68951957E-08-4.73704828E-12 4.41691571E+04 4.86612155E+01 4 CHD135EE MELJWB091498 C 6H 6 0 0G 300.000 5000.000 1397.000 01 1.48802819E+01 1.62865010E-02-5.63434446E-06 8.81654541E-10-5.14389897E-14 2 4.99769277E+04-5.71857608E+01-3.77890102E+00 6.30474000E-02-5.10666474E-05 3 2.11498924E-08-3.53258112E-12 5.61083864E+04 4.18486129E+01 4 CHT124 MELJWB091498 C 6H 6 0 0G 300.000 5000.000 1397.000 01 1.47105475E+01 1.63890133E-02-5.65995715E-06 8.84594491E-10-5.15660139E-14 2 3.83585022E+04-5.70709498E+01-3.84127575E+00 6.36941332E-02-5.26750132E-05 3 2.24014916E-08-3.84334284E-12 4.43889335E+04 4.11311014E+01 4 CYC6H6M MELJWB 092498 C 6H 6O 0N 0G 300.000 5000.000 1399.000 01 1.42531779E+01 1.67619250E-02-5.78593223E-06 9.04043734E-10-5.26917815E-14 2 1.23838017E+03-5.85859539E+01-5.95919494E+00 6.87399616E-02-5.77108905E-05 3 2.46990706E-08-4.23772366E-12 7.74013216E+03 4.82090680E+01 4 C*C*CC*V 9/22/98AMD SIGC 6H 6 0 0G 300.000 5000.000 1398.000 11 1.61129419E+01 1.46009043E-02-5.00236277E-06 7.77487443E-10-4.51422346E-14 2 4.04062023E+04-6.00510477E+01-1.19233305E-02 5.93363757E-02-5.39773697E-05 3 2.54302543E-08-4.77219972E-12 4.53441925E+04 2.41177951E+01 4 LONG0033 09/22/98SIG=1 C 6H 6 0 0G 300.000 5000.000 1380.000 21 1.53221766E+01 1.54570123E-02-5.43490986E-06 8.59489404E-10-5.05089771E-14 2 4.28044424E+04-5.37158115E+01 1.97787973E+00 4.66349735E-02-3.46378813E-05 3 1.39851796E-08-2.41141809E-12 4.75767799E+04 1.81849672E+01 4 V(C@C)V 09/28/98AMDSIGC 6H 6 0 0G 300.000 5000.000 1399.000 21 1.76344937E+01 1.29954451E-02-4.47514226E-06 6.98112173E-10-4.06433974E-14 2 3.37805011E+04-7.05094444E+01-1.69802655E+00 6.90028173E-02-6.79034905E-05 3 3.33711049E-08-6.39522846E-12 3.94307558E+04 2.95072374E+01 4 C8H2 1/10/97 C 8H 2 0 0G 300.000 5000.000 1387.000 31 1.99768558E+01 5.96178585E-03-2.15643568E-06 3.47546819E-10-2.06962999E-14 2 9.67359776E+04-7.67132849E+01 7.11333705E+00 3.93548990E-02-3.57428320E-05 3 1.58126017E-08-2.75119021E-12 1.00824448E+05-8.88570323E+00 4 C10H2 05/27/99 12:11C 10H 2 0 0G 300.000 5000.000 1392.000 41 2.45425397E+01 6.79868250E-03-2.45536315E-06 3.95326074E-10-2.35252636E-14 2 1.20867885E+05-9.75902275E+01 7.20601311E+00 5.61924521E-02-5.73277769E-05 3 2.81567972E-08-5.34353748E-12 1.25983460E+05-7.65993450E+00 4 PAHSINK DUMMY C 10H 7 0 0G 300.000 5000.000 1456.000 11 8.52278624E+00 3.51324311E-02-1.80321929E-05 3.92352847E-09-2.85451695E-13 2 6.30129607E+04-1.65650638E+01-1.66315751E+00 6.60176071E-02-5.36019176E-05 3 2.21253154E-08-3.74763332E-12 6.57838491E+04 3.55201818E+01 4 C12H2 05/27/99 12:11C 12H 2 0 0G 300.000 5000.000 1393.000 51 2.92941673E+01 7.51708065E-03-2.72302594E-06 4.39297567E-10-2.61781776E-14 2 1.44870284E+05-1.19647124E+02 8.55567742E+00 6.65128444E-02-6.79512120E-05 3 3.32243956E-08-6.26477955E-12 1.50974115E+05-1.20791055E+01 4 C14H2 05/27/99 12:11C 14H 2 0 0G 300.000 5000.000 1395.000 61 3.40098249E+01 8.25938645E-03-2.99732214E-06 4.84124880E-10-2.88732886E-14 2 1.68901347E+05-1.41463801E+02 1.00498250E+01 7.64077386E-02-7.81784415E-05 3 3.81407492E-08-7.16613226E-12 1.75937393E+05-1.72109349E+01 4 C16H2 05/27/99 12:11C 16H 2 0 0G 300.000 5000.000 1398.000 71 3.90295244E+01 8.75184417E-03-3.18767196E-06 5.16113161E-10-3.08325258E-14 2 1.92757907E+05-1.65171493E+02 1.01314992E+01 9.16750373E-02-9.50686970E-05 3 4.65665090E-08-8.74291926E-12 2.01135264E+05-1.56303626E+01 4 C18H2 06/21/99 11:47C 18H 2 0 0G 300.000 5000.000 1394.000 01 3.95033799E+01 1.60679728E-02-5.62703767E-06 8.87548475E-10-5.20650065E-14 2 2.18346801E+05-1.63365433E+02 1.15726855E+01 1.02427131E-01-1.09970598E-04 3 5.77246697E-08-1.16126304E-11 2.26106128E+05-2.05594954E+01 4 a1 C 6H 6 G 300.00 3000.00 1000.00 1 0.64922481E+01 0.30212950E-01-0.14225721E-04 0.31538077E-08-0.26840851E-12 2 0.59530361E+04-0.15076688E+02-0.62811103E+01 0.69343522E-01-0.58204831E-04 3 0.24594025E-07-0.40867257E-11 0.92244199E+04 0.49825371E+02 4 a1@ C 6H 5 G 300.00 3000.00 1000.00 1 0.45293603E+01 0.32217931E-01-0.17203625E-04 0.43952779E-08-0.43617310E-12 2 0.36331570E+05-0.13606175E+01-0.50271893E+01 0.62374208E-01-0.52014348E-04 3 0.21756406E-07-0.35863079E-11 0.38703305E+05 0.46903263E+02 4 a1c2h C 8H 6 G 300.00 3000.00 1000.00 1 0.88577890E+01 0.36947988E-01-0.19501325E-04 0.49990048E-08-0.50325114E-12 2 0.32259646E+05-0.24134254E+02-0.47712975E+01 0.81254289E-01-0.71960909E-04 3 0.31706914E-07-0.54287790E-11 0.35530238E+05 0.44264370E+02 4 a1c2h@ C 8H 5 G 300.00 3000.00 1000.00 1 0.84044971E+01 0.34952514E-01-0.18898101E-04 0.49321502E-08-0.50328264E-12 2 0.62668254E+05-0.19354698E+02-0.36378927E+01 0.75063892E-01-0.67337343E-04 3 0.29975578E-07-0.51764587E-11 0.65475152E+05 0.40759918E+02 4 a1c2h* C 8H 5 G 300.00 3000.00 1000.00 1 0.84044971E+01 0.34952514E-01-0.18898101E-04 0.49321502E-08-0.50328264E-12 2 0.62668254E+05-0.19354698E+02-0.36378927E+01 0.75063892E-01-0.67337343E-04 3 0.29975578E-07-0.51764587E-11 0.65475152E+05 0.40759918E+02 4 a1c2hc2h C 10H 6 G 300.00 3000.00 1000.00 1 0.11927510E+02 0.41159239E-01-0.22001357E-04 0.56701901E-08-0.57037361E-12 2 0.59248914E+05-0.38374886E+02-0.34323339E+01 0.94287880E-01-0.88047243E-04 3 0.40563599E-07-0.71866966E-11 0.62659652E+05 0.37644409E+02 4 a1c2hc2h2 C 10H 7 G 300.00 3000.00 1000.00 1 0.12682545E+02 0.41427381E-01-0.21112050E-04 0.52004099E-08-0.50326404E-12 2 0.68911625E+05-0.38095100E+02-0.23251352E+01 0.89464821E-01-0.77251956E-04 3 0.33484156E-07-0.56768596E-11 0.72577641E+05 0.37472275E+02 4 na1c2h2 C 8H 7 G 300.00 3000.00 1000.00 1 0.68442039E+01 0.43147776E-01-0.23100672E-04 0.59723293E-08-0.60394696E-12 2 0.43057676E+05-0.96080112E+01-0.35418882E+01 0.75955607E-01-0.61006496E-04 3 0.24891278E-07-0.40388144E-11 0.45632359E+05 0.42834057E+02 4 ia1c2h2 C 8H 7 G 300.00 3000.00 1000.00 1 0.68442039E+01 0.43147776E-01-0.23100672E-04 0.59723293E-08-0.60394696E-12 2 0.43057676E+05-0.96080112E+01-0.35418882E+01 0.75955607E-01-0.61006496E-04 3 0.24891278E-07-0.40388144E-11 0.45632359E+05 0.42834057E+02 4 a1c2h3 C 8H 8 G 300.00 3000.00 1000.00 1 0.75491753E+01 0.44203755E-01-0.22613463E-04 0.55694716E-08-0.53681517E-12 2 0.12959236E+05-0.15586662E+02-0.44524121E+01 0.81326328E-01-0.64707274E-04 3 0.26248664E-07-0.42431809E-11 0.16002283E+05 0.45275227E+02 4 a1c2h3* C 8H 7 G 300.00 3000.00 1000.00 1 0.75991735E+01 0.41713297E-01-0.22102393E-04 0.56703238E-08-0.57039031E-12 2 0.42683980E+05-0.13774718E+02-0.34124708E+01 0.75114399E-01-0.59295329E-04 3 0.23654641E-07-0.37512250E-11 0.45532797E+05 0.42286827E+02 4 a2@ C 10H 7 G 300.00 3000.00 1000.00 1 0.75991249E+01 0.51569160E-01-0.28099827E-04 0.73143860E-08-0.73815303E-12 2 0.42606988E+05-0.17602940E+02-0.68930702E+01 0.97459525E-01-0.81234401E-04 3 0.33880987E-07-0.55683435E-11 0.46189914E+05 0.55534534E+02 4 LONG0037 C 10H 7 G 300.00 3000.00 1000.00 1 0.12682545E+02 0.41427381E-01-0.21112050E-04 0.52004099E-08-0.50326404E-12 2 0.68911625E+05-0.38095100E+02-0.23251352E+01 0.89464821E-01-0.77251956E-04 3 0.33484156E-07-0.56768596E-11 0.72577641E+05 0.37472275E+02 4 a2@x C 10H 7 G 300.00 3000.00 1000.00 1 0.75991249E+01 0.51569160E-01-0.28099827E-04 0.73143860E-08-0.73815303E-12 2 0.42606988E+05-0.17602940E+02-0.68930702E+01 0.97459525E-01-0.81234401E-04 3 0.33880987E-07-0.55683435E-11 0.46189914E+05 0.55534534E+02 4 a2 C 10H 8 G 300.00 3000.00 1000.00 1 0.10065233E+02 0.48775829E-01-0.24719368E-04 0.60058238E-08-0.57038846E-12 2 0.11814232E+05-0.33767311E+02-0.80175877E+01 0.10358767E+00-0.85713771E-04 3 0.35481992E-07-0.57811763E-11 0.16495713E+05 0.58307056E+02 4 LONG0038 RAD. C 16H 9 G 300.00 3000.00 1000.00 1 0.48546219E+00 0.11232105E+00-0.77263343E-04 0.24770424E-07-0.29778029E-11 2 0.89472992E+05 0.23488426E+02 0.48546219E+00 0.11232105E+00-0.77263343E-04 3 0.24770424E-07-0.29778029E-11 0.89472992E+05 0.23488426E+02 4 LONG0039 RAD. C 18H 11 G 300.00 3000.00 1000.00 1 -0.28423767E+01 0.13515674E+00-0.91894675E-04 0.29137862E-07-0.34712342E-11 2 0.69470766E+05 0.38554459E+02-0.28423767E+01 0.13515674E+00-0.91894675E-04 3 0.29137862E-07-0.34712342E-11 0.69470766E+05 0.38554459E+02 4 A4 C 16H 10 G 300.00 3000.00 1000.00 1 0.14947203E+02 0.75398311E-01-0.40605522E-04 0.10434470E-07-0.10400922E-11 2 0.16739480E+05-0.61730057E+02-0.13603004E+02 0.16536887E+00-0.14433957E-03 3 0.62118751E-07-0.10410650E-10 0.23835455E+05 0.82498795E+02 4 a2c2h C 12H 8 G 300.00 3000.00 1000.00 1 0.12883723E+02 0.53925619E-01-0.28309112E-04 0.71464932E-08-0.70458526E-12 2 0.38594602E+05-0.45415119E+02-0.66371965E+01 0.11633962E+00-0.10118097E-03 3 0.43831491E-07-0.74108107E-11 0.43369137E+05 0.52900764E+02 4 a2c2h* C 12H 7 G 300.00 3000.00 1000.00 1 0.13437435E+02 0.49848817E-01-0.26111215E-04 0.65424612E-08-0.63746838E-12 2 0.68488773E+05-0.46824146E+02-0.53743582E+01 0.10930799E+00-0.94846189E-04 3 0.40863480E-07-0.68708927E-11 0.73149055E+05 0.48149448E+02 4 a2c2h2 C 12H 9 G 300.00 3000.00 1000.00 1 0.11877213E+02 0.58043912E-01-0.30313649E-04 0.75825932E-08-0.73812712E-12 2 0.49784051E+05-0.36388348E+02-0.52783375E+01 0.11019965E+00-0.88515211E-04 3 0.35779085E-07-0.57332260E-11 0.54212156E+05 0.50912991E+02 4 a2r5 C 12H 8 G 300.00 3000.00 1000.00 1 0.10669250E+02 0.58228705E-01-0.31303640E-04 0.80523943E-08-0.80524031E-12 2 0.24343252E+05-0.35799408E+02-0.85251036E+01 0.11928228E+00-0.10227106E-03 3 0.43649191E-07-0.72938313E-11 0.29065145E+05 0.60977177E+02 4 a2r5@ C 12H 7 G 300.00 3000.00 1000.00 1 0.12229530E+02 0.51736198E-01-0.27210122E-04 0.68444619E-08-0.67102492E-12 2 0.53126535E+05-0.41835529E+02-0.76056662E+01 0.11384922E+00-0.98425851E-04 3 0.42161286E-07-0.70499314E-11 0.58090379E+05 0.58498463E+02 4 a2r5c2h@ C 14H 7 G 300.00 3000.00 1000.00 1 0.16054121E+02 0.54513201E-01-0.28712049E-04 0.72136954E-08-0.70459643E-12 2 0.79727063E+05-0.60252388E+02-0.61373167E+01 0.12604176E+00-0.11280124E-03 3 0.49781452E-07-0.85202817E-11 0.85105148E+05 0.51321342E+02 4 a2r5c2h* C 14H 7 G 300.00 3000.00 1000.00 1 0.16054121E+02 0.54513201E-01-0.28712049E-04 0.72136954E-08-0.70459643E-12 2 0.79727063E+05-0.60252388E+02-0.61373167E+01 0.12604176E+00-0.11280124E-03 3 0.49781452E-07-0.85202817E-11 0.85105148E+05 0.51321342E+02 4 a2r5c2h C 14H 8 G 300.00 3000.00 1000.00 1 0.16507406E+02 0.56508720E-01-0.29315341E-04 0.72805841E-08-0.70457046E-12 2 0.49670719E+05-0.64337425E+02-0.72707138E+01 0.13223213E+00-0.11742481E-03 3 0.51512806E-07-0.87726076E-11 0.55512512E+05 0.55520275E+02 4 a2c2hc2h2 C 14H 9 G 300.00 3000.00 1000.00 1 0.16960402E+02 0.57758402E-01-0.29323630E-04 0.71127881E-08-0.67101386E-12 2 0.74617664E+05-0.61397240E+02-0.41910162E+01 0.12455017E+00-0.10647208E-03 3 0.45608772E-07-0.76589004E-11 0.79862930E+05 0.45409012E+02 4 a3@ C 14H 9 G 300.00 3000.00 1000.00 1 0.12380564E+02 0.67111030E-01-0.35908244E-04 0.91594794E-08-0.90588051E-12 2 0.46690891E+05-0.43752888E+02-0.86295357E+01 0.13170364E+00-0.10874330E-03 3 0.44768928E-07-0.72627863E-11 0.52052047E+05 0.62924053E+02 4 a3 C 14H 10 G 300.00 3000.00 1000.00 1 0.14343401E+02 0.65106079E-01-0.32930293E-04 0.79179694E-08-0.73810858E-12 2 0.16614330E+05-0.56371540E+02-0.98834953E+01 0.13867313E+00-0.11493408E-03 3 0.47606729E-07-0.77632440E-11 0.22875129E+05 0.66943474E+02 4 a3c2h C 16H 10 G 300.00 3000.00 1000.00 1 0.17916178E+02 0.68823002E-01-0.35523120E-04 0.87571221E-08-0.83881182E-12 2 0.45472168E+05-0.72886986E+02-0.83736801E+01 0.15058392E+00-0.12869021E-03 3 0.54719663E-07-0.91053077E-11 0.52099922E+05 0.60285328E+02 4 a3c2h* C 16H 9 G 300.00 3000.00 1000.00 1 0.17463377E+02 0.66826381E-01-0.34918914E-04 0.86899119E-08-0.83879697E-12 2 0.75528328E+05-0.68804543E+02-0.72402477E+01 0.14439340E+00-0.12406643E-03 3 0.52988195E-07-0.88529600E-11 0.81692539E+05 0.56086224E+02 4 a3c2h2 C 16H 11 G 300.00 3000.00 1000.00 1 0.14695650E+02 0.78040272E-01-0.41804768E-04 0.10736340E-07-0.10736303E-11 2 0.56811305E+05-0.51961819E+02-0.74462013E+01 0.14694586E+00-0.12036930E-03 3 0.49514316E-07-0.80508196E-11 0.62389480E+05 0.60183659E+02 4 a3r5 C 16H 10 G 300.00 3000.00 1000.00 1 0.15450428E+02 0.73771216E-01-0.39112609E-04 0.98976871E-08-0.97299382E-12 2 0.28074166E+05-0.61265614E+02-0.10525881E+02 0.15462767E+00-0.13132169E-03 3 0.55418102E-07-0.91644678E-11 0.34616801E+05 0.70294853E+02 4 a3r5@ C 16H 9 G 300.00 3000.00 1000.00 1 0.17010599E+02 0.67278922E-01-0.35019228E-04 0.86897929E-08-0.83878211E-12 2 0.56858246E+05-0.67988556E+02-0.93421087E+01 0.14809324E+00-0.12593465E-03 3 0.53049177E-07-0.87443681E-11 0.63600211E+05 0.65882843E+02 4 a4 C 16H 10 G 300.00 3000.00 1000.00 1 0.14947203E+02 0.75398311E-01-0.40605522E-04 