#######################################################
! Z153 mechanism, multicomponent fuel mixture.
! Fuel molecules: IC8H18, NC10H22, NC12H26, IC12H26,
! DECALIN, TMBENZ, C10H7CH3
!
! Use all seven fuel components or
! any combination of the seven.
! Develped by N. Zetttervall at FOI, Sweden 2024-05-06
!
! #######################################################

ELEM
H O C N
END

SPECIES
NC12H26
NC12H25 ! 1/2/7THERM
NC12H25O2
NC12H24OOH
NC12H24 ! 1/22/7THERM
NC12ket
NOOC12H24OOH
C5H11CO ! 2/29/96
IC12H26
IC12H25
IC12H25O2
IC12H24OOH
IC12H24 ! 1/22/7THERM
IC12ket
IOOC12H24OOH
NC10H22 ! DECANET5/99
C10H21 ! n-decylP10/83
C10H21O2 ! 6/26/7THERM
C10H20OOH ! 6/26/7THERM
C10H20 ! 3-decene-T3/00
C10ket
OOC10H20OOH ! 7/6/7THERM
IC8H18
C8H17
C8H17O2
C8H16OOH
C8H16
C8ket
OOC8H16OOH
C10H7CH3
C10H7
C5H4
C4H4
C4H3
C4H2
TMBENZ ! 9/25/17GOK17
O-XYLCH2 ! 9/25/17GOK17
O-XYLCH2OO ! 25/17GOK17
O-CH2TOLCH2OOH ! 17GOK17
O2CH2TOLCH2OOH ! 17GOK17
TMBKET ! 9/25/17GOK17
DECALIN
RDECALIN
RDECOO
QDECOOH
ZDECA
KHDECA
C10H16
C2H5 ! ethylradicIU1/07
C2H4
C2H3 ! VinylRadiATcT/A
C2H2 ! acetyleneg1/91
C2H
CH2 ! SINGLETIU3/03
CH
CH4 ! RRHOg8/99
CH3
CH3O ! METHOXYRADIU1/03
CH2O ! Formaldehydeg8/88
HCO
CO
CO2
O2 ! REFELEMENTRUS89
N2 ! REFELEMENTG8/02
H2O
H
O
OH ! HYDROXYLRADIIU3/03
H2 ! REFELEMENTtpis78
HO2
H2O2
END

THERMO ALL
200.000 1000.000 6000.000

NC12H26 C 12H 26 G200.000 6000.000 1000.000 1
3.70187925E+01 5.54721488E-02-1.92079548E-05 3.08175574E-09-1.84800617E-13 2
-5.26984458E+04-1.61453501E+02 2.13264480E+01-3.86394002E-02 3.99476113E-04 3
-5.06681097E-07 2.00697878E-10-4.22475053E+04-4.85848300E+01 4
NC12H25 C 12H 25 G300.000 5000.000 1385.000 1
3.79688268E+01 5.38719464E-02-1.82171263E-05 2.80774503E-09-1.62108420E-13 2
-3.12144988E+04-1.65805933E+02-1.36787089E+00 1.37355348E-01-8.24076158E-05 3
2.36421562E-08-2.47435932E-12-1.67660539E+04 4.83521895E+01 4
NC12H25O2 C 12H 25O 2 G300.000 5000.000 1000.000 1
2.84782000E+01 5.37539000E-02-1.68186000E-05 2.51367000E-09-1.47208000E-13 2
-3.74118000E+04-1.09121000E+02 5.31404000E+00 8.93873000E-02 1.45351000E-05 3
-7.49250000E-08 3.35325000E-11-2.98918000E+04 1.69741000E+01 4
NC12H24OOH C 12H 25O 2 G300.000 5000.000 1000.000 1
2.92019000E+01 5.15917000E-02-1.57327000E-05 2.30306000E-09-1.32640000E-13 2
-3.11192000E+04-1.08855000E+02 5.15231000E+00 9.97913000E-02-1.80635000E-05 3
-4.18435000E-08 2.22786000E-11-2.38380000E+04 1.93526000E+01 4
NC12H24 C 12H 24 G300.000 5000.000 1391.000 1
