NO J 6/63N 1O 100 000 0G 300.000 5000.000 1 0.31890000E 01 0.13382281E-02-0.52899318E-06 0.95919332E-10-0.64847932E-14 2 0.98283290E 04 0.67458126E 01 0.40459521E 01-0.34181783E-02 0.79819190E-05 3 -0.61139316E-08 0.15919076E-11 0.97453934E 04 0.29974988E 01 4 NO2 J 9/64N 1O 200 000 0G 300.000 5000.000 1 0.46240771E 01 0.25260332E-02-0.10609498E-05 0.19879239E-09-0.13799384E-13 2 0.22899900E 04 0.13324138E 01 0.34589236E 01 0.20647064E-02 0.66866067E-05 3 -0.95556725E-08 0.36195881E-11 0.28152265E 04 0.83116983E 01 4 N2 J 3/77N 20 00 00 0G 200.000 6000.000 1000.000 1 2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15 2 -9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07 3 2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00 4 O2 J 3/77O 20 00 00 0G 300.000 5000.000 1 0.36122139E+01 0.74853166E-03-0.19820647E-06 0.33749008E-10-0.23907374E-14 2 -0.11978151E+04 0.36703307E+01 0.37837135E+01-0.30233634E-02 0.99492751E-05 3 -0.98189101E-08 0.33031825E-11-0.10638107E+04 0.36416345E+01 4 O J 3/77O 100 000 000 0G 300.000 5000.000 R1 0.25342961E+01-0.12478170E-04-0.12562724E-07 0.69029862E-11-0.63797095E-15 2 0.29231108E+05 0.49628591E+01 0.30309401E+01-0.22525853E-02 0.39824540E-05 3 -0.32604921E-08 0.10152035E-11 0.29136526E+05 0.26099342E+01 4 CO2 L 7/88C 1O 2 0 0G 200.000 6000.000 1000.000 1 4.63651110E+00 2.74145690E-03-9.95897590E-07 1.60386660E-10-9.16198570E-15 2 -4.90249040E+04-1.93489550E+00 2.35681300E+00 8.98412990E-03-7.12206320E-06 3 2.45730080E-09-1.42885480E-13-4.83719710E+04 9.90090350E+00 4 HCN(g) J 3/79C 1N 1H 1 G 300.000 2000.000 800.000 1 3.80231648E+00 3.14630087E-03-1.06315727E-06 1.66185438E-10-9.79891962E-15 2 1.42849502E+04 1.57501632E+00 2.25901199E+00 1.00510475E-02-1.33514567E-05 3 1.00920479E-08-3.00880408E-12 1.45903166E+04 8.91631960E+00 4 H2O J 3/79H 2O 10 0 G 200.000 6000.000 1000.000 1 2.67703890E+00 2.97318160E-03-7.73768890E-07 9.44335140E-11-4.26899910E-15 2 -2.98858940E+04 6.88255000E+00 4.19863520E+00-2.03640170E-03 6.52034160E-06 3 -5.48792690E-09 1.77196800E-12-3.02937260E+04-8.49009010E-01 4 H2O(l) J 3/79H 2O 100 000 0L 273.150 600.0 1 7.25575005E+01-6.62445402E-01 2.56198746E-03-4.36591923E-06 2.78178981E-09 2 -4.18865499E+04-2.88280137E+02 7.25575005E+01-6.62445402E-01 2.56198746E-03 3 -4.36591923E-06 2.78178981E-09-4.18865499E+04-2.88280137E+02 4 HNCO J 3/79C 1N 1H 1O 1G 200.000 6000.000 1000.000 1 5.30045051E+00 4.02250821E-03-1.40962280E-06 2.23855342E-10-1.32499966E-14 2 -1.61995274E+04-3.11770684E+00 2.24009031E+00 1.45600497E-02-1.54352330E-05 3 8.55535028E-09-1.79631611E-12-1.54589951E+04 1.21663775E+01 4 HNCO(aq) J 3/79C 1N 1H 1O 1L 313.000 500.000 1 5.42104492E+00 3.87779945E-03-1.35533061E-06 2.15908655E-10-1.28546607E-14 2 -2.03499148E+04-1.83045774E+01 5.42104492E+00 3.87779945E-03-1.35533061E-06 3 2.15908655E-10-1.28546607E-14-2.03499148E+04-1.83045774E+01 