O H C N
CH4 O2 CO2 H2O CO H2 HO2 H OH O CH3 H2O2 CH2O HCO CH3O N2
300.0
101325.0
H:2
TPIS78
2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
-7.376117610E-12, -9.179351730E+02, 6.830102380E-01
3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
2.002553760E-14, -9.501589220E+02, -3.205023310E+00
linear
38.000
2.920
0.000
0.790
280.000
H:1 C:1 O:1
L12/89
4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08,
4.337688650E-12, 3.839564960E+03, 3.394372430E+00
2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10,
-5.335087110E-14, 4.011918150E+03, 9.798344920E+00
nonlinear
498.000
3.590
0.000
0.000
0.000
H:2 C:1 O:1
L 8/88
4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08,
1.317726520E-11, -1.430895670E+04, 6.028129000E-01
1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09,
-8.838556400E-14, -1.399583230E+04, 1.365632300E+01
nonlinear
498.000
3.590
0.000
0.000
2.000
H:2 O:2
L 7/88
4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08,
8.624543630E-12, -1.770258210E+04, 3.435050740E+00
4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10,
-2.879083050E-14, -1.786178770E+04, 2.916156620E+00
nonlinear
107.400
3.460
0.000
0.000
3.800
H:3 C:1
L11/89
3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09,
2.543857340E-12, 1.644499880E+04, 1.604564330E+00
2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10,
-4.671543940E-14, 1.677558430E+04, 8.480071790E+00
linear
144.000
3.800
0.000
0.000
0.000
H:1
L 7/88
2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18,
-9.277323320E-22, 2.547365990E+04, -4.466828530E-01
2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18,
4.981973570E-22, 2.547365990E+04, -4.466829140E-01
atom
145.000
2.050
0.000
0.000
0.000
H:3 C:1 O:1
121686
2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09,
2.075610000E-12, 9.786011000E+02, 1.315217700E+01
3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10,
-2.112616000E-14, 1.278325200E+02, 2.929575000E+00
nonlinear
417.000
3.690
1.700
0.000
2.000
O:1
L 1/90
3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09,
2.112659710E-12, 2.912225920E+04, 2.051933460E+00
2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11,
1.228336910E-15, 2.921757910E+04, 4.784338640E+00
atom
80.000
2.750
0.000
0.000
0.000
O:2
TPIS89
3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09,
3.243728370E-12, -1.063943560E+03, 3.657675730E+00
3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10,
-2.167177940E-14, -1.088457720E+03, 5.453231290E+00
linear
107.400
3.460
0.000
1.600
3.800
H:1 O:1
RUS 78
3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09,
1.364114700E-12, 3.615080560E+03, -1.039254580E-01
3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11,
1.174123760E-14, 3.858657000E+03, 4.476696100E+00
linear
80.000
2.750
0.000
0.000
0.000
H:2 O:1
L 8/89
4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
1.771978170E-12, -3.029372670E+04, -8.490322080E-01
3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
1.682009920E-14, -3.000429710E+04, 4.966770100E+00
nonlinear
572.400
2.600
1.840
0.000
4.000
H:1 O:2
L 5/89
4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08,
9.292251240E-12, 2.948080400E+02, 3.716662450E+00
4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10,
-1.079085350E-14, 1.118567130E+02, 3.785102150E+00
nonlinear
107.400
3.460
0.000
0.000
1.000
H:4 C:1