3.74002111E+01 5.26230753E-02-1.78624319E-05 2.75949863E-09-1.59562499E-13 2
-3.89405962E+04-1.64892663E+02-2.96342681E+00 1.43992360E-01-9.61384015E-05 3
3.30174473E-08-4.62398190E-12-2.46345299E+04 5.29158870E+01 4
NC12ket C 12H 24O 3 G300.000 5000.000 1000.000 1
2.36731000E+01 6.16392000E-02-2.09836000E-05 3.33166000E-09-2.03590000E-13 2
-7.18258000E+04-7.77662000E+01 8.80733000E+00 6.50623000E-02 6.95058000E-05 3
-1.26905000E-07 5.10991000E-11-6.65361000E+04 6.84155000E+00 4
NOOC12H24OOH C 12H 25O 4 G300.000 5000.000 1000.000 1
3.50907000E+01 5.10590000E-02-1.54345000E-05 2.24627000E-09-1.28901000E-13 2
-5.12675000E+04-1.37750000E+02 4.81972000E-01 1.45020000E-01-9.99308000E-05 3
2.60422000E-08 1.19358000E-12-4.16875000E+04 4.13429000E+01 4
C5H11CO C 6H 11O 1 G300.000 5000.000 1000.000 1
1.94783812E+01 2.50466029E-02-8.54861346E-06 1.32557944E-09-7.68503296E-14 2
-2.07923937E+04-7.21995578E+01 2.14479069E+00 6.17863563E-02-3.74134690E-05 3
1.13283795E-08-1.36917698E-12-1.43451172E+04 2.23128045E+01 4
IC12H26 C 12H 26 G300.000 3500.000 1800.000 1
3.61414094E+01 6.11045883E-02-2.24641073E-05 3.93182441E-09-2.73349363E-13 2
-5.40359186E+04-1.56831960E+02-2.66627705E+00 1.47343892E-01-9.43301934E-05 3
3.05488933E-08-3.97016449E-12-4.00651514E+04 5.32033350E+01 4
IC12H25 C 12H 25 G300.000 3500.000 1800.000 1
3.17005579E+01 6.61544325E-02-2.66295230E-05 5.21804510E-09-4.10998519E-13 2
-2.88525898E+04-1.31607624E+02-2.06085145E+00 1.41179787E-01-8.91506513E-05 3
2.83740186E-08-3.62710594E-12-1.66984825E+04 5.11161660E+01 4
IC12H25O2 C 12H 25O 2 G300.000 3500.000 1800.000 1
3.82754174E+01 6.23046009E-02-2.29785783E-05 3.99220438E-09-2.72630412E-13 2
-4.86703034E+04-1.60846136E+02 1.39669302E+00 1.44257322E-01-9.12725124E-05 3
2.92862540E-08-3.78569287E-12-3.53939626E+04 3.87492139E+01 4
IC12H24OOH C 12H 25O 2 G300.000 3500.000 1800.000 1
4.28763735E+01 5.51011625E-02-1.90602563E-05 3.05791504E-09-1.89217484E-13 2
-4.53973988E+04-1.84606456E+02 5.27389361E-01 1.49210016E-01-9.74843011E-05 3
3.21038575E-08-4.22337617E-12-3.01517645E+04 4.45950809E+01 4
IC12H24 C 12H 24 G300.000 5000.000 1391.000 1
3.74002111E+01 5.26230753E-02-1.78624319E-05 2.75949863E-09-1.59562499E-13 2
-3.89405962E+04-1.64892663E+02-2.96342681E+00 1.43992360E-01-9.61384015E-05 3
3.30174473E-08-4.62398190E-12-2.46345299E+04 5.29158870E+01 4
IC12ket C 12H 24O 3 G300.000 3500.000 1800.000 1
2.89762540E+01 8.51935060E-02-4.32222040E-05 1.03184896E-08-9.52873635E-13 2