0.10434470E-07-0.10400922E-11 2 0.16739480E+05-0.61730057E+02-0.13603004E+02 0.16536887E+00-0.14433957E-03 3 0.62118751E-07-0.10410650E-10 0.23835455E+05 0.82498795E+02 4 a4@ C 16H 9 G 300.00 3000.00 1000.00 1 0.16759233E+02 0.68259701E-01-0.35916270E-04 0.89916075E-08-0.87231649E-12 2 0.45951535E+05-0.68390465E+02-0.12419283E+02 0.15883462E+00-0.13895276E-03 3 0.59749958E-07-0.99905761E-11 0.53322152E+05 0.79471024E+02 4 a4c2h C 18H 10 G 300.00 3000.00 1000.00 1 0.20029598E+02 0.75114593E-01-0.39616909E-04 0.99651301E-08-0.97303459E-12 2 0.42758711E+05-0.85390472E+02-0.12213789E+02 0.17805897E+00-0.15966332E-03 3 0.70338423E-07-0.12000914E-10 0.50657637E+05 0.77050331E+02 4 a4c2h* C 18H 9 G 300.00 3000.00 1000.00 1 0.21842550E+02 0.67973837E-01-0.34925917E-04 0.85216705E-08-0.80518469E-12 2 0.72071141E+05-0.93439766E+02-0.11029999E+02 0.17152438E+00-0.15427588E-03 3 0.67969196E-07-0.11580739E-10 0.80244984E+05 0.72638252E+02 4 a4c2hc2h2 C 20H 11 G 300.00 3000.00 1000.00 1 0.22898773E+02 0.81966303E-01-0.43315038E-04 0.10937820E-07-0.10736525E-11 2 0.79199961E+05-0.95010506E+02-0.97676067E+01 0.18626945E+00-0.16495424E-03 3 0.72115562E-07-0.12248969E-10 0.87201766E+05 0.69558571E+02 4 a4r5 C 18H 10 G 300.00 3000.00 1000.00 1 0.19828318E+02 0.74921668E-01-0.39122049E-04 0.97302859E-08-0.93948536E-12 2 0.28895980E+05-0.85886879E+02-0.14051338E+02 0.18065751E+00-0.15998966E-03 3 0.69518329E-07-0.11716106E-10 0.37405238E+05 0.85608284E+02 4 a4r5@ C 18H 9 G 300.00 3000.00 1000.00 1 0.19375906E+02 0.72924085E-01-0.38517090E-04 0.96628243E-08-0.93944091E-12 2 0.58348105E+05-0.81806465E+02-0.12917921E+02 0.17446706E+00-0.15536598E-03 3 0.67786900E-07-0.11463760E-10 0.66393930E+05 0.81409256E+02 4 a4r5c2h C 20H 10 G 300.00 3000.00 1000.00 1 0.22898882E+02 0.79130985E-01-0.41620518E-04 0.10400939E-07-0.10065430E-11 2 0.55583031E+05-0.10013197E+03-0.12712341E+02 0.19369102E+00-0.17607586E-03 3 0.78374931E-07-0.13474003E-10 0.64232688E+05 0.78988159E+02 4 a4r5c2h* C 20H 9 G 300.00 3000.00 1000.00 1 0.22949533E+02 0.76639026E-01-0.41108247E-04 0.10501388E-07-0.10400699E-11 2 0.85393133E+05-0.99023079E+02-0.11672390E+02 0.18747897E+00-0.17066367E-03 3 0.75780704E-07-0.12981995E-10 0.93848766E+05 0.75300171E+02 4 a5 C 20H 12 G 300.00 3000.00 1000.00 1 0.18017067E+02 0.94749309E-01-0.51501487E-04 0.13353477E-07-0.13420573E-11 2 0.21806994E+05-0.77972939E+02-0.15468912E+02 0.20045428E+00-0.17355981E-03 3 0.74243452E-07-0.12392714E-10 0.30114219E+05 0.91130188E+02 4 a5@ C 20H 11 G 300.00 3000.00 1000.00 1 0.19577251E+02 0.88257037E-01-0.47408193E-04 0.12145629E-07-0.12078530E-11 2 0.50641406E+05-0.84001442E+02-0.14285196E+02 0.19392006E+00-0.16817304E-03 3 0.71874688E-07-0.11972646E-10 0.59147973E+05 0.87412971E+02 4 a5c2h C 22H 12 G 300.00 3000.00 1000.00 1 0.23855274E+02 0.93029149E-01-0.49513023E-04 0.12581607E-07-0.12413800E-11 2 0.49953539E+05-0.10650408E+03-0.13950191E+02 0.21230279E+00-0.18717175E-03 3 0.81226091E-07-0.13695301E-10 0.59338082E+05 0.84434525E+02 4 a5c2h* C 22H 11 G 300.00 3000.00 1000.00 1 0.25414692E+02 0.86538747E-01-0.45421279E-04 0.11374297E-07-0.11072426E-11 2 0.79341797E+05-0.11322307E+03-0.12766434E+02 0.20576838E+00-0.18178465E-03 3 0.78857092E-07-0.13275182E-10 0.88925438E+05 0.80022598E+02 4 a5c2h2 C 22H 13 G 300.00 3000.00 1000.00 1 0.23855560E+02 0.94731212E-01-0.49621493E-04 0.12413641E-07-0.12078011E-11 2 0.60256570E+05-0.10274823E+03-0.12972471E+02 0.20832126E+00-0.17808820E-03 3 0.75383653E-07-0.12473134E-10 0.69622367E+05 0.84120430E+02 4 a5r5 C 22H 12 G 300.00 3000.00 1000.00 1 0.22647224E+02 0.94916910E-01-0.50612267E-04 0.12883726E-07-0.12749515E-11 2 0.33182957E+05-0.10150256E+03-0.15917192E+02 0.21574274E+00-0.18920962E-03 3 0.81642860E-07-0.13698130E-10 0.42828426E+05 0.93549934E+02 4 a5r5@ C 22H 11 G 300.00 3000.00 1000.00 1 0.22949217E+02 0.91486201E-01-0.49010101E-04 0.12514625E-07-0.12413949E-11 2 0.62346332E+05-0.10159803E+03-0.14918728E+02 0.20981264E+00-0.18441700E-03 3 0.79556088E-07-0.13334461E-10 0.71844930E+05 0.90037582E+02 4 a6 C 22H 12 G 300.00 3000.00 1000.00 1 0.22143637E+02 0.96544914E-01-0.52105912E-04 0.13420755E-07-0.13420796E-11 2 0.19532520E+05-0.10128279E+03-0.19258677E+02 0.22758538E+00-0.20376954E-03 3 0.89224685E-07-0.15120554E-10 0.29773855E+05 0.10768226E+03 4 a6@ C 22H 11 G 300.00 3000.00 1000.00 1 0.24459055E+02 0.88617586E-01-0.47013851E-04 0.11910728E-07-0.11742966E-11 2 0.48581973E+05-0.11148444E+03-0.17945496E+02 0.22020975E+00-0.19667120E-03 3 0.85619014E-07-0.14412833E-10 0.59296855E+05 0.10341255E+03 4 a6c2h C 24H 12 G 300.00 3000.00 1000.00 1 0.27981894E+02 0.94824769E-01-0.50117531E-04 0.12648932E-07-0.12414096E-11 2 0.47679051E+05-0.12981422E+03-0.17739952E+02 0.23943384E+00-0.21738131E-03 3 0.96207174E-07-0.16423102E-10 0.58997727E+05 0.10098660E+03 4 a6c2h* C 24H 11 G 300.00 3000.00 1000.00 1 0.25264643E+02 0.98262727E-01-0.54092459E-04 0.14191965E-07-0.14426753E-11 2 0.78446211E+05-0.11372123E+03-0.16615469E+02 0.23330583E+00-0.21290216E-03 3 0.94606300E-07-0.16210297E-10 0.88591266E+05 0.96825211E+02 4 a6r5 C 24H 12 G 300.00 3000.00 1000.00 1 0.25516001E+02 0.99773169E-01-0.53707103E-04 0.13789509E-07-0.13755917E-11 2 0.31842039E+05-0.11818490E+03-0.19627853E+02 0.24237642E+00-0.21847128E-03 3 0.96024806E-07-0.16306111E-10 0.43032930E+05 0.10975751E+03 4 a6r5@ C 24H 11 G 300.00 3000.00 1000.00 1 0.25063217E+02 0.98070145E-01-0.53597891E-04 0.13957229E-07-0.14091409E-11 2 0.61261922E+05-0.11421183E+03-0.18453024E+02 0.23590438E+00-0.21322847E-03 3 0.93786170E-07-0.15925476E-10 0.72017266E+05 0.10538822E+03 4 a7 C 24H 12 G 300.00 3000.00 1000.00 1 0.26522682E+02 0.97692676E-01-0.52113166E-04 0.13252603E-07-0.13084784E-11 2 0.15953031E+05-0.12774158E+03-0.22482132E+02 0.25195420E+00-0.22980332E-03 3 0.10171420E-06-0.17336625E-10 0.28147363E+05 0.11987509E+03 4 a7@ C 24H 11 G 300.00 3000.00 1000.00 1 0.24559917E+02 0.99697374E-01-0.55090881E-04 0.14494025E-07-0.14762393E-11 2 0.46404359E+05-0.11329691E+03-0.21530153E+02 0.24664560E+00-0.22624648E-03 3 0.10048695E-06-0.17171696E-10 0.57713031E+05 0.11897117E+03 4 a7r5 C 26H 12 G 300.00 3000.00 1000.00 1 0.29894409E+02 0.10092248E+00-0.53715670E-04 0.13621823E-07-0.13420498E-11 2 0.28815568E+05-0.14355032E+03-0.23115673E+02 0.26784676E+00-0.24604719E-03 3 0.10939549E-06-0.18698409E-10 0.42001863E+05 0.12428637E+03 4 a7r5@ C 26H 11 G 300.00 3000.00 1000.00 1 0.27176434E+02 0.10436218E+00-0.57692061E-04 0.15165378E-07-0.15433823E-11 2 0.59001520E+05-0.12671920E+03-0.22293095E+02 0.26337931E+00-0.24420148E-03 3 0.10940493E-06-0.18821094E-10 0.71027930E+05 0.12214802E+03 4 p2 C 12H 10 G 298.00 3000.00 1000.00 1 0.66229324E+01 0.72734728E-01-0.41099047E-04 0.11105603E-07-0.11608894E-11 2 0.15832521E+05-0.12631576E+02-0.10673906E+02 0.13127725E+00-0.11268751E-03 3 0.48470433E-07-0.81829552E-11 0.19784119E+05 0.73403030E+02 4 p2@ C 12H 9 G 298.00 3000.00 1000.00 1 0.69050980E+01 0.69284037E-01-0.39505569E-04 0.10753098E-07-0.11306668E-11 2 0.45278355E+05-0.12385893E+02-0.96000824E+01 0.12525205E+00-0.10804480E-03 3 0.46565138E-07-0.78663092E-11 0.49040051E+05 0.69676010E+02 4 p3 C 18H 14 G 300.00 3000.00 1000.00 1 -0.92286987e+01 0.16098629e+00-0.11185688e-03 0.36133319e-07-0.43661567e-11 2 0.29644883e+05 0.70853821e+02-0.92286987e+01 0.16098629e+00-0.11185688e-03 3 0.36133319e-07-0.43661567e-11 0.29644883e+05 0.70853821e+02 4 p3@ C 18H 13 G 300.00 3000.00 1000.00 1 -0.83161106e+01 0.15582846e+00-0.10868767e-03 0.35184787e-07-0.42568544e-11 2 0.58921566e+05 0.67846596e+02-0.83161106e+01 0.15582846e+00-0.10868767e-03 3 0.35184787e-07-0.42568544e-11 0.58921566e+05 0.67846596e+02 4 d4 C 18H 12 G 300.00 3000.00 1000.00 1 -0.62813835e+01 0.14584434e+00-0.99101337e-04 0.31391274e-07-0.37350288e-11 2 0.27251906e+05 0.49046505e+02-0.62813835e+01 0.14584434e+00-0.99101337e-04 3 0.31391274e-07-0.37350288e-11 0.27251906e+05 0.49046505e+02 4 d4@ C 18H 11 G 300.00 3000.00 1000.00 1 -0.53688164e+01 0.14068653e+00-0.95932170e-04 0.30442763e-07-0.36257295e-11 2 0.56528590e+05 0.46444855e+02-0.53688164e+01 0.14068653e+00-0.95932170e-04 3 0.30442763e-07-0.36257295e-11 0.56528590e+05 0.46444855e+02 4 d4c2h C 20H 12 G 300.00 3000.00 1000.00 1 -0.37413750e+01 0.15255244e+00-0.10465142e-03 0.33418551e-07-0.40013964e-11 2 0.53378605e+05 0.38850296e+02-0.37413750e+01 0.15255244e+00-0.10465142e-03 3 0.33418551e-07-0.40013964e-11 0.53378605e+05 0.38850296e+02 4 HCO2. 9/20/ 1 C 1H 1O 2 0G 300.000 5000.000 1376.000 01 5.69424313E+00 3.80254685E-03-1.34588655E-06 2.13806333E-10-1.26050130E-14 2 -2.17192783E+04-4.44435092E+00 1.92396001E+00 1.15312995E-02-6.96484769E-06 3 1.86741565E-09-1.61493244E-13-2.03035284E+04 1.61852783E+01 4 HC*O(O.) 9/20/ 1 C 1H 1O 2 0G 300.000 5000.000 1376.000 01 5.69424313E+00 3.80254685E-03-1.34588655E-06 2.13806333E-10-1.26050130E-14 2 -2.17192783E+04-4.44435092E+00 1.92396001E+00 1.15312995E-02-6.96484769E-06 3 1.86741565E-09-1.61493244E-13-2.03035284E+04 1.61852783E+01 4 HCQ.*O 9/20/ 1 C 1H 1O 3 0G 300.000 5000.000 1368.000 11 7.24075139E+00 4.63312951E-03-1.63693995E-06 2.59706693E-10-1.52964699E-14 2 -1.96589772E+04-6.49547212E+00 3.96059309E+00 1.06002279E-02-5.25713351E-06 3 1.01716726E-09-2.87487602E-14-1.83161537E+04 1.17807483E+01 4 C.Q*O 9/20/ 1 C 1H 1O 3 0G 300.000 5000.000 1393.000 21 9.18468525E+00 2.58487583E-03-9.37678665E-07 1.51412868E-10-9.02860525E-15 2 -1.88173544E+04-1.68122774E+01 2.79107042E+00 1.95235191E-02-1.82641298E-05 3 8.22543949E-09-1.44455155E-12-1.68284106E+04 1.67639806E+01 4 O*CHOO. 9/20/ 1 C 1H 1O 3 0G 300.000 5000.000 1368.000 11 7.24075139E+00 4.63312951E-03-1.63693995E-06 2.59706693E-10-1.52964699E-14 2 -1.96589772E+04-6.49547212E+00 3.96059309E+00 1.06002279E-02-5.25713351E-06 3 1.01716726E-09-2.87487602E-14-1.83161537E+04 1.17807483E+01 4 O*C.OOH 9/20/ 1 C 1H 1O 3 0G 300.000 5000.000 1376.000 21 1.04602264E+01 1.78453406E-03-7.34989926E-07 1.28209043E-10-8.04196863E-15 2 -1.55889512E+04-2.41015513E+01 4.10496277E+00 1.68993442E-02-1.44014600E-05 3 5.72276412E-09-8.84621578E-13-1.34339125E+04 9.89457232E+00 4 HCOHT C 1H 2O 1 0G 300.000 5000.000 1369.000 11 5.76648692E+00 3.25236079E-03-1.14089725E-06 1.80144731E-10-1.05751022E-14 2 2.20972010E+04-3.88261566E+00 3.75820823E+00 6.59236051E-03-2.67123601E-06 3 1.47945275E-10 9.94689365E-14 2.29479399E+04 7.41334073E+00 4 HCOH C 1H 2O 1 0G 300.000 5000.000 1369.000 11 5.76648692E+00 3.25236079E-03-1.14089725E-06 1.80144731E-10-1.05751022E-14 2 9.11280237E+03-5.27164436E+00 3.75820823E+00 6.59236051E-03-2.67123601E-06 3 1.47945275E-10 9.94689365E-14 9.96354123E+03 6.02431204E+00 4 !CH2O 9/20/ 1 C 1H 2O 1 0G 300.000 5000.000 1493.000 01 ! 4.01936557E+00 5.09765759E-03-1.76321213E-06 2.75785774E-10-1.60828460E-14 2 !-1.49594677E+04 3.71182109E-01 2.98336022E+00 3.20977123E-03 4.96592054E-06 3 !