4 HNCO(l) J 3/79C 1N 1H 1O 1L 300.000 1500.000 1 1.17416801E+01-2.21709747E-02 3.86833525E-05-2.61489306E-08 6.24089818E-12 2 -2.06264086E+04-4.51279792E+01 1.17416801E+01-2.21709747E-02 3.86833525E-05 3 -2.61489306E-08 6.24089818E-12-2.06264086E+04-4.51279792E+01 4 NH3 J 3/79H 3N 10 0 G 300.000 1500.000 1 2.09566674E+00 6.14750045E-03-2.00328925E-06 3.01334626E-10-1.71227204E-14 2 -6.30945436E+03 9.59574081E+00 4.46075151E+00-5.68781763E-03 2.11411484E-05 3 -2.02849980E-08 6.89500555E-12-6.70753514E+03-1.34450793E+00 4 NH3(aq) J 3/79H 3N 10 0 L 273.000 373.000 1 5.34407604E+00 5.53852966E-03-1.97421300E-06 3.00835751E-10-1.71199316E-14 2 -9.55184403E+03-1.78383952E+01 5.34407604E+00 5.53852966E-03-1.97421300E-06 3 3.00835751E-10-1.71199316E-14-9.55184403E+03-1.78383952E+01 4 NH3(l) J 3/79H 3N 10 0 L 200.000 400.000 1 9.47974387E+00-2.17989318E-02 3.80821042E-05-2.48154987E-08 5.73360060E-12 2 -1.03928295E+04-3.74317361E+01 9.47974387E+00-2.17989318E-02 3.80821042E-05 3 -2.48154987E-08 5.73360060E-12-1.03928295E+04-3.74317361E+01 4 ammd(s) J 3/79C 3N 4H 4O 2S 300.000 1500.000 500.000 1 2.51995250E-01 7.21681024E-02-6.83783230E-05 3.71582288E-08-8.78187782E-12 2 -6.20277191E+04-2.28345276E+00 2.51995250E-01 7.21681024E-02-6.83783230E-05 3 3.71582288E-08-8.78187782E-12-6.20277191E+04-2.28345276E+00 4 ammn(s) J 3/79C 3N 5H 5O 1S 300.000 1500.000 500.000 1 2.51995144E-01 7.21681029E-02-6.83783240E-05 3.71582296E-08-8.78187803E-12 2 -3.88271739E+04-2.28345229E+00 2.51995144E-01 7.21681029E-02-6.83783240E-05 3 3.71582296E-08-8.78187803E-12-3.88271739E+04-2.28345229E+00 4 biu(g) C 2N 3H 5O 2G 100.000 1500.000 500.000 1 -3.37348672E-01 7.03835430E-02-8.94699561E-05 6.77723865E-08-2.20019943E-11 2 -5.49538013E+04 2.69795128E+01-3.37348672E-01 7.03835430E-02-8.94699561E-05 3 6.77723865E-08-2.20019943E-11-5.49538013E+04 2.69795128E+01 4 biu(l) C 2N 3H 5O 2L 100.000 1500.000 500.000 1 1.11855734E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -6.79267938E+04-3.92774872E+01 1.11855734E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-6.79267938E+04-3.92774872E+01 4 biu(s) J 3/79C 2N 3H 5O 2S 100.000 1500.000 500.000 1 1.57917656E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.25034957E+04-7.23953678E+01 1.57917656E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.25034957E+04-7.23953678E+01 4 cya(g) J 3/79C 3N 3H 3O 3G 300.000 1000.000 1000.000 1 1.71915339E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -8.96983399E+04-9.27710260E+01 1.71915339E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-8.96983399E+04-9.27710260E+01 4 cya(s) J 3/79C 3N 3H 3O 3S 300.000 1000.000 1000.000 1 1.71915339E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -8.96983399E+04-9.27710260E+01 1.71915339E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-8.96983399E+04-9.27710260E+01 