-7.66784457E+04-1.07151303E+02 4.95723377E+00 1.38569107E-01-8.77018710E-05 3
2.67924404E-08-3.24092235E-12-6.80315984E+04 2.28446447E+01 4
IOOC12H24OOH C 12H 25O 4 G300.000 3500.000 1800.000 1
4.68889668E+01 5.84439691E-02-2.09491581E-05 3.49897610E-09-2.27324947E-13 2
-6.45487872E+04-2.03262107E+02 2.75932352E+00 1.56509843E-01-1.02670720E-04 3
3.37662211E-08-4.43110898E-12-4.86621157E+04 3.55767286E+01 4
NC10H22 C 10H 22 G200.000 6000.000 1000.000 1
2.94782956E+01 4.90518943E-02-1.70317179E-05 2.72919300E-09-1.63370772E-13 2
-4.43022624E+04-1.24062121E+02 1.54328173E+01-1.32979232E-02 2.82480581E-04 3
-3.65923298E-07 1.45372117E-10-3.58632831E+04-2.79454341E+01 4
C10H21 C 10H 21 G200.000 6000.000 1000.000 1
2.33759939E+01 5.75362038E-02-2.10968020E-05 3.46309821E-09-2.09434030E-13 2
-1.87658614E+04-8.68825727E+01 1.48510661E+01-3.85330874E-03 2.43710502E-04 3
-3.17547576E-07 1.25908377E-10-1.27861722E+04-2.35344919E+01 4
C10H21O2 C 10H 21O 2 G300.000 5000.000 1389.000 1
3.52386548E+01 4.75793514E-02-1.63731335E-05 2.55214038E-09-1.48474197E-13 2
-4.32282603E+04-1.50404303E+02 1.01431524E+00 1.24157438E-01-8.21448954E-05 3
2.85684148E-08-4.17000221E-12-3.08616979E+04 3.48377002E+01 4
C10H20OOH C 10H 21O 2 G300.000 5000.000 1388.000 1
3.68332677E+01 4.53428413E-02-1.54184908E-05 2.38498991E-09-1.38036821E-13 2
-3.71990810E+04-1.56373019E+02 9.61894530E-01 1.24898703E-01-8.11308378E-05 3
2.63555947E-08-3.38606023E-12-2.43666092E+04 3.77015795E+01 4
C10H20 C 10H 20 G298.150 5000.000 1000.000 1
2.39013980E+01 5.38878964E-02-2.01285612E-05 3.52665091E-09-2.34996859E-13 2
-2.85617759E+04-9.25811186E+01 2.73154321E+00 7.88862849E-02 2.51641756E-05 3
-8.52509662E-08 3.92427894E-11-2.06898473E+04 2.57333929E+01 4
C10ket C 10H 20O 3 G300.000 5000.000 1395.000 1
3.88320323E+01 4.46264561E-02-1.53792779E-05 2.39980861E-09-1.39724887E-13 2
-7.36287238E+04-1.67457676E+02-2.34342212E-01 1.38766838E-01-1.04003274E-04 3
4.11720893E-08-6.75354155E-12-6.02546784E+04 4.14912366E+01 4
OOC10H20OOH C 10H 21O 4 G300.000 5000.000 1388.000 1
4.26897857E+01 4.59447184E-02-1.59146224E-05 2.49205540E-09-1.45456593E-13 2
-5.85330678E+04-1.85554231E+02 2.65145491E+00 1.34665017E-01-8.94738939E-05 3
2.96279281E-08-3.90540332E-12-4.41599446E+04 3.11630265E+01 4
IC8H18 C 8H 18 G300.000 3500.000 1390.000 1
2.06155885E+01 4.43694094E-02-1.35968858E-05 1.75327621E-09-6.83090867E-14 2
-3.76580614E+04-8.42148794E+01-5.96912082E+00 1.20872170E-01-9.61538218E-05 3
4.13489290E-08-7.18982937E-12-3.02675122E+04 5.27954202E+01 4