-4.93125018E-09 1.22849723E-12-1.41519142E+04 7.49201577E+00 4 H2CO2 9/20/ 1 C 1H 2O 2 0G 300.000 5000.000 1376.000 11 6.68733013E+00 5.14289368E-03-1.82238513E-06 2.89719163E-10-1.70892199E-14 2 -4.83995400E+04-1.13104798E+01 1.43548185E+00 1.63363016E-02-1.06257421E-05 3 3.32132977E-09-4.02176103E-13-4.64616504E+04 1.72885798E+01 4 HCO2H 9/20/ 1 C 1H 2O 2 0G 300.000 5000.000 1376.000 11 6.68733013E+00 5.14289368E-03-1.82238513E-06 2.89719163E-10-1.70892199E-14 2 -4.83995400E+04-1.13104798E+01 1.43548185E+00 1.63363016E-02-1.06257421E-05 3 3.32132977E-09-4.02176103E-13-4.64616504E+04 1.72885798E+01 4 HCQ*O 9/20/ 1 C 1H 2O 3 0G 300.000 5000.000 1378.000 21 9.87503878E+00 4.64663708E-03-1.67230522E-06 2.68624413E-10-1.59595232E-14 2 -3.80502496E+04-2.24939155E+01 2.42464726E+00 2.19706380E-02-1.68705546E-05 3 6.25612194E-09-9.11645843E-13-3.54828006E+04 1.75027796E+01 4 CH3O 9/20/ 1 C 1H 3O 1 0G 300.000 5000.000 1517.000 01 4.82325219E+00 6.79903864E-03-2.31857735E-06 3.59551512E-10-2.08529868E-14 2 -4.12317269E+02-2.67097008E+00 2.54715655E+00 7.00380553E-03 3.54758278E-06 3 -5.01100291E-09 1.34144130E-12 9.00149389E+02 1.13857536E+01 4 CH2OH 9/20/ 1 C 1H 3O 1 0G 300.000 5000.000 1401.000 11 5.86215864E+00 5.05364867E-03-1.62043757E-06 2.40631137E-10-1.35277830E-14 2 -4.28449298E+03-5.89849777E+00 2.49772010E+00 1.43138410E-02-1.16464935E-05 3 5.22575348E-09-9.57928395E-13-3.25063723E+03 1.16828031E+01 4 CH3O. 9/20/ 1 C 1H 3O 1 0G 300.000 5000.000 1517.000 01 4.82325219E+00 6.79903864E-03-2.31857735E-06 3.59551512E-10-2.08529868E-14 2 -4.12317269E+02-2.67097008E+00 2.54715655E+00 7.00380553E-03 3.54758278E-06 3 -5.01100291E-09 1.34144130E-12 9.00149389E+02 1.13857536E+01 4 C.H2OH 9/20/ 1 C 1H 3O 1 0G 300.000 5000.000 1401.000 11 5.86215864E+00 5.05364867E-03-1.62043757E-06 2.40631137E-10-1.35277830E-14 2 -4.28449298E+03-5.89849777E+00 2.49772010E+00 1.43138410E-02-1.16464935E-05 3 5.22575348E-09-9.57928395E-13-3.25063723E+03 1.16828031E+01 4 CH3OO 9/20/ 1 C 1H 3O 2 0G 300.000 5000.000 1390.000 11 6.77965640E+00 7.32838949E-03-2.51109479E-06 3.90250367E-10-2.26549869E-14 2 -1.70934449E+03-8.63129853E+00 2.47057020E+00 1.62787057E-02-9.41908061E-06 3 2.75740591E-09-3.28635586E-13-7.37094355E+01 1.49527974E+01 4 CH3OO. 9/20/ 1 C 1H 3O 2 0G 300.000 5000.000 1390.000 11 6.77965640E+00 7.32838949E-03-2.51109479E-06 3.90250367E-10-2.26549869E-14 2 -1.70934449E+03-8.63129853E+00 2.47057020E+00 1.62787057E-02-9.41908061E-06 3 2.75740591E-09-3.28635586E-13-7.37094355E+01 1.49527974E+01 4 CH2OOH 9/20/ 1 C 1H 3O 2 0G 300.000 5000.000 1394.000 21 9.98306707E+00 4.46637686E-03-1.58950806E-06 2.53471314E-10-1.49844435E-14 2 3.38251745E+03-2.57217674E+01 2.76385887E+00 2.18770417E-02-1.74872976E-05 3 6.77796876E-09-1.02980015E-12 5.79359496E+03 1.27876125E+01 4 C.OOH 9/20/ 1 C 1H 3O 2 0G 300.000 5000.000 1394.000 21 9.98306707E+00 4.46637686E-03-1.58950806E-06 2.53471314E-10-1.49844435E-14 2 3.38251745E+03-2.57217674E+01 2.76385887E+00 2.18770417E-02-1.74872976E-05 3 6.77796876E-09-1.02980015E-12 5.79359496E+03 1.27876125E+01 4 HOCH2O. 9/20/ 1 C 1H 3O 2 0G 300.000 5000.000 1452.000 11 6.39521515E+00 7.43673043E-03-2.50422354E-06 3.84879712E-10-2.21778689E-14 2 -2.25557758E+04-6.63865583E+00 4.11183145E+00 7.53850697E-03 3.77337370E-06 3 -5.38746005E-09 1.45615887E-12-2.12471918E+04 7.46807254E+00 4 TYCOOH C 1H 3O 2 0G 300.000 5000.000 1414.000 01 7.04169642E+00 6.95325678E-03-2.26333133E-06 3.39957054E-10-1.92778997E-14 2 1.84228849E+04-1.15158022E+01 1.43075862E+00 1.99686491E-02-1.34103143E-05 3 4.48851913E-09-5.78154462E-13 2.03357678E+04 1.85757993E+01 4 CQH2O. 9/20/ 1 C 1H 3O 3 0G 300.000 5000.000 1681.000 21 9.36905880E+00 8.14727940E-03-3.02885434E-06 4.98667715E-10-3.01724472E-14 2 -1.61924851E+04-1.94659445E+01 4.77594042E+00 1.59745575E-02-6.28232747E-06 3 4.38332993E-11 3.19155962E-13-1.44088447E+04 6.10975198E+00 4 C.QOH 9/20/ 1 C 1H 3O 3 0G 300.000 5000.000 1678.000 31 9.03122537E+00 7.88070628E-03-2.90294500E-06 4.75000186E-10-2.86165343E-14 2 -1.99292046E+04-1.43333853E+01 6.83338514E+00 9.13261205E-03 4.95104100E-07 3 -2.92607065E-09 8.03671821E-13-1.88287729E+04-1.19149400E+00 4 HOC.HQ 9/20/ 1 C 1H 3O 3 0G 300.000 5000.000 1362.000 31 1.04462534E+01 6.24272521E-03-2.21216462E-06 3.51664464E-10-2.07413931E-14 2 -2.16052416E+04-2.40443437E+01 6.14544845E+00 1.32809943E-02-5.28295897E-06 3 1.65031539E-10 2.35759651E-13-1.97693816E+04 1.91936415E-01 4 CQ.H2OH 9/20/ 1 C 1H 3O 3 0G 300.000 5000.000 1356.000 21 7.84213104E+00 8.76939991E-03-3.05749476E-06 4.80724855E-10-2.81343081E-14 2 -2.47265404E+04-9.97112395E+00 6.01968895E+00 7.10900672E-03 4.74047886E-06 3 -5.52595346E-09 1.36556552E-12-2.34105926E+04 2.06934585E+00 4 HC(OH)2O. 9/20/ 1 C 1H 3O 3 0G 300.000 5000.000 1450.000 21 8.57818589E+00 8.15362007E-03-2.85261536E-06 4.49955812E-10-2.64049969E-14 2 -4.56852289E+04-1.61486764E+01 6.33626548E+00 3.05917529E-03 1.42140518E-05 3 -1.27848395E-08 3.16193138E-12-4.38833524E+04-4.57617769E-01 4 !CH3OH 9/20/ 1 C 1H 4O 1 0G 300.000 5000.000 1538.000 11 ! 5.00650515E+00 8.40260241E-03-2.79423179E-06 4.25955814E-10-2.44090469E-14 2 !-2.67169364E+04-3.51536294E+00 2.18096097E+00 1.03947449E-02 9.27266743E-07 3 !-3.82338608E-09 1.12261238E-12-2.52704543E+04 1.33023605E+01 4 CH3OOH 9/20/ 1 C 1H 4O 2 0G 300.000 5000.000 1396.000 21 9.25426562E+00 7.46905628E-03-2.58837285E-06 4.05500411E-10-2.36780281E-14 2 -2.00259103E+04-2.36755949E+01 1.53732075E+00 2.50457850E-02-1.75170775E-05 3 6.00405987E-09-8.02551712E-13-1.73316548E+04 1.78776350E+01 4 HOCH2OH 9/20/ 1 C 1H 4O 2 0G 300.000 5000.000 1461.000 21 6.53986462E+00 9.17644538E-03-3.04833711E-06 4.64106145E-10-2.65638891E-14 2 -4.88658947E+04-7.31174441E+00 4.01362720E+00 9.74748431E-03 2.89202107E-06 3 -5.19976459E-09 1.43850368E-12-4.74586451E+04 8.14132014E+00 4 CQH2OH 9/20/ 1 C 1H 4O 3 0G 300.000 5000.000 1363.000 31 1.03879259E+01 8.85722359E-03-3.11804702E-06 4.93506162E-10-2.90188983E-14 2 -4.30587978E+04-2.54034372E+01 4.89570207E+00 1.70321234E-02-5.17672112E-06 3 -1.14103010E-09 6.41257730E-13-4.06491106E+04 5.80755201E+00 4 HOCH2Q 9/20/ 1 C 1H 4O 3 0G 300.000 5000.000 1363.000 31 1.03879259E+01 8.85722359E-03-3.11804702E-06 4.93506162E-10-2.90188983E-14 2 -4.30587978E+04-2.54034372E+01 4.89570207E+00 1.70321234E-02-5.17672112E-06 3 -1.14103010E-09 6.41257730E-13-4.06491106E+04 5.80755201E+00 4 HC(OH)3 9/20/ 1 C 1H 4O 3 0G 300.000 5000.000 1430.000 31 8.59740149E+00 9.39750961E-03-3.09574736E-06 4.68908130E-10-2.67506143E-14 2 -7.17040283E+04-1.55496484E+01 5.26008990E+00 1.12964885E-02 2.60572095E-06 3 -5.67577332E-09 1.63078942E-12-6.99893556E+04 4.40898951E+00 4 HC@C. 9/20/ 1 C 2H 1 0 0G 300.000 5000.000 1361.000 01 4.66893822E+00 2.01284720E-03-7.01828634E-07 1.10347228E-10-6.45790465E-15 2 6.60310696E+04-1.55973259E+00 4.27708350E+00 1.74130076E-03 7.31180206E-07 3 -9.71827901E-10 2.36956727E-13 6.63125955E+04 1.01085626E+00 4 !C2H 9/20/ 1 C 2H 1 0 0G 300.000 5000.000 1361.000 01 ! 4.66893822E+00 2.01284720E-03-7.01828634E-07 1.10347228E-10-6.45790465E-15 2 ! 6.60310696E+04-1.55973259E+00 4.27708350E+00 1.74130076E-03 7.31180206E-07 3 !-9.71827901E-10 2.36956727E-13 6.63125955E+04 1.01085626E+00 4 C.*C*O 9/20/ 1 C 2H 1O 1 0G 300.000 5000.000 1420.000 01 7.08844349E+00 2.47836871E-03-7.66266424E-07 1.10686351E-10-6.09327677E-15 2 1.83359290E+04-1.12572855E+01 2.76123658E+00 1.68803861E-02-1.86395238E-05 3 9.82647374E-09-1.94988258E-12 1.93879371E+04 1.04230847E+01 4 C@COO 9/20/ 1 C 2H 1O 2 0G 300.000 5000.000 1390.000 11 9.15121164E+00 2.94635830E-03-1.04064577E-06 1.65106037E-10-9.72595514E-15 2 3.85198765E+04-1.89239669E+01 4.58700011E+00 1.50953654E-02-1.37412822E-05 3 6.28891820E-09-1.14293459E-12 3.99582265E+04 5.06532580E+00 4 C.@COOH 9/20/ 1 C 2H 1O 2 0G 300.000 5000.000 1401.000 21 1.05924805E+01 1.30944057E-03-4.78928972E-07 7.77567678E-11-4.65405610E-15 2 6.15404220E+04-2.57047454E+01 4.38185449E+00 2.06395164E-02-2.34762536E-05 3 1.22849144E-08-2.41860528E-12 6.31995179E+04 5.91459267E+00 4 C.*OCHO 9/20/ 1 C 2H 1O 2 0G 300.000 5000.000 1395.000 11 8.96029336E+00 3.26238719E-03-1.18626470E-06 1.91853801E-10-1.14524674E-14 2 -1.23258523E+04-2.22273053E+01 1.30172106E+00 2.21030005E-02-1.86519070E-05 3 7.42450382E-09-1.13900085E-12-9.82580218E+03 1.84600400E+01 4 CQ.*C*O 9/20/ 1 C 2H 1O 3 0G 300.000 5000.000 1407.000 11 1.09645826E+01 3.56165617E-03-1.16557413E-06 1.75472176E-10-9.95860579E-15 2 -2.06921969E+03-2.55914989E+01 3.12465194E+00 3.07107569E-02-3.62307815E-05 3 1.99336681E-08-4.08649594E-12-2.17300523E+02 1.34008559E+01 4 C.Q*C*O 9/20/ 1 C 2H 1O 3 0G 300.000 5000.000 1398.000 21 1.25904166E+01 2.18973853E-03-7.89339412E-07 1.26935935E-10-7.54771725E-15 2 2.26606312E+03-3.28516920E+01 6.81809838E+00 1.84695553E-02-1.85801379E-05 3 8.95434145E-09-1.66610747E-12 3.97192510E+03-2.87371899E+00 4 CHOCO2 9/20/ 1 C 2H 1O 3 0G 300.000 5000.000 1449.000 11 1.13821145E+01 3.82382732E-03-1.39689400E-06 2.26610145E-10-1.35558014E-14 2 -3.53199882E+04-3.27539105E+01 1.30718630E+00 2.82274367E-02-2.32889585E-05 3 8.81035850E-09-1.24663730E-12-3.20241216E+04 2.08533381E+01 4 C.*OCO2H 9/20/ 1 C 2H 1O 3 0G 300.000 5000.000 1393.000 21 1.26543775E+01 2.65223476E-03-1.07567623E-06 1.85752789E-10-1.15708761E-14 2 -3.99010514E+04-4.07520356E+01 6.29824414E-01 3.51603680E-02-3.50598760E-05 3 1.63633670E-08-2.94448086E-12-3.62226270E+04 2.21693403E+01 4 C@C 9/20/ 1 C 2H 2 0 0G 300.000 5000.000 1407.000 01 4.98265164E+00 4.25992930E-03-1.37483523E-06 2.04717964E-10-1.15191740E-14 2 2.52697118E+04-5.81321385E+00 2.06742667E+00 1.46568506E-02-1.52947063E-05 3 8.30965761E-09-1.72932175E-12 2.59578589E+04 8.62758672E+00 4 !C2H2 9/20/ 1 C 2H 2 0 0G 300.000 5000.000 1407.000 01 ! 4.98265164E+00 4.25992930E-03-1.37483523E-06 2.04717964E-10-1.15191740E-14 2 ! 2.52697118E+04-5.81321385E+00 2.06742667E+00 1.46568506E-02-1.52947063E-05 3 ! 8.30965761E-09-1.72932175E-12 2.59578589E+04 8.62758672E+00 4 HCCH C 2H 2 0 0G 300.000 5000.000 1393.000 01 5.20024827E+00 4.39873659E-03-1.49369523E-06 2.30617069E-10-1.33230412E-14 2 2.52593484E+04-7.25051864E+00 2.54832299E+00 1.26014981E-02-1.18367580E-05 3 6.18956660E-09-1.29117704E-12 2.60453453E+04 6.38977034E+00 4 HC@COH 9/20/ 1 C 2H 2O 1 0G 300.000 5000.000 1414.000 11 7.78046107E+00 3.98823721E-03-1.37608395E-06 2.15210548E-10-1.25595296E-14 2 7.12126571E+03-1.73236290E+01 3.84626160E+00 1.04968036E-02-3.49921037E-06 3 -9.50772047E-10 5.55894222E-13 8.70105089E+03 4.66581655E+00 4 C*C*O 9/20/ 1 C 2H 2O 1 0G 300.000 5000.000 1404.000 01 7.33562292E+00 4.70677388E-03-1.60119548E-06 2.47655930E-10-1.43297435E-14 2 -8.84885922E+03-1.52277948E+01 1.47877079E+00 2.18377259E-02-2.11568697E-05 3 1.03758594E-08-1.99010265E-12-7.15256423E+03 1.50154061E+01 4 HCJJCHOT C 2H 2O 1 0G 300.000 5000.000 1397.000 01 6.88724888E+00 5.06232019E-03-1.71802267E-06 2.65267283E-10-1.53293268E-14 2 2.81825315E+04-9.83328951E+00 3.02620663E+00 1.49661645E-02-1.18098761E-05 3 5.06673152E-09-9.00125086E-13 2.94533084E+04 1.06196324E+01 4 C@COOH 9/20/ 1 C 2H 2O 2 0G 300.000 5000.000 1398.000 21 1.16108796E+01 3.11362387E-03-1.13002371E-06 1.82537390E-10-1.08874719E-14 2 2.02043258E+04-3.38950813E+01 3.62453996E+00 2.39244666E-02-2.18895992E-05 3 9.55772373E-09-1.62098494E-12 2.27066364E+04 8.14015133E+00 4 CHOCHO 9/20/ 1 C 2H 2O 2 0G 300.000 5000.000 1386.000 11 9.75438561E+00 4.97645947E-03-1.74410483E-06 2.75586994E-10-1.61969892E-14 2 -2.95832896E+04-2.61878329E+01 1.88105120E+00 2.36386368E-02-1.83443295E-05 3 6.84842963E-09-9.92733674E-13-2.69280190E+04 1.59154793E+01 4 O*CC*O 9/20/ 1 C 2H 2O 2 0G 300.000 5000.000 1386.000 11 9.75438561E+00 4.97645947E-03-1.74410483E-06 2.75586994E-10-1.61969892E-14 2 -2.95832896E+04-2.61878329E+01 1.88105120E+00 2.36386368E-02-1.83443295E-05 3 6.84842963E-09-9.92733674E-13-2.69280190E+04 1.59154793E+01 4 CQ*C*O 9/20/ 1 C 2H 2O 3 0G 300.000 5000.000 1410.000 21 1.33933429E+01 3.79948018E-03-1.28883450E-06 1.99165711E-10-1.15234899E-14 2 -2.03809867E+04-4.04057740E+01 2.19732495E+00 3.94106263E-02-4.42573719E-05 3 2.31881380E-08-4.57390986E-12-1.74746643E+04 1.63087722E+01 4 CHOCO2H 9/20/ 1 C 2H 2O 3 0G 300.000 5000.000 1382.000 21 1.14689677E+01 5.89693440E-03-2.11675164E-06 3.39429904E-10-2.01420949E-14 2 -6.15972033E+04-3.30781675E+01 1.88637166E+00 2.92742149E-02-2.41110944E-05 3 9.83099097E-09-1.60204846E-12-5.83878922E+04 1.80042791E+01 4 !C2H3 9/20/ 1 C 2H 3 0 0G 300.000 5000.000 1395.000 01 ! 5.07331248E+00 6.58316278E-03-2.23762924E-06 3.45803379E-10-1.99940490E-14 2 ! 3.37134093E+04-3.39792712E+00 1.25329724E+00 1.56258370E-02-1.07803879E-05 3 ! 4.18054634E-09-7.01360362E-13 3.50634118E+04 1.71341661E+01 4 CC.*O 9/20/ 1 C 2H 3O 1 0G 300.000 5000.000 1374.000 11 6.40228885E+00 7.80287567E-03-2.70966775E-06 4.24946543E-10-2.48270145E-14 2 -4.10405693E+03-7.95036539E+00 2.32368378E+00 1.45390891E-02-5.80957224E-06 3 4.06427876E-10 1.78105356E-13-2.36055079E+03 1.50252758E+01 4 C.CHO 9/20/ 1 C 2H 3O 1 0G 300.000 5000.000 1388.000 11 8.12334900E+00 6.42551992E-03-2.25446877E-06 3.56067462E-10-2.09075396E-14 2 -1.37671288E+03-1.95574732E+01 9.31100809E-01 2.39342399E-02-1.88900360E-05 3 7.68934631E-09-1.27920924E-12 1.06051351E+03 1.88364364E+01 4 CH3C.*O 9/20/ 1 C 2H 3O 1 0G 300.000 5000.000 1374.000 11 6.40228885E+00 7.80287567E-03-2.70966775E-06 4.24946543E-10-2.48270145E-14 2 -4.10405693E+03-7.95036539E+00 2.32368378E+00 1.45390891E-02-5.80957224E-06 3 4.06427876E-10 1.78105356E-13-2.36055079E+03 1.50252758E+01 4 C.C*O 9/20/ 1 C 2H 3O 1 0G 300.000 5000.000 1388.000 11 8.12334900E+00 6.42551992E-03-2.25446877E-06 3.56067462E-10-2.09075396E-14 2 -1.37671288E+03-1.95574732E+01 9.31100809E-01 2.39342399E-02-1.88900360E-05 3 7.68934631E-09-1.27920924E-12 1.06051351E+03 1.88364364E+01 4 CH2*C.OH 9/20/ 1 C 2H 3O 1 0G 300.000 5000.000 1413.000 11 1.00479789E+01 4.15507606E-03-1.33466652E-06 1.98566067E-10-1.11822295E-14 2 8.55987398E+03-2.94372796E+01-1.77924166E+00 4.33163748E-02-4.99282491E-05 3 2.66858736E-08-5.33237199E-12 1.14721920E+04 2.99211280E+01 4 C*CO. 9/20/ 1 C 2H 3O 1 0G 300.000 5000.000 1410.000 01 9.31100866E+00 5.52463829E-03-1.87396974E-06 2.89438632E-10-1.67360411E-14 2 2.99389601E+03-2.74841617E+01-2.29083587E+00 4.10897069E-02-4.35940495E-05 3 2.21586579E-08-4.29388105E-12 6.14020250E+03 3.17615608E+01 4 C*COO.M C 2H 3O 2 0G 300.000 5000.000 1402.000 01 9.33221389E+00 8.01938616E-03-2.72638463E-06 4.21618809E-10-2.43961862E-14 2 8.24767748E+03-2.32800031E+01 7.42387074E-01 3.06087191E-02-2.58793421E-05 3 1.13086542E-08-1.98453490E-12 1.09656383E+04 2.19359982E+01 4 C*COO.MJ C 2H 3O 2 0G 300.000 5000.000 1403.000 01 1.06661281E+01 6.91359432E-03-2.35810754E-06 3.66054569E-10-2.12554799E-14 2 7.87618714E+03-3.01511078E+01 5.49243092E-01 3.12315841E-02-2.41837978E-05 3 9.01944762E-09-1.29551228E-12 1.12313612E+04 2.37907261E+01 4 C*COO. 