(a) adjust PD 1 0 0 0 300.00 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 (b) adjust PD 1O 1 0 0 300.00 5000.00 1000.00 1 1.71993455E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.39273534E+04-6.46025036E+00 1.71993455E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.39273534E+04-6.46025036E+00 4 AR AR 1 0 0 0 300.00 5000.00 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375020E+02 4.36600060E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45374980E+02 4.36600060E+00 4 CH(a) adjust C 1H 1PD 1 0 300.00 5000.00 1000.00 1 2.61856351E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.27207712E+04-1.52676132E+01 2.61856351E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.27207712E+04-1.52676132E+01 4 CH2(a) adjust C 1H 2PD 1 0 300.00 5000.00 1000.00 1 3.63989244E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 1.03167232E+04-1.93702832E+01 3.63989244E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.03167232E+04-1.93702832E+01 4 CH2(b) adjust C 1H 2O 1PD 1 300.00 5000.00 1000.00 1 5.36167773E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.54661545E+04-2.67383905E+01 5.36167773E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.54661545E+04-2.67383905E+01 4 CH2O SSNL121286C 1H 2O 10 0G 300.000 5000.000 1 2.99560618E+00 6.68132119E-03-2.62895469E-06 4.73715289E-10-3.21251747E-14 2 -1.53203691E+04 6.91257238E+00 1.65273118E+00 1.26314387E-02-1.88816848E-05 3 2.05003143E-08-8.41323712E-12-1.48654043E+04 1.37848196E+01 4 CH2O(a) adjust C 1H 2O 1PD 1 300.00 5000.00 1000.00 1 5.38116373E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.46518139E+04-2.25413644E+01 5.38116373E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.46518139E+04-2.25413644E+01 4 CH2OH(a) adjust C 1H 3O 1PD 1 300.00 5000.00 1000.00 1 6.40507565E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.57902881E+04-3.08515258E+01 6.40507565E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.57902881E+04-3.08515258E+01 4 CH3(a) adjust C 1H 3PD 1 0 300.00 5000.00 1000.00 1 4.68090346E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.37417030E+03-2.01703996E+01 4.68090346E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.37417030E+03-2.01703996E+01 4 CH3(b) adjust C 1H 3O 1PD 1 300.00 5000.00 1000.00 1 6.41847326E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.17775262E+04-2.96067558E+01 6.41847326E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.17775262E+04-2.96067558E+01 4 CH4 C 1H 4 0 0 300.00 5000.00 1000.00 1 1.68347880E+00 1.02372360E-02-3.87512860E-06 6.78558490E-10-4.50342310E-14 2 -1.00807870E+04 9.62339500E+00 7.78741480E-01 1.74766830E-02-2.78340900E-05 3 3.04970800E-08-1.22393070E-11-9.82522850E+03 1.37221950E+01 4 CHO(a) adjust C 1H 1O 1PD 1 300.00 5000.00 1000.00 1 4.35470340E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.37281022E+04-2.13097531E+01 4.35470340E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.37281022E+04-2.13097531E+01 4 CHO(b) adjust C 1H 1O 2PD 1 300.00 5000.00 1000.00 1 6.10298744E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -5.13295068E+04-2.66372626E+01 6.10298744E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-5.13295068E+04-2.66372626E+01 4 CO C 1O 1 0 0 300.00 5000.00 1000.00 1 3.02507810E+00 1.44268850E-03-5.63082780E-07 1.01858130E-10-6.91095160E-15 2 -1.42683500E+04 6.10821770E+00 3.26245170E+00 1.51194090E-03-3.88175520E-06 3 5.58194420E-09-2.47495120E-12-1.43105390E+04 4.84889700E+00 4 CO(a) adjust C 1O 1PD 1 0 300.00 5000.00 1000.00 1 3.32217100E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.99110607E+04-1.67928525E+01 3.32217100E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.99110607E+04-1.67928525E+01 4 CO(b) adjust C 1O 2PD 1 0 300.00 5000.00 1000.00 1 5.06306974E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -5.19183784E+04-2.36526248E+01 5.06306974E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-5.19183784E+04-2.36526248E+01 