C8H17 C 8H 17 G300.000 3500.000 1530.000 1
2.65104230E+01 3.01796816E-02-5.82184988E-06 1.42085775E-11 7.60110768E-14 2
-1.80373025E+04-1.14981197E+02-3.32961207E+00 1.08192845E-01-8.23053436E-05 3
3.33403496E-08-5.36943681E-12-8.90625182E+03 4.16697270E+01 4
C8H17O2 C 8H 17O 2 G300.000 3500.000 1600.000 1
2.43863221E+01 4.79091863E-02-1.96116165E-05 3.85759153E-09-3.01446048E-13 2
-3.51809040E+04-9.31491997E+01-7.10506923E-01 1.10651259E-01-7.84323095E-05 3
2.83662136E-08-4.13091825E-12-2.71499187E+04 3.97240936E+01 4
C8H16OOH C 8H 17O 2 G300.000 3500.000 1560.000 1
2.59202581E+01 4.65574276E-02-1.91478836E-05 3.78861311E-09-2.97862013E-13 2
-2.91331926E+04-1.00455337E+02-9.92411233E-01 1.15564272E-01-8.55006187E-05 3
3.21444828E-08-4.84207190E-12-2.07364398E+04 4.13504180E+01 4
C8H16 C 8H 16 G300.000 3500.000 1400.000 1
1.88616063E+01 4.14292819E-02-1.28170543E-05 1.66806735E-09-6.58961701E-14 2
-2.24684067E+04-7.38514297E+01-5.35586582E+00 1.10622059E-01-8.69521730E-05 3
3.69705048E-08-6.36990286E-12-1.56875145E+04 5.11323812E+01 4
C8ket C 8H 16O 3 G300.000 3500.000 1770.000 1
3.33140926E+01 3.48304479E-02-1.19632189E-05 1.85711682E-09-1.07309433E-13 2
-6.88276671E+04-1.40834098E+02 5.55148980E-01 1.08861959E-01-7.47017874E-05 3
2.54874628E-08-3.44492892E-12-5.72310011E+04 3.59135548E+01 4
OOC8H16OOH C 8H 17O 4 G300.000 3500.000 1710.000 1
3.48314225E+01 3.98146097E-02-1.43978345E-05 2.42273588E-09-1.57988116E-13 2
-5.01227380E+04-1.45334518E+02 1.76391327E+00 1.17165508E-01-8.22495001E-05 3
2.88756269E-08-4.02536985E-12-3.88136498E+04 3.19375985E+01 4
C10H7CH3 C 11H 10 G200.000 3500.000 1700.000 1
3.19556671E+01 1.89589747E-02-2.92887930E-06-5.41537998E-10 1.30075116E-13 2
-1.51641167E+03-1.52538802E+02-7.17710534E+00 1.11036086E-01-8.41733896E-05 3
3.13190543E-08-4.55530610E-12 1.17887310E+04 5.70191587E+01 4
C10H7 C 10H 7 G200.000 3500.000 1490.000 1
2.12397127E+01 2.27484190E-02-6.96640086E-06 8.04033892E-10-1.68765826E-14 2
3.76445830E+04-9.11799918E+01-6.45168838E+00 9.70877508E-02-8.18046543E-05 3
3.42887110E-08-5.63511100E-12 4.58966205E+04 5.34576808E+01 4
C5H4 C 5H 4 G200.000 3500.000 1310.000 1
6.52292971E+00 1.75112092E-02-7.24525150E-06 1.36813992E-09-9.77801509E-14 2
6.01459585E+04-1.09295493E+01-1.67820643E+00 4.25528463E-02-3.59188817E-05 3
1.59603181E-08-2.88254699E-12 6.22946562E+04 3.08507212E+01 4
C4H4 C 4H 4 G300.000 3500.000 1290.000 1
7.65777119E+00 1.26498258E-02-4.62248950E-06 7.81217082E-10-5.07629107E-14 2