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1399.000 11 8.78939895E+00 8.01495530E-03-2.71284066E-06 4.18015829E-10-2.41186790E-14 2 1.03602148E+04-1.68917763E+01 1.82430782E+00 2.86909175E-02-2.70757942E-05 3 1.35189006E-08-2.67356183E-12 1.24006599E+04 1.90558588E+01 4 C.*COOHM C 2H 3O 2 0G 300.000 5000.000 1407.000 01 1.02075435E+01 6.95484887E-03-2.28684726E-06 3.45370934E-10-1.96439534E-14 2 2.11323528E+04-2.40014196E+01 1.67202120E+00 3.47596665E-02-3.68586346E-05 3 1.93928929E-08-3.89820544E-12 2.33337612E+04 1.90882970E+01 4 C.*COOH 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1402.000 21 1.11671360E+01 5.70343868E-03-1.94719734E-06 3.01995165E-10-1.75103350E-14 2 2.21464422E+04-2.95289575E+01 1.72617841E+00 3.42525154E-02-3.53738146E-05 3 1.79208398E-08-3.49486914E-12 2.47791770E+04 1.88771508E+01 4 C*C.OOH 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1401.000 21 1.11362861E+01 5.66387958E-03-1.92045145E-06 2.96567492E-10-1.71470307E-14 2 1.85431319E+04-2.90766020E+01 2.41592213E+00 3.11665051E-02-3.08993353E-05 3 1.52078911E-08-2.90697715E-12 2.10526923E+04 1.59278311E+01 4 O*CCO. 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 2012.000 11 7.75658154E+00 9.42590384E-03-3.35390835E-06 5.37077330E-10-3.18998632E-14 2 -1.41427103E+04-1.18532365E+01 4.29564295E+00 1.48156296E-02-4.86101370E-06 3 -3.71603225E-10 3.41477574E-13-1.27361970E+04 7.61743447E+00 4 CCO2 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1395.000 11 8.54059736E+00 8.32951214E-03-2.84722010E-06 4.41927196E-10-2.56373394E-14 2 -2.97290678E+04-2.10778361E+01 1.37440768E+00 2.49115604E-02-1.74308894E-05 3 6.24799508E-09-9.09516835E-13-2.72330150E+04 1.74510638E+01 4 C.CO2H 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1391.000 21 1.13605678E+01 5.92562586E-03-2.11175061E-06 3.37028135E-10-1.99344655E-14 2 -3.32674953E+04-3.75393249E+01 1.33706331E+00 3.19015446E-02-2.83308563E-05 3 1.25035464E-08-2.18975202E-12-3.00599991E+04 1.53572525E+01 4 COHC.*O 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1998.000 21 7.54981456E+00 9.00553092E-03-3.16750681E-06 5.03363105E-10-2.97405506E-14 2 -1.85261830E+04-9.04320937E+00 4.99355666E+00 1.21288633E-02-2.55936022E-06 3 -1.28427191E-09 4.81444031E-13-1.74030967E+04 5.64598840E+00 4 C.OHCHO 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1376.000 21 8.76337147E+00 7.88662882E-03-2.73166696E-06 4.27717992E-10-2.49633446E-14 2 -1.99913171E+04-1.81607534E+01 3.66680989E+00 1.71888091E-02-8.08900469E-06 3 1.20564194E-09 9.03659891E-14-1.79432148E+04 1.01647668E+01 4 CO.CHO 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 2012.000 11 7.75658154E+00 9.42590384E-03-3.35390835E-06 5.37077330E-10-3.18998632E-14 2 -1.41427103E+04-1.18532365E+01 4.29564295E+00 1.48156296E-02-4.86101370E-06 3 -3.71603225E-10 3.41477574E-13-1.27361970E+04 7.61743447E+00 4 C.OCHO 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1383.000 21 1.06320417E+01 6.50029945E-03-2.29922015E-06 3.65088537E-10-2.15171032E-14 2 -2.43262474E+04-2.71487429E+01 3.27798550E+00 2.36793312E-02-1.78164402E-05 3 6.84518045E-09-1.07835142E-12-2.17595968E+04 1.23698309E+01 4 C.OCHOM C 2H 3O 2 0G 300.000 5000.000 1397.000 01 9.61965203E+00 7.84669488E-03-2.68142275E-06 4.16027480E-10-2.41253994E-14 2 -1.82088723E+04-2.39578584E+01 2.32886310E+00 2.67621261E-02-2.20293888E-05 3 9.59132759E-09-1.70183016E-12-1.58492882E+04 1.45566056E+01 4 COC.*O 9/20/ 1 C 2H 3O 2 0G 300.000 5000.000 1601.000 21 9.73659803E+00 7.42432713E-03-2.65641779E-06 4.25031143E-10-2.51824924E-14 2 -2.53126944E+04-2.34944311E+01 4.16215406E+00 1.38037511E-02-3.08486109E-07 3 -4.56430814E-09 1.46909632E-12-2.27241524E+04 8.78392639E+00 4 TCJYCOO C 2H 3O 2 0G 300.000 5000.000 1420.000 01 8.54946787E+00 7.91519043E-03-2.52975098E-06 3.74894214E-10-2.10479767E-14 2 2.16345017E+04-1.86317241E+01 1.47247712E+00 2.67626703E-02-2.17448680E-05 3 9.22040478E-09-1.56275005E-12 2.38103128E+04 1.84699260E+01 4 TMCJYCOO C 2H 3O 2 0G 300.000 5000.000 1422.000 01 8.35600778E+00 8.01997791E-03-2.55302807E-06 3.77208972E-10-2.11300340E-14 2 2.09347658E+04-1.80709600E+01 1.25214504E+00 2.72164483E-02-2.24208697E-05 3 9.65691124E-09-1.66022955E-12 2.30909866E+04 1.90728448E+01 4 TYVOOJXQ C 2H 3O 2 0G 300.000 5000.000 1393.000 01 9.33563616E+00 7.86332980E-03-3.02757562E-06 5.35203599E-10-3.41597744E-14 2 3.02257955E+04-2.23665333E+01 1.57175254E+00 2.81431027E-02-2.36537290E-05 3 1.01675116E-08-1.76002743E-12 3.26926725E+04 1.85459301E+01 4 TCJDCXQ C 2H 3O 2 0G 300.000 5000.000 1401.000 01 1.16754906E+01 5.97989157E-03-2.01203820E-06 3.08989689E-10-1.77926445E-14 2 3.35535987E+04-2.89888496E+01 4.13504297E+00 2.78684642E-02-2.67893644E-05 3 1.30438393E-08-2.48674808E-12 3.57475963E+04 9.99668939E+00 4 TMVOOJXQ C 2H 3O 2 0G 300.000 5000.000 1394.000 01 9.42114461E+00 8.11797713E-03-3.31738451E-06 6.09200299E-10-3.96864898E-14 2 2.96538365E+04-2.35074555E+01 1.79980190E+00 2.86185182E-02-2.46980265E-05 3 1.07866840E-08-1.88765016E-12 3.20026535E+04 1.64213387E+01 4 TC*CXO2 C 2H 3O 2 0G 300.000 5000.000 1428.000 01 7.88756375E+00 7.97740413E-03-2.44155974E-06 3.49768035E-10-1.91267947E-14 2 3.29685833E+04-9.76708665E+00 2.76504330E+00 2.40435159E-02-2.15143569E-05 3 1.03808419E-08-1.97596046E-12 3.43116626E+04 1.62447038E+01 4 TYCDCOOHS C 2H 3O 2 0G 300.000 5000.000 1028.000 01 6.26961095E+00 1.14464027E-02-3.36566149E-06 2.54212853E-10 8.61434269E-15 2 3.10041636E+04-5.00521175E+00-1.84058676E+00 4.53385716E-02-5.24449249E-05 3 3.12810015E-08-7.66675811E-12 3.23056481E+04 3.32413388E+01 4 TMYCCOOHS C 2H 3O 2 0G 300.000 5000.000 1419.000 01 9.41333249E+00 7.36304215E-03-2.37898958E-06 3.55465966E-10-2.00820176E-14 2 2.85821110E+04-2.39448894E+01 2.67517794E-01 3.26375625E-02-2.91153527E-05 3 1.31002547E-08-2.31348881E-12 3.12989179E+04 2.36721583E+01 4 TC*COXO C 2H 3O 2 0G 300.000 5000.000 1394.000 01 8.84456262E+00 8.41079555E-03-3.37376286E-06 6.15261765E-10-4.00462397E-14 2 2.77110911E+04-2.01919047E+01 9.75489244E-01 2.92904442E-02-2.49039377E-05 3 1.07775817E-08-1.87456049E-12 3.01720743E+04 2.11482510E+01 4 TMC*COXO C 2H 3O 2 0G 300.000 5000.000 1393.000 01 9.00644477E+00 7.66168633E-03-2.77023121E-06 4.72404822E-10-2.96546677E-14 2 2.77571733E+04-1.93086682E+01 2.26010443E+00 2.46438725E-02-1.94584909E-05 3 8.04746022E-09-1.35831675E-12 2.99777969E+04 1.64901901E+01 4 TCJOXHCO C 2H 3O 2 0G 300.000 5000.000 1392.000 11 8.50207705E+00 7.38703344E-03-2.48250045E-06 3.98838166E-10-2.41043741E-14 2 -7.85042644E+03-1.53572096E+01 2.93019171E+00 2.09166651E-02-1.53031638E-05 3 6.03327127E-09-9.87355513E-13-5.95737672E+03 1.44010440E+01 4 TYCOCOJ C 2H 3O 2 0G 300.000 5000.000 1415.000 01 8.24408149E+00 8.21547651E-03-2.64254775E-06 3.93474233E-10-2.21696623E-14 2 2.52200667E+04-1.76059377E+01 7.62637130E-01 2.78608969E-02-2.24055990E-05 3 9.38538417E-09-1.57427070E-12 2.75518818E+04 2.17215985E+01 4 TMYCOCOJ C 2H 3O 2 0G 300.000 5000.000 1421.000 01 8.43820711E+00 8.00489157E-03-2.55969176E-06 3.79467761E-10-2.13103595E-14 2 2.45097211E+04-1.83389685E+01 1.69113172E+00 2.55650147E-02-2.00059305E-05 3 8.19619692E-09-1.34732395E-12 2.66233619E+04 1.71753423E+01 4 TMYCCJOO C 2H 3O 2 0G 300.000 5000.000 1404.000 01 7.63108384E+00 9.11228808E-03-3.02151481E-06 4.58841476E-10-2.61955881E-14 2 3.14201943E+04-1.44469893E+01-1.07614573E+00 3.83540308E-02-4.06210932E-05 3 2.18073637E-08-4.48232162E-12 3.36345956E+04 2.92921948E+01 4 HC*OC.OOH 9/20/ 1 C 2H 3O 3 0G 300.000 5000.000 1382.000 31 1.47713549E+01 5.22699555E-03-1.88867303E-06 3.04179637E-10-1.81049733E-14 2 -1.19998204E+04-4.73354868E+01 4.81855977E+00 2.96957986E-02-2.49521472E-05 3 1.02074277E-08-1.65017420E-12-8.70545594E+03 5.61999912E+00 4 HC*OCOO. 9/20/ 1 C 2H 3O 3 0G 300.000 5000.000 1378.000 01 9.16778862E+00 1.08697616E-02-3.74221876E-06 5.83306430E-10-3.39285051E-14 2 -1.63756587E+04-1.50758401E+01 6.10991074E+00 1.53430929E-02-5.83182929E-06 3 1.00494282E-09-1.00963059E-13-1.48999345E+04 2.54007013E+00 4 C.*OCOOH 9/20/ 1 C 2H 3O 3 0G 300.000 5000.000 1386.000 01 1.30327262E+01 7.77912588E-03-2.72145128E-06 4.28923487E-10-2.51468716E-14 2 -1.13254785E+04-3.75508776E+01 5.37620441E+00 2.76151782E-02-2.34588378E-05 3 1.06589354E-08-1.98636515E-12-8.79316718E+03 2.99340444E+00 4 O*COO.C 9/20/ 1 C 2H 3O 3 0G 300.000 5000.000 1388.000 21 1.00445585E+01 9.31453208E-03-3.21644242E-06 5.02521765E-10-2.92821236E-14 2 -2.76684660E+04-2.29367083E+01 3.22933550E+00 2.48545949E-02-1.70606182E-05 3 6.28841346E-09-9.87028503E-13-2.52201608E+04 1.38731941E+01 4 C.CO3H 9/20/ 1 C 2H 3O 3 0G 300.000 5000.000 1381.000 41 1.27023537E+01 6.55683277E-03-2.34642285E-06 3.75500279E-10-2.22515280E-14 2 -2.01815229E+04-3.55877602E+01 3.13711533E+00 2.87210796E-02-2.17445690E-05 3 8.01034628E-09-1.16508077E-12-1.68714979E+04 1.57995027E+01 4 CCO3 9/20/ 1 C 2H 3O 3 0G 300.000 5000.000 1381.000 31 1.05867088E+01 8.62847643E-03-3.02541547E-06 4.77580880E-10-2.80311561E-14 2 -2.79246733E+04-2.60823070E+01 3.24764464E+00 2.45710681E-02-1.61964179E-05 3 5.46140339E-09-7.66127353E-13-2.52191230E+04 1.38218684E+01 4 !C2H4 9/20/ 1 C 2H 4 0 0G 300.000 5000.000 1395.000 01 ! 5.22176372E+00 8.96137303E-03-3.04868886E-06 4.71465524E-10-2.72739592E-14 2 ! 3.59383137E+03-7.47789234E+00 2.33879687E-01 1.96334647E-02-1.16833214E-05 3 ! 3.64246453E-09-4.77442715E-13 5.45482795E+03 1.97084228E+01 4 CCHO 9/20/ 1 C 2H 4O 1 0G 300.000 5000.000 1366.000 11 7.06734034E+00 9.72785577E-03-3.36197228E-06 5.25639518E-10-3.06473991E-14 2 -2.32754287E+04-1.33686458E+01 1.98023941E+00 1.69300955E-02-4.36472545E-06 3 -1.70119601E-09 7.72360943E-13-2.10195065E+04 1.56487028E+01 4 CH3CHO 9/20/ 1 C 2H 4O 1 0G 300.000 5000.000 1366.000 11 7.06734034E+00 9.72785577E-03-3.36197228E-06 5.25639518E-10-3.06473991E-14 2 -2.32754287E+04-1.33686458E+01 1.98023941E+00 1.69300955E-02-4.36472545E-06 3 -1.70119601E-09 7.72360943E-13-2.10195065E+04 1.56487028E+01 4 CH2*CHOH 9/20/ 1 C 2H 4O 1 0G 300.000 5000.000 1414.000 11 1.02099133E+01 6.53642700E-03-2.14846734E-06 3.24712985E-10-1.84892321E-14 2 -1.92120983E+04-3.24888214E+01-3.36202752E+00 4.94932524E-02-5.36946523E-05 3 2.77505712E-08-5.43295535E-12-1.56771807E+04 3.63196798E+01 4 C*COH 9/20/ 1 C 2H 4O 1 0G 300.000 5000.000 1414.000 11 1.02099133E+01 6.53642700E-03-2.14846734E-06 3.24712985E-10-1.84892321E-14 2 -1.92120983E+04-3.24888214E+01-3.36202752E+00 4.94932524E-02-5.36946523E-05 3 2.77505712E-08-5.43295535E-12-1.56771807E+04 3.63196798E+01 4 C*COOH 9/20/ 1 C 2H 4O 2 0G 300.000 5000.000 1401.000 21 1.12728270E+01 8.13686323E-03-2.78135008E-06 4.31673019E-10-2.50403741E-14 2 -7.96172802E+03-3.19901282E+01 8.22840147E-01 3.76991195E-02-3.54827966E-05 3 1.69322467E-08-3.18010378E-12-4.84524730E+03 2.23098117E+01 4 O*CCOH 9/20/ 1 C 2H 4O 2 0G 300.000 5000.000 1358.000 21 8.87306567E+00 9.92257253E-03-3.34820779E-06 5.15546009E-10-2.97527820E-14 2 -4.10084739E+04-1.82786314E+01 4.37688685E+00 1.59485358E-02-3.63672718E-06 3 -1.79212805E-09 7.41898956E-13-3.89689472E+04 7.50888268E+00 4 CCO2H 9/20/ 1 C 2H 4O 2 0G 300.000 5000.000 1391.000 21 9.47449419E+00 9.80444985E-03-3.38786485E-06 5.29625136E-10-3.08772002E-14 2 -5.63990033E+04-2.76402502E+01 9.30242392E-01 2.95406474E-02-2.08963862E-05 3 7.65637942E-09-1.15617321E-12-5.33981635E+04 1.83460667E+01 4 COHCHO 9/20/ 1 C 2H 4O 2 0G 300.000 5000.000 1358.000 21 8.87306567E+00 9.92257253E-03-3.34820779E-06 5.15546009E-10-2.97527820E-14 2 -4.10084739E+04-1.82786314E+01 4.37688685E+00 1.59485358E-02-3.63672718E-06 3 -1.79212805E-09 7.41898956E-13-3.89689472E+04 7.50888268E+00 4 COCHO 9/20/ 1 C 2H 4O 2 0G 300.000 5000.000 1686.000 21 8.69123518E+00 1.15503122E-02-4.27782486E-06 7.02533059E-10-4.24333552E-14 2 -4.64868040E+04-1.88294935E+01 3.08839783E+00 2.03760048E-02-6.84777040E-06 3 -7.28186203E-10 5.62130216E-13-4.42358439E+04 1.26371262E+01 4 HC*OCOOH 9/20/ 1 C 2H 4O 3 0G 300.000 5000.000 1363.000 31 1.20205047E+01 1.01452542E-02-3.59185818E-06 5.70655964E-10-3.36439323E-14 2 -3.50228514E+04-3.25428319E+01 4.98086137E+00 2.17447056E-02-8.71607578E-06 3 2.89680360E-10 3.89596802E-13-3.20330536E+04 7.08712281E+00 4 O*COOHC 9/20/ 1 C 2H 4O 3 0G 300.000 5000.000 1391.000 31 1.25060485E+01 9.47789695E-03-3.30402246E-06 5.19630793E-10-3.04233568E-14 2 -4.59856703E+04-3.79195947E+01 2.24135876E+00 3.37963514E-02-2.53887482E-05 3 9.67583587E-09-1.49266157E-12-4.24677831E+04 1.70668133E+01 4 O*CCQ 9/20/ 1 C 2H 4O 3 0G 300.000 5000.000 1363.000 31 1.20205047E+01 1.01452542E-02-3.59185818E-06 5.70655964E-10-3.36439323E-14 2 -3.50228514E+04-3.25428319E+01 4.98086137E+00 2.17447056E-02-8.71607578E-06 3 2.89680360E-10 3.89596802E-13-3.20330536E+04 7.08712281E+00 4 CCO3H 9/20/ 1 C 2H 4O 3 0G 300.000 5000.000 1383.000 41 1.30485114E+01 8.80537701E-03-3.12080151E-06 4.96241632E-10-2.92764310E-14 2 -4.62517219E+04-4.10881219E+01 2.26578881E+00 3.33799537E-02-2.42470181E-05 3 8.65933779E-09-1.22909671E-12-4.24647621E+04 1.70094832E+01 4 CC. 9/20/ 1 C 2H 5 0 0G 300.000 5000.000 1383.000 11 5.68033750E+00 1.07913775E-02-3.70140036E-06 5.75597858E-10-3.34286988E-14 2 1.13192201E+04-7.16648032E+00 7.56318253E-01 1.94709552E-02-8.63779469E-06 3 1.40461180E-09 1.27735019E-14 1.33761720E+04 2.03878764E+01 4 !C2H5 9/20/ 1 C 2H 5 0 0G 300.000 5000.000 1383.000 11 ! 