CH4 C 1H 4 0 0 300.00 5000.00 1000.00 1 1.68347883E+00 1.02372356E-02-3.87512864E-06 6.78558487E-10-4.50342312E-14 2 -1.00807871E+04 9.62339497E+00 7.78741479E-01 1.74766835E-02-2.78340904E-05 3 3.04970804E-08-1.22393068E-11-9.82522852E+03 1.37221947E+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 CO C 1O 1 0 0 300.00 5000.00 1000.00 1 3.02507806E+00 1.44268852E-03-5.63082779E-07 1.01858133E-10-6.91095156E-15 2 -1.42683496E+04 6.10821772E+00 3.26245165E+00 1.51194085E-03-3.88175522E-06 3 5.58194424E-09-2.47495123E-12-1.43105391E+04 4.84889698E+00 4 CO2 C 1O 2 0 0 300.00 5000.00 1000.00 1 4.45362282E+00 3.14016873E-03-1.27841054E-06 2.39399667E-10-1.66903319E-14 2 -4.89669609E+04-9.55395877E-01 2.27572465E+00 9.92207229E-03-1.04091132E-05 3 6.86668678E-09-2.11728009E-12-4.83731406E+04 1.01884880E+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 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 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 NI(s) (adjust) NI 1 0 0 0 300.00 3000.00 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(s) (adjust) H 2O 1PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.28621348E+04 1.57219174E+01 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.28621348E+04 1.57219174E+01 4 H(s) (adjust) H 1PT 1 0 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.82656399E+03 4.89898398E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.82656399E+03 4.89898398E+00 4 COOH(s) (adjust) C 1H 1O 2PT 1 300.00 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 OH(s) (adjust) H 1O 1PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.31833113E+04 1.28038592E+01 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.31833113E+04 1.28038592E+01 4 CO(s) (adjust) C 1O 1 0 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.37539453E+04 1.96355620E+01 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.37539453E+04 1.96355620E+01 4 C(s) (adjust) C 1PT 1 0 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -9.60170600E+02-9.94267012E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-9.60170600E+02-9.94267012E+00 4 CH3(s) (adjust) C 1H 3PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.58843376E+03 3.36230167E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.58843376E+03 3.36230167E+00 4 CH2(s) (adjust) C 1H 2PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 5.94161025E+03 2.12413716E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 5.94161025E+03 2.12413716E+00 4 CH(s) (adjust) C 1H 1PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 1.22543876E+04-2.56790500E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.22543876E+04-2.56790500E+00 4 CH4(s) (adjust) C 1H 4PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.27928907E+03 8.44319611E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.27928907E+03 8.44319611E+00 4 O(s) (adjust) O 1PT 1 0 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.66580549E+04 4.68860658E+00 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.66580549E+04 4.68860658E+00 4 CO2(s) (adjust) C 1O 2PT 1 0 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.59500678E+04 2.14541635E+01 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.59500678E+04 2.14541635E+01 4 HCO(s) (adjust) C 1H 1O 1PT 1 293.00 5000.00 5000.00 1 1.00000000E-99 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.21882034E+04 1.49580180E+01 1.00000000E-99 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.21882034E+04 1.49580180E+01 4