3.13366016E+04-1.49692661E+01 7.13119716E-01 3.41836288E-02-2.96617954E-05 3
1.37214268E-08-2.55855550E-12 3.31283217E+04 2.03030643E+01 4
C4H3 C 4H 3 G300.000 3500.000 1590.000 1
1.30208969E+01 1.53590364E-03 1.80568200E-06-9.30237204E-10 1.18077198E-13 2
6.01811751E+04-4.25791500E+01 2.34662666E+00 2.83894138E-02-2.35278181E-05 3
9.69177543E-09-1.55205057E-12 6.35755930E+04 1.38680560E+01 4
C4H2 C 4H 2 G300.000 3500.000 720.000 1
7.13414735E+00 1.00526308E-02-4.84819206E-06 1.14884604E-09-1.07722834E-13 2
5.27577824E+04-1.36443516E+01-4.34754087E-01 5.21020832E-02-9.24512179E-05 3
8.22627589E-08-2.82722759E-11 5.38477042E+04 2.03848077E+01 4
TMBENZ C 9H 12 G300.000 5000.000 1392.000 1
2.24636256E+01 3.09373045E-02-1.05672004E-05 1.63939446E-09-9.50754175E-14 2
-1.31832285E+04-9.64859907E+01-5.09445230E-01 7.71633123E-02-4.22120427E-05 3
9.40469135E-09-3.61797692E-13-4.54881569E+03 2.93852054E+01 4
O-XYLCH2 C 9H 11 G300.000 5000.000 1392.000 1
2.35491327E+01 2.80219819E-02-9.68147785E-06 1.51340969E-09-8.82294056E-14 2
5.77366071E+03-1.01400385E+02-3.42673437E+00 9.38405759E-02-7.23402993E-05 3
2.91583208E-08-4.82826512E-12 1.48980536E+04 4.25450196E+01 4
O-XYLCH2OO C 9H 11O 2 G300.000 5000.000 1430.000 1
2.78906974E+01 2.92440161E-02-1.01692679E-05 1.59752054E-09-9.34829377E-14 2
-7.77629203E+03-1.20922402E+02 4.91206986E+00 6.13801024E-02-1.07748172E-05 3
-1.30777276E-08 4.97053509E-12 2.10114471E+03 9.70228486E+00 4
O-CH2TOLCH2OOH C 9H 11O 2 G300.000 5000.000 1393.000 1
2.91293520E+01 2.78100555E-02-9.66891856E-06 1.51762538E-09-8.87206373E-14 2
-5.27510810E+03-1.26040128E+02-6.92238808E+00 1.33165281E-01-1.31622125E-04 3
6.60866205E-08-1.29953703E-11 5.36672967E+03 6.04801749E+01 4
O2CH2TOLCH2OOH C 9H 11O 4 G300.000 5000.000 1378.000 1
3.45712614E+01 2.80726306E-02-9.82773156E-06 1.55116152E-09-9.10780879E-14 2
-1.92530673E+04-1.51867160E+02 1.54622237E-01 1.08227622E-01-8.12206140E-05 3
3.05982470E-08-4.66060801E-12-7.30235161E+03 3.30231873E+01 4
TMBKET C 9H 10O 3 G300.000 5000.000 1494.000 1
2.87004158E+01 2.90606087E-02-1.03774930E-05 1.66359641E-09-9.88170310E-14 2
-3.33870626E+04-1.22524227E+02-9.46162756E+00 1.49116055E-01-1.50500744E-04 3
7.28884952E-08-1.33369524E-11-2.36062834E+04 7.07452181E+01 4
DECALIN C 10H 18 G300.000 3500.000 1750.000 1
2.70110296E+01 4.68748171E-02-1.63895490E-05 2.62563687E-09-1.59789734E-13 2
-3.79226289E+04-1.35167747E+02-1.45870783E+01 1.41956207E-01-9.78878828E-05 3