5.68033750E+00 1.07913775E-02-3.70140036E-06 5.75597858E-10-3.34286988E-14 2 ! 1.13192201E+04-7.16648032E+00 7.56318253E-01 1.94709552E-02-8.63779469E-06 3 ! 1.40461180E-09 1.27735019E-14 1.33761720E+04 2.03878764E+01 4 CCO. 9/20/ 1 C 2H 5O 1 0G 300.000 5000.000 1389.000 11 7.87339772E+00 1.13072907E-02-3.84421421E-06 5.94414105E-10-3.43894538E-14 2 -6.07274953E+03-1.73416790E+01 4.94420708E-01 2.71774434E-02-1.65909010E-05 3 5.15204200E-09-6.48496915E-13-3.35252925E+03 2.28079378E+01 4 CC.OH 9/20/ 1 C 2H 5O 1 0G 300.000 5000.000 1392.000 21 7.83524517E+00 1.08808198E-02-3.68694127E-06 5.68601361E-10-3.28288951E-14 2 -1.08591180E+04-1.53495702E+01 1.91496477E+00 2.45693145E-02-1.63075399E-05 3 6.12282361E-09-1.00784363E-12-8.72730247E+03 1.65987309E+01 4 C.COH 9/20/ 1 C 2H 5O 1 0G 300.000 5000.000 1391.000 21 7.52241939E+00 1.10492715E-02-3.72576465E-06 5.72827397E-10-3.30061759E-14 2 -7.29333590E+03-1.24958732E+01 1.17714711E+00 2.48115685E-02-1.50299503E-05 3 4.79006785E-09-6.40994211E-13-4.95369043E+03 2.20081586E+01 4 C.OC 9/20/ 1 C 2H 5O 1 0G 300.000 5000.000 1391.000 21 8.50134374E+00 1.05298924E-02-3.61301530E-06 5.61938200E-10-3.26372147E-14 2 -3.14450325E+03-1.98569352E+01 1.34479023E+00 2.91829413E-02-2.35031917E-05 3 1.06330237E-08-2.01204160E-12-7.55546074E+02 1.80542169E+01 4 COC. 9/20/ 1 C 2H 5O 1 0G 300.000 5000.000 1391.000 21 8.50134374E+00 1.05298924E-02-3.61301530E-06 5.61938200E-10-3.26372147E-14 2 -3.14450325E+03-1.98569352E+01 1.34479023E+00 2.91829413E-02-2.35031917E-05 3 1.06330237E-08-2.01204160E-12-7.55546074E+02 1.80542169E+01 4 C.COOH 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1382.000 31 1.15717358E+01 1.04102804E-02-3.65636696E-06 5.77826734E-10-3.39411893E-14 2 -7.92801551E+02-3.16223617E+01 2.18700645E+00 3.16485391E-02-2.23352126E-05 3 8.25779066E-09-1.28474905E-12 2.58689975E+03 1.91111750E+01 4 CCOO 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1382.000 21 9.48931216E+00 1.24402783E-02-4.31809356E-06 6.76915985E-10-3.95348408E-14 2 -8.29262242E+03-2.16025239E+01 2.30095124E+00 2.75312844E-02-1.68081734E-05 3 5.69376219E-09-8.76790905E-13-5.51135183E+03 1.77998824E+01 4 CCOO. 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1382.000 21 9.48931216E+00 1.24402783E-02-4.31809356E-06 6.76915985E-10-3.95348408E-14 2 -8.29262242E+03-2.16025239E+01 2.30095124E+00 2.75312844E-02-1.68081734E-05 3 5.69376219E-09-8.76790905E-13-5.51135183E+03 1.77998824E+01 4 CC.OOH 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1377.000 31 1.14908335E+01 1.04709452E-02-3.67518967E-06 5.80519487E-10-3.40872115E-14 2 -4.01001740E+03-3.08357202E+01 3.58160192E+00 2.67855078E-02-1.62834847E-05 3 4.99433991E-09-6.38607542E-13-9.81665116E+02 1.25197691E+01 4 CCO.OH 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1406.000 21 1.10045760E+01 1.07844284E-02-3.66685398E-06 5.67050055E-10-3.28094103E-14 2 -3.01536166E+04-3.17118404E+01 1.22966421E+00 3.45143262E-02-2.57425386E-05 3 9.90701834E-09-1.54488566E-12-2.68757871E+04 2.04214014E+01 4 C.C(OH)2 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1408.000 31 1.05627435E+01 1.05436816E-02-3.54058683E-06 5.42766497E-10-3.12080343E-14 2 -3.10276663E+04-2.54571359E+01 2.04042056E+00 3.23361555E-02-2.52362720E-05 3 1.04652356E-08-1.77344419E-12-2.82642166E+04 1.96303163E+01 4 CC.(OH)2 9/20/ 1 C 2H 5O 2 0G 300.000 5000.000 1374.000 31 9.39529397E+00 1.18774638E-02-4.07526938E-06 6.33908195E-10-3.68230270E-14 2 -3.59302563E+04-1.93115097E+01 4.94880569E+00 1.70295091E-02-2.85752917E-06 3 -2.58633524E-09 9.23244493E-13-3.38079083E+04 6.51706357E+00 4 TCYCOOH C 2H 5O 2 0G 300.000 5000.000 1404.000 11 8.87270223E+00 1.17247294E-02-3.71392453E-06 5.46185954E-10-3.04725086E-14 2 1.60254132E+04-1.92868657E+01-7.30042486E-01 4.48245522E-02-4.68677559E-05 3 2.52048262E-08-5.19013344E-12 1.83706266E+04 2.86295104E+01 4 TYCCOOH C 2H 5O 2 0G 300.000 5000.000 1388.000 01 1.19202307E+01 1.08270941E-02-3.68667053E-06 5.71558671E-10-3.31563463E-14 2 9.13494374E+03-3.90023277E+01-1.12553815E+00 4.01008023E-02-2.75132281E-05 3 8.76575965E-09-1.00172562E-12 1.36762814E+04 3.13062822E+01 4 TCYCOCXOH C 2H 5O 2 0G 300.000 5000.000 1424.000 11 9.62577936E+00 1.10961524E-02-3.50468529E-06 5.14718924E-10-2.87011626E-14 2 1.18705593E+04-2.29205911E+01 6.41197873E-01 3.57846372E-02-2.95115089E-05 3 1.28713305E-08-2.24573869E-12 1.45593489E+04 2.39156701E+01 4 COHCOO 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1390.000 21 1.06166748E+01 1.37337761E-02-4.69667996E-06 7.28820552E-10-4.22614849E-14 2 -2.66098287E+04-2.28744309E+01 2.79549417E+00 3.29050158E-02-2.40430590E-05 3 1.01683138E-08-1.86344355E-12-2.38592136E+04 1.90187900E+01 4 CO.COOH 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1390.000 21 1.30354993E+01 1.19747770E-02-4.15846317E-06 6.52202714E-10-3.81074969E-14 2 -1.86504401E+04-3.77414624E+01 1.88755820E+00 3.96976758E-02-3.15050391E-05 3 1.33055955E-08-2.32386673E-12-1.48923840E+04 2.16259694E+01 4 C.OHCOOH 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1395.000 31 1.38273876E+01 1.07196056E-02-3.68864333E-06 5.74876792E-10-3.34387688E-14 2 -2.24888434E+04-4.00955841E+01 2.75525356E+00 4.28594151E-02-4.08618097E-05 3 2.03112030E-08-3.99463565E-12-1.91777182E+04 1.72996240E+01 4 COHC.OOH 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1388.000 31 1.25836648E+01 1.18360633E-02-4.08753885E-06 6.38613572E-10-3.72106962E-14 2 -2.23200932E+04-3.19263066E+01 4.14567254E+00 3.18671603E-02-2.31342180E-05 3 9.27871883E-09-1.59314184E-12-1.93403079E+04 1.34141615E+01 4 C.CQOH 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1392.000 41 1.44726902E+01 9.98267502E-03-3.48947289E-06 5.49747528E-10-3.22239303E-14 2 -2.44897383E+04-4.38711060E+01 3.23549075E+00 3.77457023E-02-3.02349670E-05 3 1.24657092E-08-2.08982730E-12-2.07330359E+04 1.59530662E+01 4 CCQ.OH 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1386.000 31 1.24814697E+01 1.19747725E-02-4.14745880E-06 6.49270802E-10-3.78854814E-14 2 -3.22823011E+04-3.50696580E+01 4.20827178E+00 3.00728505E-02-1.94538290E-05 3 6.69881486E-09-9.90139494E-13-2.92213667E+04 9.90745988E+00 4 CCQO. 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1391.000 31 1.50807132E+01 1.00005142E-02-3.52129227E-06 5.57500738E-10-3.27917043E-14 2 -2.43833390E+04-5.09656873E+01 2.20622728E+00 4.17033356E-02-3.37590310E-05 3 1.38191117E-08-2.27928255E-12-2.00903753E+04 1.75766387E+01 4 CC.QOH 9/20/ 1 C 2H 5O 3 0G 300.000 5000.000 1382.000 41 1.34888404E+01 1.08249625E-02-3.78101496E-06 5.95319711E-10-3.48788071E-14 2 -2.93312912E+04-3.73967988E+01 4.99881797E+00 2.84511061E-02-1.71979820E-05 3 5.02737857E-09-5.67375642E-13-2.61305502E+04 9.03647000E+00 4 HOOCCOO. 9/20/ 1 C 2H 5O 4 0G 300.000 5000.000 1380.000 41 1.54580704E+01 1.19277842E-02-4.21396998E-06 6.68549393E-10-3.93768340E-14 2 -2.11969295E+04-4.79565368E+01 3.40736063E+00 4.09221341E-02-3.20927884E-05 3 1.34150840E-08-2.34667668E-12-1.70003846E+04 1.66278837E+01 4 HOOCC.OOH 9/20/ 1 C 2H 5O 4 0G 300.000 5000.000 1377.000 51 1.76276657E+01 9.76910527E-03-3.49571302E-06 5.59368150E-10-3.31441594E-14 2 -1.69897216E+04-5.74890852E+01 4.46492782E+00 4.08134050E-02-3.18786416E-05 3 1.25837729E-08-2.02539816E-12-1.24295353E+04 1.31331596E+01 4 CQJCQ 9/20/ 1 C 2H 5O 4 0G 300.000 5000.000 1377.000 51 1.76276657E+01 9.76910527E-03-3.49571302E-06 5.59368150E-10-3.31441594E-14 2 -1.69897216E+04-5.74890852E+01 4.46492782E+00 4.08134050E-02-3.18786416E-05 3 1.25837729E-08-2.02539816E-12-1.24295353E+04 1.31331596E+01 4 TCQJCQ C 2H 5O 4 0G 300.000 5000.000 1444.000 21 1.76496771E+01 1.06186224E-02-3.70550510E-06 5.83947476E-10-3.42602833E-14 2 -7.21621026E+03-6.39672339E+01 2.95127135E+00 4.11475224E-02-2.50460881E-05 3 5.77552692E-09-1.53585185E-13-1.89493496E+03 1.60506729E+01 4 CC 9/20/ 1 C 2H 6 0 0G 300.000 5000.000 1384.000 11 6.10683384E+00 1.29236361E-02-4.42527196E-06 6.87391726E-10-3.98901732E-14 2 -1.37500014E+04-1.30081250E+01-2.52854362E-02 2.40764754E-02-1.11893472E-05 3 2.08340901E-09-5.29868617E-14-1.12345534E+04 2.11648750E+01 4 !C2H6 9/20/ 1 C 2H 6 0 0G 300.000 5000.000 1384.000 11 ! 6.10683384E+00 1.29236361E-02-4.42527196E-06 6.87391726E-10-3.98901732E-14 2 !-1.37500014E+04-1.30081250E+01-2.52854362E-02 2.40764754E-02-1.11893472E-05 3 ! 2.08340901E-09-5.29868617E-14-1.12345534E+04 2.11648750E+01 4 CCOH 9/20/ 1 C 2H 6O 1 0G 300.000 5000.000 1391.000 21 7.95264841E+00 1.31574144E-02-4.43693359E-06 6.82201160E-10-3.93096335E-14 2 -3.23602958E+04-1.76537972E+01 4.23149045E-01 2.92858167E-02-1.73845099E-05 3 5.33639892E-09-6.74917252E-13-2.95683054E+04 2.33538763E+01 4 COC 9/20/ 1 C 2H 6O 1 0G 300.000 5000.000 1368.000 21 8.27745836E+00 1.32135539E-02-4.53264362E-06 7.05316507E-10-4.09933283E-14 2 -2.61982700E+04-2.15190894E+01 1.50763450E+00 2.39914228E-02-8.68910500E-06 3 -9.66835762E-11 4.89319361E-13-2.32810894E+04 1.67317297E+01 4 CCOOH 9/20/ 1 C 2H 6O 2 0G 300.000 5000.000 1383.000 31 1.19467607E+01 1.26199541E-02-4.41413345E-06 6.95639223E-10-4.07819001E-14 2 -2.66112212E+04-3.65693502E+01 1.33190965E+00 3.63883425E-02-2.50129909E-05 3 9.01447746E-09-1.37011517E-12-2.27618185E+04 2.09059539E+01 4 CC(OH)2 9/20/ 1 C 2H 6O 2 0G 300.000 5000.000 1406.000 31 1.10107534E+01 1.27120721E-02-4.28906892E-06 6.59676384E-10-3.80192809E-14 2 -5.64044414E+04-3.15900846E+01 1.12682817E+00 3.68803329E-02-2.71267710E-05 3 1.05508776E-08-1.68653472E-12-5.30892390E+04 2.10927871E+01 4 COHCOOH 9/20/ 1 C 2H 6O 3 0G 300.000 5000.000 1392.000 31 1.30746479E+01 1.39152742E-02-4.79382043E-06 7.47762420E-10-4.35230975E-14 2 -4.49286627E+04-3.78446300E+01 1.81431710E+00 4.18295179E-02-3.23594326E-05 3 1.35636701E-08-2.37419041E-12-4.11082135E+04 2.21782294E+01 4 CCQOH 9/20/ 1 C 2H 6O 3 0G 300.000 5000.000 1393.000 41 1.50722206E+01 1.19885790E-02-4.17449940E-06 6.55986568E-10-3.83830242E-14 2 -5.06455236E+04-5.07992741E+01 2.31289091E+00 4.29504102E-02-3.32984625E-05 3 1.32795594E-08-2.15744720E-12-4.63306409E+04 1.73159283E+01 4 HOOCCOOH 9/20/ 1 C 2H 6O 4 0G 300.000 5000.000 1380.000 51 1.70970028E+01 1.27669527E-02-4.52912961E-06 7.20566013E-10-4.25244610E-14 2 -3.92622026E+04-5.76584023E+01 2.68129917E+00 4.66141911E-02-3.55782130E-05 3 1.40339500E-08-2.29025763E-12-3.42192370E+04 1.97957011E+01 4 C@CC. 9/20/ 1 C 3H 3 0 0G 300.000 5000.000 1380.000 11 7.88591315E+00 6.65864168E-03-2.34157567E-06 3.70338401E-10-2.17650188E-14 2 3.75766518E+04-1.85822699E+01 2.07875733E+00 2.00336132E-02-1.45703340E-05 3 5.70232469E-09-9.52285270E-13 3.96645659E+04 1.27620341E+01 4 C*C*C. 9/20/ 1 C 3H 3 0 0G 300.000 5000.000 1396.000 01 7.51032147E+00 7.05649191E-03-2.40124760E-06 3.71491550E-10-2.14993535E-14 2 3.78131811E+04-1.48576622E+01 1.83005022E+00 2.10813916E-02-1.59820036E-05 3 6.48200372E-09-1.08949265E-12 3.97232743E+04 1.54024163E+01 4 C@CCCL 9/20/ 1 C 3H 3CL 1 0G 300.000 5000.000 1391.000 11 9.81354225E+00 7.44615273E-03-2.58507422E-06 4.05346514E-10-2.36799139E-14 2 1.55846760E+04-2.52682080E+01 2.44379974E+00 2.67967767E-02-2.28974007E-05 3 1.03760823E-08-1.91495715E-12 1.79761800E+04 1.36315829E+01 4 C*C.CHOB 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1378.000 11 1.05112372E+01 7.08565332E-03-2.51475032E-06 4.00209743E-10-2.36238380E-14 2 1.00719876E+04-2.99744622E+01 2.59635655E+00 2.49437263E-02-1.79017622E-05 3 6.47062313E-09-9.55383735E-13 1.28981791E+04 1.27832058E+01 4 C*CC.