L 8/88
5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08,
1.666939560E-11, -1.024664760E+04, -4.641303760E+00
7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09,
-1.018152300E-13, -9.468344590E+03, 1.843731800E+01
nonlinear
141.400
3.750
0.000
2.600
13.000
C:1 O:1
TPIS79
3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10,
-9.044244990E-13, -1.434408600E+04, 3.508409280E+00
2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10,
-2.036477160E-14, -1.415187240E+04, 7.818687720E+00
linear
98.100
3.650
0.000
1.950
1.800
C:1 O:2
L 7/88
2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09,
-1.436995480E-13, -4.837196970E+04, 9.901052220E+00
3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10,
-4.720841640E-14, -4.875916600E+04, 2.271638060E+00
linear
244.000
3.760
0.000
2.650
2.100
N:2
121286
3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09,
-2.444854000E-12, -1.020899900E+03, 3.950372000E+00
2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10,
-6.753351000E-15, -9.227977000E+02, 5.980528000E+00
linear
97.530
3.620
0.000
1.760
4.000
H + O2 [=] O + OH
8.300000E+10
0
14413.000000
H:1.0 O2:1
O:1.0 OH:1
O + H2 [=] H + OH
5.000000E+01
2.7
6290.000000
H2:1 O:1.0
H:1.0 OH:1
OH + H2 [=] H + H2O
2.160000E+05
1.5
3430.000000
H2:1 OH:1.0
H:1.0 H2O:1
OH + OH [=] O + H2O
3.570000E+01
2.4
-2110.000000
OH:2.0
H2O:1 O:1.0
H + O2 + M [=] HO2 + M
2.800000E+12
-0.86
0.000000
CO:0.75 CO2:1.5
H:1.0 O2:1
HO2:1.0
H + HO2 [=] 2 OH
1.340000E+11
0.0
635.000000
H:1.0 HO2:1
OH:2.0
H + HO2 [=] O2 + H2
2.800000E+10
0
1068.000000
H:1.0 HO2:1
H2:1 O2:1.0
OH + HO2 [=] O2 + H2O
2.900000E+10
0
-500.000000
HO2:1 OH:1.0
H2O:1 O2:1.0
OH + CO [=] H + CO2
4.760000E+04
1.2
70.000000
CO:1 OH:1.0
H:1.0 CO2:1
H + CH3 (+ M) [=] CH4 (+ M)
1.270000E+13
-0.6
383.000000
2.477000E+27
-4.76
2440.000000
CH4:3 CO:1.5 CO2:2 H2:2 H2O:6
0.783 74 2941 6964
H:1.0 CH3:1
CH4:1.0
H + CH4 [=] CH3 + H2
6.600000E+05
1.6
10840.000000
H:1.0 CH4:1
H2:1 CH3:1.0
OH + CH4 [=] CH3 + H2O
1.000000E+05
1.6
3120.000000
CH4:1 OH:1.0
H2O:1 CH3:1.0
O + CH3 [=] H + CH2O
8.430000E+10
0
0.000000
CH3:1 O:1.0
CH2O:1 H:1.0
H + CH2O [=] HCO + H2
2.300000E+07
1.1
3275.000000
CH2O:1 H:1.0
H2:1 HCO:1.0
OH + CH2O [=] HCO + H2O
3.430000E+06
1.2
-447.000000
CH2O:1 OH:1.0
H2O:1 HCO:1.0
H + HCO [=] H2 + CO
7.340000E+10
0
0.000000
H:1.0 HCO:1
H2:1.0 CO:1
HCO + M [=] H + CO + M
1.870000E+14
-1.0
17000.000000
HCO:1.0
H:1.0 CO:1
CH3 + O2 [=] O + CH3O
2.680000E+10
0
28800.000000
CH3:1.0 O2:1
CH3O:1 O:1.0
H + CH3O [=] H2 + CH2O
2.000000E+10
0
0.000000
H:1.0 CH3O:1
H2:1.0 CH2O:1
H + CH2O (+ M) [=] CH3O (+ M)
5.400000E+08
0.5
2600.000000
2.200000E+24
-4.8
5560.000000
CH4:2 CO:1.5 CO2:2 H2:2 H2O:6
0.758 94 1555 4200
CH2O:1 H:1.0
CH3O:1.0
2 HO2 [=] O2 + H2O2
1.300000E+08
0
-1630.000000
HO2:2.0
O2:1.0 H2O2:1
2 HO2 [=] O2 + H2O2
4.200000E+11
0
12000.000000
HO2:2.0
O2:1.0 H2O2:1
2 OH (+ M) [=] H2O2 (+ M)
7.400000E+10
-0.4
0.000000
2.300000E+12
-0.9
-1700.000000
CH4:2 CO:1.5 CO2:2 H2:2 H2O:6
0.7346 94 1756 5182
OH:2.0
H2O2:1.0
OH + H2O2 [=] HO2 + H2O
1.750000E+09
0
320.000000
H2O2:1 OH:1.0
H2O:1 HO2:1.0
OH + H2O2 [=] HO2 + H2O
5.800000E+11
0
9560.000000
H2O2:1 OH:1.0
H2O:1 HO2:1.0
H + OH + M [=] H2O + M
2.200000E+16
-2.0
0.000000
H2:0.73 H2O:3.65 CH4:2.0
H:1.0 OH:1
H2O:1.0
H + H + M [=] H2 + M
1.000000E+12
-1
0.000000
H2:0.0 H2O:0.0 CH4:2.0 CO2:0.0
H:2.0
H2:1.0