3.36726212E-08-4.59507321E-12-2.33632912E+04 8.87980358E+01 4
RDECALIN C 10H 17 G300.000 3500.000 1800.000 1
2.85620333E+01 4.11366392E-02-1.36024110E-05 2.01592783E-09-1.09376626E-13 2
-1.53025063E+04-1.39641687E+02-1.39601308E+01 1.35630337E-01-9.23471594E-05 3
3.11806495E-08-4.16003241E-12 5.47278060E+00 9.04971362E+01 4
RDECOO C 10H 17O 2 G300.000 3500.000 1800.000 1
1.72379174E+01 3.76978745E-02-1.66331315E-05 3.54555182E-09-3.00284988E-13 2
-1.92027471E+04-7.01676462E+01-6.00367537E+00 8.93458584E-02-5.96731181E-05 3
1.94862876E-08-2.51427606E-12-1.08357738E+04 5.56207021E+01 4
QDECOOH C 10H 17O 2 G300.000 3500.000 1800.000 1
1.72379174E+01 3.76978745E-02-1.66331315E-05 3.54555182E-09-3.00284988E-13 2
-1.92027471E+04-7.01676462E+01-6.00367537E+00 8.93458584E-02-5.96731181E-05 3
1.94862876E-08-2.51427606E-12-1.08357738E+04 5.56207021E+01 4
ZDECA C 10H 17O 4 G300.000 3500.000 1800.000 1
1.72379174E+01 3.76978745E-02-1.66331315E-05 3.54555182E-09-3.00284988E-13 2
-1.92027471E+04-7.01676462E+01-6.00367537E+00 8.93458584E-02-5.96731181E-05 3
1.94862876E-08-2.51427606E-12-1.08357738E+04 5.56207021E+01 4
KHDECA C 10H 16O 3 G300.000 3500.000 1460.000 1
1.16022418E+01 3.57303662E-02-1.34415882E-05 2.50437459E-09-1.89510289E-13 2
-3.63821557E+04-4.98532958E+01-8.02402159E+00 8.95009509E-02-6.86853397E-05 3
2.77298319E-08-4.50893790E-12-3.06512867E+04 5.22593733E+01 4
C10H16 C 10H 16 G300.000 3500.000 1800.000 1
2.89286921E+01 4.33698641E-02-1.66040771E-05 3.00058011E-09-2.14826944E-13 2
-2.62354027E+04-1.44986840E+02-1.64117649E+01 1.44126435E-01-1.00567886E-04 3
3.40982872E-08-4.53395293E-12-9.91283823E+03 1.00405171E+02 4
C2H5 C 2H 5 G200.000 6000.000 1000.000 1
4.32195633E+00 1.23930542E-02-4.39680960E-06 7.03519917E-10-4.18435239E-14 2
1.21759475E+04 1.71103809E-01 4.24185905E+00-3.56905235E-03 4.82667202E-05 3
-5.85401009E-08 2.25804514E-11 1.29690344E+04 4.44703782E+00 4
C2H4 C 2H 4 G200.000 6000.000 1000.000 1
3.99182724E+00 1.04833908E-02-3.71721342E-06 5.94628366E-10-3.53630386E-14 2
4.26865851E+03-2.69081762E-01 3.95920063E+00-7.57051373E-03 5.70989993E-05 3
-6.91588352E-08 2.69884190E-11 5.08977598E+03 4.09730213E+00 4
C2H3 C 2H 3 G200.000 6000.000 1000.000 1
4.15026763E+00 7.54021341E-03-2.62997847E-06 4.15974048E-10-2.45407509E-14 2
3.38566380E+04 1.72812235E+00 3.36377642E+00 2.65765722E-04 2.79620704E-05 3
-3.72986942E-08 1.51590176E-11 3.44749589E+04 7.91510092E+00 4
C2H2 C 2H 2 G200.000 6000.000 1000.000 1