*O 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1395.000 11 9.85246439E+00 7.35842829E-03-2.54254396E-06 3.97416553E-10-2.31655181E-14 2 3.19434364E+03-2.69021114E+01 1.45908890E+00 3.08797753E-02-2.86791655E-05 3 1.37711404E-08-2.62739808E-12 5.75756309E+03 1.68540222E+01 4 C*C.CHO 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1378.000 11 1.05112372E+01 7.08565332E-03-2.51475032E-06 4.00209743E-10-2.36238380E-14 2 1.00719876E+04-2.99744622E+01 2.59635655E+00 2.49437263E-02-1.79017622E-05 3 6.47062313E-09-9.55383735E-13 1.28981791E+04 1.27832058E+01 4 C*C*CO. 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1413.000 01 1.16173730E+01 5.99202629E-03-2.01049670E-06 3.08350311E-10-1.77454696E-14 2 1.55474685E+04-3.81265959E+01-2.83920436E+00 5.08447241E-02-5.49690003E-05 3 2.81414688E-08-5.46298961E-12 1.93966870E+04 3.54773095E+01 4 C*C.C*OA 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1403.000 11 1.21692866E+01 5.59693557E-03-1.98341964E-06 3.15421916E-10-1.86121648E-14 2 1.45052044E+04-4.02099991E+01-1.50403403E+00 4.55040403E-02-4.70076852E-05 3 2.32603302E-08-4.42069814E-12 1.84198921E+04 3.03373017E+01 4 C@CCO. 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1367.000 11 9.75277608E+00 7.75771765E-03-2.75276344E-06 4.38006527E-10-2.58507000E-14 2 2.67609279E+04-2.55487712E+01 3.39131675E+00 1.99609067E-02-1.09535248E-05 3 2.63964106E-09-2.03343869E-13 2.92854315E+04 9.64418140E+00 4 C@CC.OH 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1384.000 21 9.55665414E+00 7.07940692E-03-2.42485066E-06 3.76961633E-10-2.18948216E-14 2 1.85189385E+04-2.32439381E+01 3.77440378E+00 1.98371947E-02-1.29895536E-05 3 4.29303955E-09-5.72390472E-13 2.06057998E+04 8.08331163E+00 4 C.C=C=O 9/20/ 1 C 3H 3O 1 0G 300.000 5000.000 1403.000 01 1.04659688E+01 7.14293231E-03-2.44201859E-06 3.79010818E-10-2.19844084E-14 2 3.96115327E+03-3.04023595E+01 8.39896629E-01 3.51651776E-02-3.42546005E-05 3 1.67693320E-08-3.20523497E-12 6.75655698E+03 1.93417991E+01 4 C@CC.OOH 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1474.000 31 1.32876105E+01 6.57106619E-03-2.37205080E-06 3.81782201E-10-2.27135403E-14 2 2.43937108E+04-4.28455867E+01 5.11923816E+00 2.05613165E-02-8.13033444E-06 3 -8.78217424E-10 8.44305422E-13 2.76631775E+04 2.70437178E+00 4 C@COOC. 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1405.000 31 1.61337401E+01 4.05216560E-03-1.47980246E-06 2.40006989E-10-1.43550442E-14 2 4.22255796E+04-5.53950822E+01 3.70538308E+00 3.72517233E-02-3.53951364E-05 3 1.58862559E-08-2.75050765E-12 4.60274199E+04 9.71311010E+00 4 C*CO.CHO 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1409.000 11 1.53252034E+01 5.16507662E-03-1.77283958E-06 2.76489045E-10-1.61107088E-14 2 -1.30951908E+04-5.74226819E+01-1.85359889E+00 5.74266148E-02-6.24086594E-05 3 3.16924259E-08-6.09457148E-12-8.43317233E+03 3.03840787E+01 4 C.C*OCHO 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1402.000 21 1.40284696E+01 6.16617426E-03-2.18613065E-06 3.47791818E-10-2.05285370E-14 2 -1.66423645E+04-4.90996578E+01 3.77176239E-01 4.39762176E-02-4.26712992E-05 3 2.00294710E-08-3.64900123E-12-1.25532866E+04 2.20174318E+01 4 C.C*OC*O 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1385.000 21 1.29753416E+01 7.23271509E-03-2.59339769E-06 4.15564382E-10-2.46478612E-14 2 -1.61435438E+04-4.13333150E+01 7.49178366E-01 3.78961102E-02-3.24282405E-05 3 1.37661856E-08-2.32979962E-12-1.21304748E+04 2.35477116E+01 4 CC*OC.*O 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1380.000 21 1.20702870E+01 8.00074122E-03-2.85823711E-06 4.56899589E-10-2.70546760E-14 2 -1.70982198E+04-3.71183023E+01 1.02970383E+00 3.23579473E-02-2.24841493E-05 3 7.22807769E-09-8.51995024E-13-1.31759522E+04 2.25944297E+01 4 C@CCOO 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1373.000 21 1.07126601E+01 9.00182471E-03-3.16661076E-06 5.00919031E-10-2.94427667E-14 2 2.57403159E+04-2.60904423E+01 4.64300083E+00 2.07348872E-02-1.14539170E-05 3 3.08894345E-09-3.43372941E-13 2.81718276E+04 7.50923373E+00 4 C.@CCOOH 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1361.000 31 1.31718178E+01 6.60430007E-03-2.36767478E-06 3.79333900E-10-2.24958827E-14 2 4.83343048E+04-3.87763100E+01 5.76707757E+00 2.11419969E-02-1.20522380E-05 3 2.69347802E-09-1.02945487E-13 5.11763300E+04 1.96411290E+00 4 C*C*COO 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1398.000 11 1.14169154E+01 8.17699809E-03-2.73820999E-06 4.19077911E-10-2.40719882E-14 2 2.66222751E+04-2.92527280E+01 2.50995667E+00 3.44567677E-02-3.31504505E-05 3 1.64132382E-08-3.19045701E-12 2.92000304E+04 1.66952971E+01 4 C.*C*COOH 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1398.000 21 1.37754735E+01 6.33992619E-03-2.23589691E-06 3.54414701E-10-2.08650859E-14 2 2.53922958E+04-4.26671746E+01 3.03789353E+00 3.48114477E-02-3.15453703E-05 3 1.41518866E-08-2.50305951E-12 2.87500912E+04 1.37452641E+01 4 C.@COOC 9/20/ 1 C 3H 3O 2 0G 300.000 5000.000 1456.000 31 1.45727019E+01 5.45178732E-03-1.97978997E-06 3.19910446E-10-1.90849484E-14 2 5.97509890E+04-4.69231842E+01 4.91079907E+00 2.54610684E-02-1.58900693E-05 3 3.65714707E-09-8.21750484E-14 6.32545417E+04 5.69700487E+00 4 C@CC 9/20/ 1 C 3H 4 0 0G 300.000 5000.000 1361.000 11 7.82375971E+00 9.40009504E-03-3.31992737E-06 5.26581431E-10-3.10092843E-14 2 1.83958734E+04-1.97410978E+01 2.36172918E+00 1.71141946E-02-4.77661324E-06 3 -1.33111337E-09 6.52367983E-13 2.08645538E+04 1.14979190E+01 4 C*C*C 9/20/ 1 C 3H 4 0 0G 300.000 5000.000 1395.000 01 7.72656830E+00 9.36653958E-03-3.18633443E-06 4.92833501E-10-2.85166316E-14 2 1.98863470E+04-1.91891052E+01 9.04627493E-01 2.54935880E-02-1.80277971E-05 3 6.83164810E-09-1.08512767E-12 2.22562951E+04 1.74142208E+01 4 !C*CCHO 9/20/ 1 C 3H 4O 1 0G 300.000 5000.000 1393.000 11 ! 1.04184959E+01 9.48963321E-03-3.29310529E-06 5.16279203E-10-3.01587291E-14 2 !-1.49630281E+04-3.07235061E+01 2.92355162E-01 3.54321417E-02-2.94936324E-05 3 ! 1.28100124E-08-2.26144108E-12-1.16521584E+04 2.28878280E+01 4 C*C*COH 9/20/ 1 C 3H 4O 1 0G 300.000 5000.000 1414.000 11 1.26577744E+01 7.01736381E-03-2.31772509E-06 3.51539039E-10-2.00694353E-14 2 -2.89247722E+03-4.38668683E+01-2.57650715E+00 5.49021170E-02-5.94518713E-05 3 3.06181694E-08-5.97592742E-12 1.10554060E+03 3.34827044E+01 4 C@CCOH 9/20/ 1 C 3H 4O 1 0G 300.000 5000.000 1364.000 21 9.59286905E+00 1.00012999E-02-3.52255136E-06 5.57679137E-10-3.27974456E-14 2 5.11017073E+02-2.46043253E+01 4.26745497E+00 1.75591535E-02-5.22188155E-06 3 -9.35321148E-10 5.35461991E-13 2.93706383E+03 5.87852883E+00 4 CC=C=O 9/20/ 1 C 3H 4O 1 0G 300.000 5000.000 1400.000 11 1.00219123E+01 9.56966300E-03-3.26221644E-06 5.05231706E-10-2.92593257E-14 2 -1.42482738E+04-2.77829973E+01 1.48380119E+00 3.22203013E-02-2.70250033E-05 3 1.20499164E-08-2.18365931E-12-1.15276540E+04 1.71552068E+01 4 C@CCOOH 9/20/ 1 C 3H 4O 2 0G 300.000 5000.000 1377.000 31 1.37842636E+01 8.63987333E-03-3.07132534E-06 4.89304705E-10-2.89040586E-14 2 7.31559667E+03-4.42986053E+01 4.17934150E+00 3.03306307E-02-2.18896475E-05 3 8.02393700E-09-1.21207350E-12 1.07545460E+04 7.60123872E+00 4 C*C*COOH 9/20/ 1 C 3H 4O 2 0G 300.000 5000.000 1401.000 21 1.39162229E+01 8.28142174E-03-2.80052362E-06 4.31804292E-10-2.49425507E-14 2 8.29031940E+03-4.44481251E+01 1.51914807E+00 4.33917829E-02-4.14246457E-05 3 1.97379698E-08-3.67721966E-12 1.19531906E+04 1.99051805E+01 4 C@COOC 9/20/ 1 C 3H 4O 2 0G 300.000 5000.000 1515.000 31 1.48519334E+01 7.87147556E-03-2.83975179E-06 4.56874749E-10-2.71734513E-14 2 1.78405930E+04-5.05955486E+01 4.88809487E+00 2.57737944E-02-1.17340314E-05 3 2.89908089E-10 7.01139427E-13 2.17574907E+04 4.69084585E+00 4 C*COHCHO 9/20/ 1 C 3H 4O 2 0G 300.000 5000.000 1413.000 21 1.50157952E+01 7.28436292E-03-2.44780287E-06 3.76227516E-10-2.16975376E-14 2 -3.51281819E+04-5.46997331E+01-5.47598676E-01 5.14394179E-02-5.04053973E-05 3 2.38170250E-08-4.33829212E-12-3.06155486E+04 2.59315599E+01 4 CC*OC*O 9/20/ 1 C 3H 4O 2 0G 300.000 5000.000 1373.000 21 1.18377936E+01 1.06832643E-02-3.76864788E-06 5.97374721E-10-3.51655013E-14 2 -3.80189846E+04-3.53976752E+01 1.97192949E+00 3.01085469E-02-1.67791836E-05 3 3.73805387E-09-1.49790837E-13-3.42361657E+04 1.88652981E+01 4 C*CCBR 9/20/ 1 C 3H 5BR 1 0G 300.000 5000.000 1400.000 11 1.05427866E+01 1.16028280E-02-3.94852032E-06 6.10872467E-10-3.53528208E-14 2 5.86423007E+02-2.77316417E+01 7.93653241E-01 3.59787194E-02-2.77981313E-05 3 1.14118597E-08-1.92770196E-12 3.82351362E+03 2.40777779E+01 4 C.*CC 9/20/ 1 C 3H 5 0 0G 300.000 5000.000 1390.000 11 7.88765879E+00 1.13012591E-02-3.84213130E-06 5.93982677E-10-3.43567175E-14 2 2.82377716E+04-1.74291589E+01 1.32807335E+00 2.53107914E-02-1.51530439E-05 3 4.74345565E-09-6.24666084E-13 3.06873903E+04 1.83328787E+01 4 C*C.C 9/20/ 1 C 3H 5 0 0G 300.000 5000.000 1382.000 11 7.37492443E+00 1.17510061E-02-4.00021283E-06 6.18947395E-10-3.58215018E-14 2 2.72874911E+04-1.43478655E+01 2.17916644E+00 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6.39348310E+04-5.20548596E+01-1.99433732E+00 5.85153587E-02-5.22370317E-05 3 2.38863031E-08-4.34541397E-12 6.89939408E+04 3.38466706E+01 4 FULVENE5 C 6H 5 0 0G 300.000 5000.000 1402.000 01 1.39536035E+01 1.43142799E-02-4.90640318E-06 7.62995857E-10-4.43239330E-14 2 5.18351078E+04-5.10395297E+01-3.53864120E+00 6.09414247E-02-5.33414210E-05 3 2.38138378E-08-4.23670781E-12 5.73030462E+04 4.08091150E+01 4 FULVENEJ C 6H 5 0 0G 300.000 5000.000 1403.000 01 1.42838142E+01 1.39812668E-02-4.77945335E-06 7.41885970E-10-4.30412712E-14 2 4.13552838E+04-5.24455927E+01-3.41917593E+00 6.26320232E-02-5.69408589E-05 3 2.62996135E-08-4.80762354E-12 4.67514014E+04 4.00051187E+01 4 FULVENE4 C 6H 5 0 0G 300.000 5000.000 1401.000 01 1.38759990E+01 1.43840857E-02-4.93124540E-06 7.66945253E-10-4.45565538E-14 2 5.23095810E+04-5.06120216E+01-3.53335645E+00 6.07026542E-02-5.29679165E-05 3 2.36003368E-08-4.19395727E-12 5.77621292E+04 4.08353947E+01 4 C@CCCC@C 9/20/ 1 C 6H 6 0 0G 300.000 5000.000 1369.000 31 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0G 300.000 5000.000 1391.000 01 1.37969112E+01 1.75463970E-02-6.14454458E-06 9.69199960E-10-5.68574315E-14 2 2.61691889E+03-5.64845457E+01-5.47111685E+00 6.44195230E-02-5.05526465E-05 3 2.04451595E-08-3.37591343E-12 9.14055839E+03 4.63686277E+01 4 BENZENE 9/20/ 1 C 6H 6 0 0G 300.000 5000.000 1391.000 01 1.37969112E+01 1.75463970E-02-6.14454458E-06 9.69199960E-10-5.68574315E-14 2 2.61691889E+03-5.64845457E+01-5.47111685E+00 6.44195230E-02-5.05526465E-05 3 2.04451595E-08-3.37591343E-12 9.14055839E+03 4.63686277E+01 4 12ME2CYBE 9/20/ 1 C 6H 6 0 0G 300.000 5000.000 1372.000 01 1.55709792E+01 1.65259839E-02-5.90622192E-06 9.44318926E-10-5.59222990E-14 2 2.44566224E+04-6.74805803E+01-4.22307423E+00 5.86570434E-02-3.85563005E-05 3 1.17569399E-08-1.31871130E-12 3.17178803E+04 4.02486279E+01 4 C6H5OH 9/20/ 1 C 6H 6O 1 0G 300.000 5000.000 1399.000 11 1.66184362E+01 1.70161961E-02-5.90362595E-06 9.25462056E-10-5.40598282E-14 2 -1.92930988E+04-6.67739920E+01-4.42012068E+00 7.23757656E-02-6.28727338E-05 3 2.78976550E-08-4.95209713E-12-1.26192829E+04 4.39939385E+01 4 PHENOL 9/20/ 1 C 6H 6O 1 0G 300.000 5000.000 1399.000 11 1.66184362E+01 1.70161961E-02-5.90362595E-06 9.25462056E-10-5.40598282E-14 2 -1.92930988E+04-6.67739920E+01-4.42012068E+00 7.23757656E-02-6.28727338E-05 3 2.78976550E-08-4.95209713E-12-1.26192829E+04 4.39939385E+01 4 CYHXE.O. 9/20/ 1 C 6H 6O 1 0G 300.000 5000.000 1405.000 01 1.89409958E+01 1.48435808E-02-5.03218699E-06 7.77970016E-10-4.50457553E-14 2 -2.97698429E+04-7.77778066E+01-6.74351407E+00 8.35101413E-02-7.54910888E-05 3 3.35144752E-08-5.81890039E-12-2.18878468E+04 5.68053909E+01 4 CYC6.CLOH 9/20/ 1 C 6H 6O 1CL 1G 300.000 5000.000 1405.000 11 2.04478443E+01 1.59945245E-02-5.48260718E-06 8.52726001E-10-4.95446239E-14 2 -9.41830864E+03-8.22874085E+01-5.56528202E+00 9.07751819E-02-8.87873941E-05 3 4.28828625E-08-8.05081744E-12-1.84804189E+03 5.23442340E+01 4 CYC6CL.OH 9/20/ 1 C 6H 6O 1CL 1G 300.000 5000.000 1383.000 11 1.97192039E+01 1.75386866E-02-6.22310314E-06 9.90203064E-10-5.84428800E-14 2 -9.54421825E+03-7.82162962E+01-2.25544147E+00 7.22100796E-02-5.99923043E-05 3 2.57476053E-08-4.50893894E-12-2.16649683E+03 3.87564797E+01 4 MEC24PD3. 