4 melem(s) J 3/79C 6N 10H 6 S 300.000 1500.000 500.000 1 1.30100000E+00 6.40000000E-02-5.17700000E-05 2.27700000E-08-4.54200000E-12 2 -1.85013486E+04-7.90422994E+00 1.30100000E+00 6.40000000E-02-5.17700000E-05 3 2.27700000E-08-4.54200000E-12-1.85013486E+04-7.90422994E+00 4 triu(l) C 3N 4H 6O 3L 100.000 1500.000 500.000 1 1.89300000E+00 5.05200000E-02-2.40600000E-05 2.15700000E-12-9.61000000E-16 2 -7.04396683E+04 1.60478373E+01 1.89300000E+00 5.05200000E-02-2.40600000E-05 3 2.15700000E-12-9.61000000E-16-7.04396683E+04 1.60478373E+01 4 triu(s) C 3N 4H 6O 3S 100.000 1500.000 500.000 1 1.57917657E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -9.13030728E+04-4.86384249E+01 1.57917657E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-9.13030728E+04-4.86384249E+01 4 urea(aq) J 3/79C 1N 2H 4O 1L 300.000 500.00 1 5.20808968E+00 8.75549199E-03-3.77147176E-06 6.08811502E-10-3.25671974E-14 2 -4.10431486E+04-1.74687703E+01 5.20808968E+00 8.75549199E-03-3.77147176E-06 3 6.08811502E-10-3.25671974E-14-4.10431486E+04-1.74687703E+01 4 urea(g) J 3/79C 1N 2H 4O 1G 200.000 6000.000 1000.000 1 1.03465230E+01 8.95410779E-03-3.10367689E-06 4.89573387E-10-2.88531892E-14 2 -3.20127628E+04-2.69745331E+01-2.10707501E-01 4.36948607E-02-4.60607638E-05 3 2.36547939E-08-4.42050926E-12-2.94198537E+04 2.60661959E+01 4 urea(l) J 3/79C 1N 2H 4O 1L 0.000 1000.000 500.000 1 1.11861920E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.17120034E+04-4.67960457E+01 1.11861920E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.17120034E+04-4.67960457E+01 4 urea(s) J 3/79C 1N 2H 4O 1S 0.000 1000.000 500.000 1 1.11861920E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.34584551E+04-5.10992409E+01 1.11861920E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.34584551E+04-5.10992409E+01 4 H2NCN(s) J 3/79C 1N 2H 2 G 300.000 2000.000 800.000 1 3.80231648E+00 3.14630087E-03-1.06315727E-06 1.66185438E-10-9.79891962E-15 2 1.42849502E+04 1.57501632E+00 2.25901199E+00 1.00510475E-02-1.33514567E-05 3 1.00920479E-08-3.00880408E-12 1.45903166E+04 8.91631960E+00 4 NH(x) J 3/79N 1H 1 G 300.000 2000.000 1100.000 1 2.11000000E+00 2.63000000E-03-1.28000000E-06 3.09400000E-10-2.83200000E-01 2 4.42468612E+04 1.74100441E+00 3.53000000E+00-2.38000000E-04 4.58500000E-07 3 3.04800000E-17-1.25100000E-20 4.42468612E+04 1.74100441E+00 4 Ti(s) Ti 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 TiO(s) Ti 1O 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 TiO2(s) Ti 1O 2 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 V(s) V 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 NO(s) N 1O 1Ti 1 S 300.00 5000.00 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 NO2(s) N 1O 1Ti 1 S 300.00 5000.00 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 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 END