4 CO2 C 1O 2 0 0 300.00 5000.00 1000.00 1 4.45362280E+00 3.14016870E-03-1.27841050E-06 2.39399670E-10-1.66903320E-14 2 -4.89669610E+04-9.55395880E-01 2.27572460E+00 9.92207230E-03-1.04091130E-05 3 6.86668680E-09-2.11728010E-12-4.83731410E+04 1.01884880E+01 4 CO2(a) adjust C 1O 2PD 1 0 300.00 5000.00 1000.00 1 5.09141923E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -5.67369499E+04-2.25361911E+01 5.09141923E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-5.67369499E+04-2.25361911E+01 4 H(a) adjust H 1PD 1 0 0 300.00 5000.00 1000.00 1 1.03872598E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.42246602E+04-2.42980387E+00 1.03872598E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.42246602E+04-2.42980387E+00 4 H(b) adjust H 1O 1PD 1 0 300.00 5000.00 1000.00 1 2.75746882E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.20411250E+04-1.04523498E+01 2.75746882E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.20411250E+04-1.04523498E+01 4 H2 H 2 0 0 0 300.00 5000.00 1000.00 1 3.06670950E+00 5.74737550E-04 1.39383190E-08-2.54835180E-11 2.90985740E-15 2 -8.65474120E+02-1.77984240E+00 3.35535140E+00 5.01361440E-04-2.30069080E-07 3 -4.79053240E-10 4.85225850E-13-1.01916260E+03-3.54772280E+00 4 H2(a) H 2PD 1 0 0 300.00 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 H2O H 2O 1 0 0 300.00 5000.00 1000.00 1 2.61104720E+00 3.15631300E-03-9.29854380E-07 1.33315380E-10-7.46893510E-15 2 -2.98681670E+04 7.20912680E+00 4.16772340E+00-1.81149700E-03 5.94712880E-06 3 -4.86920210E-09 1.52919910E-12-3.02899690E+04-7.31354740E-01 4 H2O(a) adjust H 2O 1 0PD 1 300.00 5000.00 1000.00 1 3.82772705E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.26572956E+04-1.25686814E+01 3.82772705E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.26572956E+04-1.25686814E+01 4 HCOO(a) adjust C 1H 1O 2PD 1 300.00 5000.00 1000.00 1 6.12395163E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -5.17420507E+04-2.39132659E+01 6.12395163E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-5.17420507E+04-2.39132659E+01 4 HOH2O(a) C 0H 3O 2PD 2 300.00 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 He L 5/66HE 100 000 000 0G 300.000 5000.000 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45374980E+02 9.15348880E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45374980E+02 9.15348840E-01 4 N2 N 2 0 0 0 300.00 5000.00 1000.00 1 2.85328990E+00 1.60221280E-03-6.29368930E-07 1.14410220E-10-7.80574650E-15 2 -8.90080930E+02 6.39648970E+00 3.70441770E+00-1.42187530E-03 2.86703920E-06 3 -1.20288850E-09-1.39546770E-14-1.06407950E+03 2.23362850E+00 4 O(a) adjust O 1PD 1 0 0 300.00 5000.00 1000.00 1 1.69650074E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 3.32464097E+03-6.48389743E+00 1.69650074E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 3.32464097E+03-6.48389743E+00 4 O(b) adjust O 2PD 1 0 0 300.00 5000.00 1000.00 1 3.37182705E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.08048782E+04-1.54423838E+01 3.37182705E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.08048782E+04-1.54423838E+01 4 O2 O 2 0 0 0 300.00 5000.00 1000.00 1 3.61221390E+00 7.48531660E-04-1.98206470E-07 3.37490080E-11-2.39073740E-15 2 -1.19781510E+03 3.67033070E+00 3.78371350E+00-3.02336340E-03 9.94927510E-06 3 -9.81891010E-09 3.30318250E-12-1.06381070E+03 3.64163450E+00 4 O2(a) adjust O 2PD 1 0 0 300.00 5000.00 1000.00 1 3.37770883E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -8.83806063E+03-1.56615406E+01 3.37770883E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-8.83806063E+03-1.56615406E+01 4 OH(a) adjust O 1H 1PD 1 0 300.00 5000.00 1000.00 1 2.77923233E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.47394984E+04-9.84669848E+00 2.77923233E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.47394984E+04-9.84669848E+00 4 vac(b) adjust PD 1 0 0 0 300.00 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