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1398.000 11 1.52281059E+01 1.81083628E-02-6.26001559E-06 9.78914132E-10-5.70822182E-14 2 3.25838211E+04-5.89056940E+01-4.29676719E+00 6.79639321E-02-5.60349640E-05 3 2.39156977E-08-4.13124991E-12 3.89415562E+04 4.44519013E+01 4 LONG0049 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1401.000 11 1.62447831E+01 1.71857695E-02-5.92856910E-06 9.25793451E-10-5.39328635E-14 2 1.67316446E+04-6.54248238E+01-5.73990242E+00 7.76430381E-02-7.10245382E-05 3 3.30310634E-08-6.08402657E-12 2.34555517E+04 4.94167954E+01 4 LONG0050 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1399.000 11 1.54314504E+01 1.79409977E-02-6.20382163E-06 9.70331617E-10-5.65910458E-14 2 2.84919378E+04-5.93628814E+01-5.29971835E+00 7.18818387E-02-6.10583664E-05 3 2.66531096E-08-4.67557387E-12 3.51298331E+04 5.00035881E+01 4 MEC14PD4. 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1386.000 11 1.61700661E+01 1.78117096E-02-6.27231686E-06 9.93029549E-10-5.84055898E-14 2 3.20938001E+04-6.54895111E+01-3.20436185E+00 6.34676606E-02-4.79629187E-05 3 1.86075251E-08-2.96217850E-12 3.88147153E+04 3.84791517E+01 4 MEC14PD3. 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1391.000 11 1.71720397E+01 1.69119791E-02-5.95083544E-06 9.41663835E-10-5.53659640E-14 2 1.62474253E+04-7.12313486E+01-4.65213278E+00 7.31788309E-02-6.30222716E-05 3 2.77793736E-08-4.92962926E-12 2.33291796E+04 4.41580439E+01 4 ME.CY14PD 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1386.000 11 1.78828155E+01 1.65908819E-02-5.90626243E-06 9.41891221E-10-5.56791001E-14 2 2.08329081E+04-7.74457326E+01-5.98392874E+00 7.63619964E-02-6.44506689E-05 3 2.75110138E-08-4.73083613E-12 2.87311959E+04 4.93325404E+01 4 !CYC6H7 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1399.000 01 ! 1.48952230E+01 1.86446019E-02-6.40880880E-06 9.98505156E-10-5.80800835E-14 2 ! 1.74517869E+04-5.85128201E+01-5.53952555E+00 7.04351030E-02-5.73920116E-05 3 ! 2.40513712E-08-4.06716243E-12 2.41107691E+04 4.97426193E+01 4 CHD. 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1399.000 01 1.48952230E+01 1.86446019E-02-6.40880880E-06 9.98505156E-10-5.80800835E-14 2 1.74517869E+04-5.85128201E+01-5.53952555E+00 7.04351030E-02-5.73920116E-05 3 2.40513712E-08-4.06716243E-12 2.41107691E+04 4.97426193E+01 4 CHD14. 9/20/ 1 C 6H 7 0 0G 300.000 5000.000 1377.000 01 1.74200003E+01 1.75510444E-02-6.27107580E-06 1.00250336E-09-5.93620261E-14 2 1.59977024E+04-7.61535135E+01-5.53315324E+00 6.96682409E-02-5.10266972E-05 3 1.83592426E-08-2.63715777E-12 2.40972902E+04 4.76209870E+01 4 CYHEXE.OH 9/20/ 1 C 6H 7O 1 0G 300.000 5000.000 1406.000 11 1.91053580E+01 1.65354198E-02-5.55361579E-06 8.53065924E-10-4.91689871E-14 2 -3.72115636E+03-7.85742001E+01-7.27512232E+00 8.74906779E-02-7.88993739E-05 3 3.52024279E-08-6.15519374E-12 4.34109789E+03 5.95194985E+01 4 CYC6CLOH1 9/20/ 1 C 6H 7O 1CL 1G 300.000 5000.000 1404.000 11 2.09045012E+01 1.82230056E-02-6.26684572E-06 9.76791121E-10-5.68364591E-14 2 -2.22435688E+04-8.56873749E+01-5.84181701E+00 9.25464244E-02-8.65672716E-05 3 4.04913436E-08-7.43621370E-12-1.41997092E+04 5.36551840E+01 4 CYC6CLOH2 9/20/ 1 C 6H 7O 1CL 1G 300.000 5000.000 1380.000 11 2.03119458E+01 1.97248133E-02-7.01048873E-06 1.11673169E-09-6.59618126E-14 2 -2.15381939E+04-8.26686461E+01-3.35609711E+00 7.59361817E-02-5.91688986E-05 3 2.36967259E-08-3.90275411E-12-1.33411267E+04 4.42391821E+01 4 CY13HD 9/20/ 1 C 6H 8 0 0G 300.000 5000.000 1396.000 01 1.53625259E+01 2.08675112E-02-7.19203048E-06 1.12251633E-09-6.53733380E-14 2 4.62118283E+03-6.19809097E+01-5.81337476E+00 7.22248431E-02-5.52161741E-05 3 2.16975324E-08-3.46304555E-12 1.17578006E+04 5.10293752E+01 4 MECY24PD 9/20/ 1 C 6H 8 0 0G 300.000 5000.000 1399.000 11 1.58460057E+01 2.00902785E-02-6.93497016E-06 1.08339840E-09-6.31318908E-14 2 3.42821098E+03-6.44405101E+01-6.05214392E+00 7.63737263E-02-6.34619690E-05 3 2.72515023E-08-4.72538827E-12 1.05143031E+04 5.13368383E+01 4 MECY14PD 9/20/ 1 C 6H 8 0 0G 300.000 5000.000 1388.000 11 1.67593107E+01 1.98426153E-02-6.96935138E-06 1.10147829E-09-6.47063788E-14 2 2.94708301E+03-7.08673177E+01-4.95501441E+00 7.18819475E-02-5.54547570E-05 3 2.20225927E-08-3.58099645E-12 1.03862819E+04 4.53380629E+01 4 CHD 9/20/ 1 C 6H 8 0 0G 300.000 5000.000 1396.000 01 1.53625259E+01 2.08675112E-02-7.19203048E-06 1.12251633E-09-6.53733380E-14 2 4.62118283E+03-6.26703913E+01-5.81337476E+00 7.22248431E-02-5.52161741E-05 3 2.16975324E-08-3.46304555E-12 1.17578006E+04 5.03398935E+01 4 CHD13 9/20/ 1 C 6H 8 0 0G 300.000 5000.000 1396.000 01 1.53625259E+01 2.08675112E-02-7.19203048E-06 1.12251633E-09-6.53733380E-14 2 4.62118283E+03-6.26703913E+01-5.81337476E+00 7.22248431E-02-5.52161741E-05 3 2.16975324E-08-3.46304555E-12 1.17578006E+04 5.03398935E+01 4 CHD14 9/20/ 1 C 6H 8 0 0G 300.000 5000.000 1369.000 01 1.76883674E+01 2.00067698E-02-7.14996880E-06 1.14314548E-09-6.76953796E-14 2 3.45242039E+03-8.02538079E+01-5.49947822E+00 6.82134483E-02-4.29985903E-05 3 1.21493314E-08-1.16666693E-12 1.20744433E+04 4.63551821E+01 4 CYC6H7OH 9/20/ 1 C 6H 8O 1 0G 300.000 5000.000 1405.000 11 1.98991469E+01 1.84878978E-02-6.24684087E-06 9.63510597E-10-5.56961140E-14 2 -1.67126226E+04-8.39705923E+01-6.53133164E+00 8.44243782E-02-6.85445158E-05 3 2.73767472E-08-4.28744958E-12-8.16148842E+03 5.61433279E+01 4 MECY1PE2. 9/20/ 1 C 6H 9 0 0G 300.000 5000.000 1394.000 11 1.53126272E+01 2.26974697E-02-7.74876115E-06 1.20163660E-09-6.96646612E-14 2 2.02514367E+04-5.87537617E+01-3.14536508E+00 6.50949391E-02-4.48055952E-05 3 1.58959410E-08-2.30438348E-12 2.67291282E+04 4.06252151E+01 4 MECY1PE3. 9/20/ 1 C 6H 9 0 0G 300.000 5000.000 1398.000 11 1.59759543E+01 2.22687495E-02-7.62956612E-06 1.18593446E-09-6.88652500E-14 2 7.49172917E+03-6.34847115E+01-4.99806580E+00 7.42062142E-02-5.76644640E-05 3 2.34123581E-08-3.88440440E-12 1.44798169E+04 4.81122879E+01 4 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7.68379097E-02-5.89414439E-05 3 2.34266254E-08-3.79372950E-12 1.43242497E+04 5.28987999E+01 4 MECY1PENE 9/20/ 1 C 6H 10 0 0G 300.000 5000.000 1395.000 11 1.59521101E+01 2.46510254E-02-8.41203526E-06 1.30412493E-09-7.55919007E-14 2 -8.91446649E+03-6.44144756E+01-4.91712820E+00 7.35579200E-02-5.22811143E-05 3 1.92470571E-08-2.89983018E-12-1.69520424E+03 4.75896811E+01 4 !CYC6H10 9/20/ 1 C 6H 10 0 0G 300.000 5000.000 1392.000 01 ! 1.60811950E+01 2.53669984E-02-8.74760281E-06 1.36572651E-09-7.95518468E-14 2 !-9.52829324E+03-6.79771626E+01-6.42702467E+00 7.69721740E-02-5.37392770E-05 3 ! 1.91548574E-08-2.77729519E-12-1.62031190E+03 5.32418985E+01 4 CYC6H11 9/20/ 1 C 6H 11 0 0G 300.000 5000.000 1383.000 01 1.86458108E+01 2.59191581E-02-8.98642697E-06 1.40867513E-09-8.23019080E-14 2 -2.20908469E+03-8.30368337E+01-7.55161902E+00 8.15848964E-02-5.10686816E-05 3 1.43337921E-08-1.30910474E-12 7.31251697E+03 5.94079764E+01 4 CYC6H12 9/20/ 1 C 6H 12 0 0G 300.000 5000.000 1375.000 01 1.88139366E+01 2.85260968E-02-9.93095425E-06 1.56087712E-09-9.13588355E-14 2 -2.58750745E+04-8.80894762E+01-8.02645333E+00 8.19981028E-02-4.56638045E-05 3 9.73071753E-09-1.93332062E-13-1.57539369E+04 5.91311538E+01 4 CYC6H5C. 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1386.000 11 1.76825654E+01 1.91266252E-02-6.73798750E-06 1.06703222E-09-6.27694898E-14 2 1.55865318E+04-7.40635066E+01-3.82666856E+00 7.07916207E-02-5.51098686E-05 3 2.20946953E-08-3.62966819E-12 2.29537415E+04 4.10201254E+01 4 CPDC*C. 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1403.000 11 1.77532033E+01 1.84059730E-02-6.33989499E-06 9.89060190E-10-5.75806205E-14 2 4.54381932E+04-7.01436673E+01-5.80060218E+00 8.24761534E-02-7.43869419E-05 3 3.40704466E-08-6.18773897E-12 5.26876414E+04 5.31022761E+01 4 CYPD.C*C 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1404.000 11 1.82673574E+01 1.79176206E-02-6.15981879E-06 9.59726305E-10-5.58225453E-14 2 2.86310916E+04-7.36408482E+01-6.40596077E+00 8.72602203E-02-8.21538676E-05 3 3.89121915E-08-7.24103981E-12 3.60064355E+04 5.46796421E+01 4 CPDC.*C 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1401.000 11 1.72462382E+01 1.88469460E-02-6.49414982E-06 1.01334865E-09-5.90029695E-14 2 4.44855164E+04-6.70956636E+01-4.95839046E+00 7.75705005E-02-6.71577730E-05 3 2.97972074E-08-5.28900523E-12 5.14915314E+04 4.96923516E+01 4 CYC7H7A 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1374.000 01 1.78456384E+01 1.97813509E-02-7.05044623E-06 1.12522875E-09-6.65521261E-14 2 2.81933841E+04-7.92034433E+01-5.13375942E+00 6.93843260E-02-4.65395364E-05 3 1.48572675E-08-1.81876383E-12 3.65696986E+04 4.56424194E+01 4 CYC7H7. 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1388.000 01 1.75563279E+01 1.96756054E-02-6.93165623E-06 1.09775216E-09-6.45793686E-14 2 2.52633555E+04-7.45521961E+01-5.42045143E+00 7.51760746E-02-5.90511971E-05 3 2.37436718E-08-3.89131358E-12 3.30795284E+04 4.82350826E+01 4 CYC7H7V. 9/20/ 1 C 7H 7 0 0G 300.000 5000.000 1383.000 01 1.74477791E+01 1.98443069E-02-7.00745791E-06 1.11147158E-09-6.54562392E-14 2 4.15737855E+04-7.27129822E+01-3.89566090E+00 6.83029924E-02-4.89696488E-05 3 1.76960620E-08-2.60330086E-12 4.91485961E+04 4.24525876E+01 4 C6H5CH3 9/20/ 1 C 7H 8 0 0G 300.000 5000.000 1389.000 11 1.63091542E+01 2.25331612E-02-7.84281827E-06 1.23200630E-09-7.20675043E-14 2 -2.75804095E+03-6.66759774E+01-4.08982289E+00 6.86477374E-02-4.74716566E-05 3 1.67001205E-08-2.39578007E-12 4.49937542E+03 4.34582591E+01 4 CYC6H5C 9/20/ 1 C 7H 8 0 0G 300.000 5000.000 1389.000 11 1.63091542E+01 2.25331612E-02-7.84281827E-06 1.23200630E-09-7.20675043E-14 2 -2.75804095E+03-6.66759774E+01-4.08982289E+00 6.86477374E-02-4.74716566E-05 3 1.67001205E-08-2.39578007E-12 4.49937542E+03 4.34582591E+01 4 CPDC*C 9/20/ 1 C 7H 8 0 0G 300.000 5000.000 1402.000 11 1.78678776E+01 2.08230902E-02-7.16659653E-06 1.11739206E-09-6.50251109E-14 2 1.53285313E+04-7.26513565E+01-6.71194396E+00 8.59702829E-02-7.45644868E-05 3 3.31169868E-08-5.87901139E-12 2.30640302E+04 5.65691171E+01 4 CYC7H8 9/20/ 1 C 7H 8 0 0G 300.000 5000.000 1385.000 01 1.80299988E+01 2.18861130E-02-7.70932398E-06 1.22078442E-09-7.18117375E-14 2 1.24275279E+04-7.87455201E+01-5.67402096E+00 7.68144863E-02-5.65996245E-05 3 2.11986103E-08-3.24209098E-12 2.07251601E+04 4.87563075E+01 4 CYC7H9A 9/20/ 1 C 7H 9 0 0G 300.000 5000.000 1399.000 01 1.81263730E+01 2.36621092E-02-8.16579591E-06 1.27550154E-09-7.43202328E-14 2 1.42102601E+04-7.58307233E+01-6.28357558E+00 8.37574956E-02-6.53900884E-05 3 2.62768484E-08-4.28274144E-12 2.23473488E+04 5.41206325E+01 4 CYC7H9S. 9/20/ 1 C 7H 9 0 0G 300.000 5000.000 1400.000 01 1.83445471E+01 2.33929608E-02-8.05386914E-06 1.25600018E-09-7.31012202E-14 2 2.50719913E+04-7.53436259E+01-5.65019074E+00 8.32898341E-02-6.60825272E-05 3 2.70959285E-08-4.50602146E-12 3.29941624E+04 5.21146318E+01 4 CC7H913A. 9/20/ 1 C 7H 9 0 0G 300.000 5000.000 1399.000 01 1.81263730E+01 2.36621092E-02-8.16579591E-06 1.27550154E-09-7.43202328E-14 2 1.42102601E+04-7.58307233E+01-6.28357558E+00 8.37574956E-02-6.53900884E-05 3 2.62768484E-08-4.28274144E-12 2.23473488E+04 5.41206325E+01 4 CC7H913S. 9/20/ 1 C 7H 9 0 0G 300.000 5000.000 1400.000 01 1.83445471E+01 2.33929608E-02-8.05386914E-06 1.25600018E-09-7.31012202E-14 2 2.50719913E+04-7.53436259E+01-5.65019074E+00 8.32898341E-02-6.60825272E-05 3 2.70959285E-08-4.50602146E-12 3.29941624E+04 5.21146318E+01 4 CYC7H10 9/20/ 1 C 7H 10 0 0G 300.000 5000.000 1396.000 01 1.86145883E+01 2.58910210E-02-8.95651064E-06 1.40125977E-09-8.17389689E-14 2 1.35661418E+03-7.94475967E+01-6.60835565E+00 8.56376030E-02-6.32059941E-05 3 2.38769475E-08-3.66462704E-12 1.00055602E+04 5.56756739E+01 4 CC7H1013 9/20/ 1 C 7H 10 0 0G 300.000 5000.000 1396.000 01 1.86145883E+01 2.58910210E-02-8.95651064E-06 1.40125977E-09-8.17389689E-14 2 1.35661418E+03-7.94475967E+01-6.60835565E+00 8.56376030E-02-6.32059941E-05 3 2.38769475E-08-3.66462704E-12 1.00055602E+04 5.56756739E+01 4 CH3CYC6 9/20/ 1 C 7H 14 0 0G 300.000 5000.000 1381.000 11 2.20212024E+01 3.32076617E-02-1.15857904E-05 1.82324838E-09-1.06797389E-13 2 -3.11720469E+04-1.03614711E+02-8.90848849E+00 9.69226774E-02-5.76085502E-05 3 1.48743771E-08-1.11357718E-12-1.96669630E+04 6.53778474E+01 4 LONG0035 9/20/ 1 C 8H 6 0 0G 300.000 5000.000 1391.000 11 1.93379955E+01 1.73557673E-02-6.04861479E-06 9.51424775E-10-5.57198526E-14 2 2.78198766E+04-8.03146825E+01-3.17410906E+00 7.22092644E-02-5.72755204E-05 3 2.27363234E-08-3.60923077E-12 3.53360699E+04 3.96624826E+01 4 CYC6C.*C 9/20/ 1 C 8H 7 0 0G 300.000 5000.000 1388.000 11 1.92214084E+01 2.02458360E-02-7.09616563E-06 1.11996239E-09-6.57286129E-14 2 3.31556369E+04-7.86625191E+01-1.88612850E+00 6.99921835E-02-5.24368761E-05 3 2.01925990E-08-3.18854016E-12 4.04681408E+04 3.45883696E+01 4 CYC6C*C. 9/20/ 1 C 8H 7 0 0G 300.000 5000.000 1397.000 11 1.90927875E+01 1.98909822E-02-6.86981799E-06 1.07370754E-09-6.25902921E-14 2 3.82661147E+04-7.72000251E+01-3.64383962E+00 7.85604460E-02-6.60358335E-05 3 2.85738243E-08-4.98068485E-12 4.55975302E+04 4.29246209E+01 4 C6H5C.*C 9/20/ 1 C 8H 7 0 0G 300.000 5000.000 1388.000 11 1.92214084E+01 2.02458360E-02-7.09616563E-06 1.11996239E-09-6.57286129E-14 2 3.31556369E+04-7.86625191E+01-1.88612850E+00 6.99921835E-02-5.24368761E-05 3 2.01925990E-08-3.18854016E-12 4.04681408E+04 3.45883696E+01 4 C6H5C*C. 9/20/ 1 C 8H 7 0 0G 300.000 5000.000 1397.000 11 1.90927875E+01 1.98909822E-02-6.86981799E-06 1.07370754E-09-6.25902921E-14 2 3.82661147E+04-7.72000251E+01-3.64383962E+00 7.85604460E-02-6.60358335E-05 3 2.85738243E-08-4.98068485E-12 4.55975302E+04 4.29246209E+01 4 LONG0036 9/20/ 1 C 8H 8 0 0G 300.000 5000.000 1396.000 11 1.92249323E+01 2.22832599E-02-7.68595290E-06 1.20019881E-09-6.99204017E-14 2 8.14911011E+03-7.98072202E+01-4.56741365E+00 8.21076898E-02-6.62823107E-05 3 2.76564392E-08-4.67898025E-12 1.59757463E+04 4.64480792E+01 4 LONG0051 9/20/ 1 C 8H 9 0 0G 300.000 5000.000 1396.000 21 1.98006146E+01 2.35734350E-02-8.05910269E-06 1.25128895E-09-7.26159594E-14 2 1.81887791E+04-8.02358282E+01-4.93727507E+00 8.45456396E-02-6.60178082E-05 3 2.64632371E-08-4.29041682E-12 2.64052796E+04 5.13997691E+01 4 CYC6H5C.C 9/20/ 1 C 8H 9 0 0G 300.000 5000.000 1392.000 21 2.05622133E+01 2.34610732E-02-8.13509225E-06 1.27483012E-09-7.44509194E-14 2 1.05713098E+04-8.81540489E+01-3.31507974E+00 8.07756773E-02-6.12842968E-05 3 2.39348137E-08-3.81358239E-12 1.87043759E+04 3.95290145E+01 4 CYC6H5CC 9/20/ 1 C 8H 10 0 0G 300.000 5000.000 1396.000 21 2.02158866E+01 2.57181400E-02-8.78778587E-06 1.36387819E-09-7.91252430E-14 2 -6.87601990E+03-8.60134130E+01-5.70126210E+00 8.90606644E-02-6.84365242E-05 3 2.70624855E-08-4.33907755E-12 1.79229957E+03 5.20981412E+01 4 C*CYHEPE. 9/20/ 1 C 8H 11 0 0G 300.000 5000.000 1390.000 01 2.22808035E+01 2.83834648E-02-9.93175814E-06 1.56572024E-09-9.18162872E-14 2 1.42245359E+04-1.01142045E+02-7.86735999E+00 1.01657813E-01-7.94872658E-05 3 3.22191756E-08-5.35253392E-12 2.44623639E+04 5.98531587E+01 4 C*CYHEPE 9/20/ 1 C 8H 12 0 0G 300.000 5000.000 1386.000 01 2.25229992E+01 3.08742402E-02-1.08252416E-05 1.70887290E-09-1.00304382E-13 2 -2.24513640E+03-1.03889956E+02-8.07616866E+00 1.01634405E-01-7.39313187E-05 3 2.76732335E-08-4.26761477E-12 8.51624856E+03 6.08107237E+01 4 INDENE. 9/20/ 1 C 9H 7 0 0G 300.000 5000.000 1403.000 01 2.02688239E+01 2.15321107E-02-7.36909530E-06 1.14521291E-09-6.65102995E-14 2 2.58931234E+04-8.66624311E+01-5.87514187E+00 8.60124652E-02-6.79522130E-05 3 2.68567609E-08-4.21572973E-12 3.44870177E+04 5.22967803E+01 4 INDENE 9/20/ 1 C 9H 8 0 0G 300.000 5000.000 1397.000 01 2.04879944E+01 2.40609483E-02-8.27860112E-06 1.29107637E-09-7.51619393E-14 2 9.43797390E+03-8.92732744E+01-6.14515075E+00 8.63024374E-02-6.28695532E-05 3 2.25989750E-08-3.19209488E-12 1.85488613E+04 5.35282163E+01 4 INDANEAL. 9/20/ 1 C 9H 9 0 0G 300.000 5000.000 1402.000 01 2.33804042E+01 2.34743775E-02-7.94566369E-06 1.22697492E-09-7.09832195E-14 2 1.14953585E+04-1.05649923E+02-9.08779394E+00 1.03169812E-01-8.17608237E-05 3 3.18030744E-08-4.84224898E-12 2.21324934E+04 6.69377245E+01 4 CC7H913V. 9/20/ 1 C 9H 9 0 0G 300.000 5000.000 1358.000 11 2.76888127E+01 2.74897843E-02-1.12828646E-05 1.96239356E-09-1.22794988E-13 2 2.89843462E+04-1.31211377E+02 5.83984547E+00 4.05229507E-02 1.83271085E-05 3 -2.88849571E-08 7.75678482E-12 4.08686107E+04 4.51759694E-01 4 INDANE 9/20/ 1 C 9H 10 0 0G 300.000 5000.000 1396.000 01 2.32452366E+01 2.60372137E-02-8.80964990E-06 1.35990396E-09-7.86497963E-14 2 -4.72484740E+03-1.06684659E+02-9.49106639E+00 1.04571759E-01-7.96364002E-05 3 2.98250087E-08-4.37320603E-12 6.20653831E+03 6.80148323E+01 4 CC7H1013V 9/20/ 1 C 9H 10 0 0G 300.000 5000.000 1367.000 11 2.68497521E+01 3.12381289E-02-1.26309152E-05 2.17353702E-09-1.34942984E-13 2 6.46140520E+02-1.28096042E+02 1.85182204E+00 5.98305487E-02-6.34348914E-06 3 -1.46714825E-08 4.78850760E-12 1.27546184E+04 1.74832491E+01 4 PHPH. 9/20/ 1 C 12H 9 0 0G 300.000 5000.000 1401.000 11 2.68838983E+01 2.86385819E-02-9.90655564E-06 1.54991255E-09-9.04128856E-14 2 3.90122337E+04-1.20470436E+02-9.32560033E+00 1.25325576E-01-1.10784777E-04 3 4.98574982E-08-8.93770329E-12 5.03441893E+04 6.96498745E+01 4 CLBIPHENY 9/20/ 1 C 12H 9CL 1 0G 300.000 5000.000 1402.000 11 3.08123550E+01 2.78463404E-02-9.63658310E-06 1.50844493E-09-8.80359533E-14 2 3.14421238E+03-1.40640141E+02-9.35628679E+00 1.35303883E-01-1.21274822E-04 3 5.44969575E-08-9.68383985E-12 1.56152362E+04 7.00645389E+01 4 PHPH C 12H 10 0 0G 300.000 5000.000 1400.000 11 2.82733475E+01 2.96604743E-02-1.01888761E-05 1.58717312E-09-9.23226681E-14 2 7.88559911E+03-1.31999320E+02-9.47843406E+00 1.27017592E-01-1.07291508E-04 3 4.58368499E-08-7.81009659E-12 1.99488776E+04 6.72822358E+01 4 BIPHENYL 9/20/ 1 C 12H 10 0 0G 300.000 5000.000 1399.000 11 2.80048847E+01 3.04182301E-02-1.05632235E-05 1.65703989E-09-9.68431697E-14 2 7.51452834E+03-1.30404203E+02-1.06222431E+01 1.30784097E-01-1.12105297E-04 3 4.88250011E-08-8.50243029E-12 1.98524507E+04 7.33482812E+01 4 CYC.OO 9/20/ 1 C 1H 1O 2 0G 300.000 5000.000 1412.000 01 7.65174216E+00 1.94290683E-03-6.62255278E-07 1.02816009E-10-5.97252070E-15 2 2.71935269E+04-1.60703763E+01 3.80252738E-01 2.45633896E-02-2.73624063E-05 3 1.41099043E-08-2.73996953E-12 2.91157036E+04 2.09173448E+01 4 PHCO2H 9/20/ 1 C 7H 6O 2 0G 300.000 5000.000 1394.000 21 2.00619468E+01 1.88876660E-02-6.57972114E-06 1.03440912E-09-6.05489733E-14 2 -4.71272288E+04-8.15308855E+01-3.25415376E+00 7.71322060E-02-6.29422075E-05 3 2.60727545E-08-4.34455504E-12-3.94501843E+04 4.22817589E+01 4 PHJCO2H 9/20/ 1 C 7H 5O 2 0G 300.000 5000.000 1398.000 21 1.89047627E+01 1.70972788E-02-5.91002883E-06 9.24266728E-10-5.39030381E-14 2 -1.55978104E+04-7.20397932E+01-1.95565689E+00 7.17086414E-02-6.17535082E-05 3 2.71883304E-08-4.79397540E-12-8.95954503E+03 3.78780375E+01 4 PHCO2J 9/20/ 1 C 7H 5O 2 0G 300.000 5000.000 1396.000 11 1.91392573E+01 1.73704294E-02-6.01744953E-06 9.42619650E-10-5.50424474E-14 2 -2.04510597E+04-7.56962257E+01-2.85294595E+00 7.27988064E-02-6.00129217E-05 3 2.50167818E-08-4.17670232E-12-1.32812921E+04 4.08747447E+01 4 CSOLID 121286C 1 S 0300.00 5000.00 1000.00 1 0.14901664E+01 0.16621256E-02-0.06687204E-05 0.12908796E-09-0.09205334E-13 2 -0.07074018E+04-0.08717785E+02-0.06705661E+01 0.07181499E-01-0.05632921E-04 3 0.02142298E-07-0.04168562E-11-0.07339498E+03 0.02601595E+02 4 C13H14 5/30/ 3 THERMC 13H 14 0 0G 300.000 5000.000 1399.000 31 3.36168968E+01 3.63652047E-02-1.23666630E-05 1.91368689E-09-1.10811011E-13 2 -7.23591556E+03-1.60837315E+02-9.37935580E+00 1.46230523E-01-1.20772234E-04 3 5.07605805E-08-8.53839847E-12 6.59834902E+03 6.64785646E+01 4 C13H28 5/29/ 3 THERMC 13H 28 0 0G 300.000 5000.000 1391.000 1 4.17711278E+01 6.06689949E-02-2.06096640E-05 3.18547559E-09-1.84253557E-13 2 -5.90073777E+04-1.88760072E+02-2.88964744E+00 1.59584226E-01-1.02746901E-04 3 3.36193517E-08-4.43515966E-12-4.29471855E+04 5.30316721E+01 4 C24H50 5/29/ 3 THERMC 24H 50 0 0G 300.000 5000.000 1814.000 1 6.68818333E+01 1.22083374E-01-4.28808630E-05 6.80288782E-09-4.01312572E-13 2 -9.81685943E+04-3.02088788E+02-6.01992297E+00 2.96167501E-01-1.95734301E-04 3 6.59924745E-08-9.01034039E-12-7.46172700E+04 8.61494066E+01 4 C13H26 5/29/ 3 THERMC 13H 26 0 0G 300.000 5000.000 1390.000 1 4.06253514E+01 5.68489538E-02-1.92684131E-05 2.97392572E-09-1.71854989E-13 2 -4.31050835E+04-1.80867062E+02-2.26812934E+00 1.52299554E-01-9.88698303E-05 3 3.25649111E-08-4.31195760E-12-2.77528659E+04 5.11519293E+01 4 C.H2OOH 9/20/ 1 C 1H 3O 2 0G 300.000 5000.000 1000.000 21 9.98306707E+00 4.46637686E-03-1.58950806E-06 2.53471314E-10-1.49844435E-14 2 3.38251745E+03-2.57217674E+01 2.76385887E+00 2.18770417E-02-1.74872976E-05 3 6.77796876E-09-1.02980015E-12 5.79359496E+03 1.27876125E+01 4 O(s) 92491O 1Rh 1 I 300.00 3000.00 1000.00 1 0.19454180E+01 0.91761647E-03-0.11226719E-06-0.99099624E-10 0.24307699E-13 2 -0.14005187E+05-0.11531663E+02-0.94986904E+00 0.74042305E-02-0.10451424E-05 3 -0.61120420E-08 0.33787992E-11-0.13209912E+05 0.36137905E+01 4 O2(s) 92491O 2Rh 1 I 300.00 3000.00 1000.00 1 0.35989249E+01 0.20437732E-02-0.23878221E-06-0.22041054E-09 0.53299430E-13 2 -0.41095444E+04-0.21604582E+02-0.20174649E+01 0.14146218E-01-0.16376665E-05 3 -0.11264421E-07 0.60101386E-11-0.25084473E+04 0.79811935E+01 4 H(s) 92491H 1Rh 1 I 300.00 3000.00 1000.00 1 0.10696996E+01 0.15432230E-02-0.15500922E-06-0.16573165E-09 0.38359347E-13 2 -0.50546128E+04-0.71555238E+01-0.13029877E+01 0.54173199E-02 0.31277972E-06 3 -0.32328533E-08 0.11362820E-11-0.42277075E+04 0.58743238E+01 4 H2(s) 92491H 2Rh 1 I 300.00 3000.00 1000.00 1 0.15330955E+01 0.34586885E-02-0.32622225E-06-0.36824219E-09 0.83855205E-13 2 -0.36401533E+04-0.10822206E+02-0.21517782E+01 0.87039210E-02 0.11154106E-05 3 -0.42477102E-08 0.96133203E-12-0.22640681E+04 0.97397461E+01 4 H2O(s) 92491O 1H 2Rh 1 I 300.00 3000.00 1000.00 1 0.25803051E+01 0.49570827E-02-0.46894056E-06-0.52633137E-09 0.11998322E-12 2 -0.38302234E+05-0.17406322E+02-0.27651553E+01 0.13315115E-01 0.10127695E-05 3 -0.71820083E-08 0.22813776E-11-0.36398055E+05 0.12098145E+02 4 OH(s) 92491O 1H 1Rh 1 I 300.00 3000.00 1000.00 1 0.18249973E+01 0.32501565E-02-0.31197541E-06-0.34603206E-09 0.79171472E-13 2 -0.26685492E+05-0.12280891E+02-0.20340881E+01 0.93662683E-02 0.66275214E-06 3 -0.52074887E-08 0.17088735E-11-0.25319949E+05 0.89863186E+01 4 Rh(s) Rh 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CO(s) 0C 1O 1Rh 1 S 300.00 3000.00 1000.00 1 0.47083778E+01 0.96037297E-03-0.11805279E-06-0.76883826E-10 0.18232000E-13 2 -0.32311723E+05-0.16719593E+02 0.48907466E+01 0.68134235E-04 0.19768814E-06 3 0.12388669E-08-0.90339249E-12-0.32297836E+05-0.17453161E+02 4 CO2(s) 081292C 1O 2Rh 1 I 300.00 3000.00 1000.00 1 0.46900000E+00 0.62660000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.50458700E+05-0.45550000E+01 0.46900000E+00 0.62662000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.50458700E+05-0.45550000E+01 4 C(s) 0C 1Rh 1 I 300.00 3000.00 1000.00 1 0.15792824E+01 0.36528701E-03-0.50657672E-07-0.34884855E-10 0.88089699E-14 2 0.99535752E+04-0.30240495E+01 0.58924019E+00 0.25012842E-02-0.34229498E-06 3 -0.18994346E-08 0.10190406E-11 0.10236923E+05 0.21937017E+01 4 CH(s) 0C 1H 1Rh 1 I 300.00 3000.00 1000.00 1 -0.48242472E-02 0.30446239E-02-0.16066099E-06-0.29041700E-09 0.57999924E-13 2 0.22595219E+05 0.56677818E+01 0.84157485E+00 0.13095380E-02 0.28464575E-06 3 0.63862904E-09-0.42766658E-12 0.22332801E+05 0.11452305E+01 4 CH2(s) 0C 1H 2Rh 1 I 300.00 3000.00 1000.00 1 0.74076122E+00 0.48032533E-02-0.32825633E-06-0.47779786E-09 0.10073452E-12 2 0.10443752E+05 0.40842086E+00-0.14876404E+00 0.51396289E-02 0.11211075E-05 3 -0.82755452E-09-0.44572345E-12 0.10878700E+05 0.57451882E+01 4 CH3(s) 0C 1H 3Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 HCO(s) 0C 1H 1O 1Rh 1S 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 CH4(s) 0C 1H 4Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C3H7(s) 0C 3H 7Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C3H6(s) 0C 3H 6Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C2H3(s) 0C 2H 3Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C3H8(s) 0C 3H 8Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 HO2(s) 0H 1O 2Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C2H5(s) 0C 2H 5Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C3H5(s) 0C 3H 5Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C2H(s) 0C 2H 1Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 H2O2(s) 0H 2O 2Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 CH2O(s) H 2O 1Rh 1C 1I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 HCO(s) H 1O 1Rh 1C 1I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 CH3OH(s) H 4O 1Rh 1C 1I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 HCOH(s) H 2O 1Rh 1C 1I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C@CC.(s) 0C 3H 3Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 C3H3(s) 0C 3H 3Rh 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 (C) 0C 1Rh 1 I 300.00 3000.00 1000.00 1 0.15792824E+01 0.36528701E-03-0.50657672E-07-0.34884855E-10 0.88089699E-14 2 0.99535752E+04-0.30240495E+01 0.58924019E+00 0.25012842E-02-0.34229498E-06 3 -0.18994346E-08 0.10190406E-11 0.10236923E+05 0.21937017E+01 4 COOH(s) C 1H 1O 2Rh 1I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 END