4.65878489E+00 4.88396667E-03-1.60828888E-06 2.46974544E-10-1.38605959E-14 2
2.57594042E+04-3.99838194E+00 8.08679682E-01 2.33615762E-02-3.55172234E-05 3
2.80152958E-08-8.50075165E-12 2.64289808E+04 1.39396761E+01 4
C2H C 2H 1 G200.000 6000.000 1000.000 1
3.66270248E+00 3.82492252E-03-1.36632500E-06 2.13455040E-10-1.23216848E-14 2
6.71683790E+04 3.92205792E+00 2.89867676E+00 1.32988489E-02-2.80733327E-05 3
2.89484755E-08-1.07502351E-11 6.70616050E+04 6.18547632E+00 4
CH2 C 1H 2 G200.000 6000.000 1000.000 1
3.13501686E+00 2.89593926E-03-8.16668090E-07 1.13572697E-10-6.36262835E-15 2
5.05040504E+04 4.06030621E+00 4.19331325E+00-2.33105184E-03 8.15676451E-06 3
-6.62985981E-09 1.93233199E-12 5.03662246E+04-7.46734310E-01 4
CH C 1H 1 G200.000 6000.000 1000.000 1
2.52093690E+00 1.76536390E-03-4.61476600E-07 5.92896750E-11-3.34745010E-15 2
7.09948780E+04 7.40518290E+00 3.48975830E+00 3.24321600E-04-1.68997510E-06 3
3.16284200E-09-1.40618030E-12 7.06607550E+04 2.08428410E+00 4
CH4 C 1H 4 G200.000 6000.000 1000.000 1
1.91178600E+00 9.60267960E-03-3.38387841E-06 5.38797240E-10-3.19306807E-14 2
-1.00992136E+04 8.48241861E+00 5.14825732E+00-1.37002410E-02 4.93749414E-05 3
-4.91952339E-08 1.70097299E-11-1.02453222E+04-4.63322726E+00 4
CH3 C 1H 3 G200.000 6000.000 1000.000 1
2.97812060E+00 5.79785200E-03-1.97558000E-06 3.07297900E-10-1.79174160E-14 2
1.65095130E+04 4.72247990E+00 3.65717970E+00 2.12659790E-03 5.45838830E-06 3
-6.61810030E-09 2.46570740E-12 1.64227160E+04 1.67353540E+00 4
CH3O C 1H 3O 1 G200.000 6000.000 1000.000 1
4.75779238E+00 7.44142474E-03-2.69705176E-06 4.38090504E-10-2.63537098E-14 2
3.90139164E+02-1.96680028E+00 3.71180502E+00-2.80463306E-03 3.76550971E-05 3
-4.73072089E-08 1.86588420E-11 1.30772484E+03 6.57240864E+00 4
CH2O C 1H 2O 1 G200.000 6000.000 1000.000 1
3.16952665E+00 6.19320560E-03-2.25056366E-06 3.65975660E-10-2.20149458E-14 2
-1.44922756E+04 6.04207898E+00 4.79372312E+00-9.90833322E-03 3.73219990E-05 3
-3.79285237E-08 1.31772641E-11-1.43227879E+04 6.02798058E-01 4
HCO C 1H 1O 1 G200.000 6000.000 1000.000 1
3.92001542E+00 2.52279324E-03-6.71004164E-07 1.05615948E-10-7.43798261E-15 2
3.65342928E+03 3.58077056E+00 4.23754610E+00-3.32075257E-03 1.40030264E-05 3
-1.34239995E-08 4.37416208E-12 3.87241185E+03 3.30834869E+00 4
CO C 1O 1 G200.000 6000.000 1000.000 1
3.04848590E+00 1.35172810E-03-4.85794050E-07 7.88536440E-11-4.69807460E-15 2
-1.42661170E+04 6.01709770E+00 3.57953350E+00-6.10353690E-04 1.01681430E-06 3
9.07005860E-10-9.04424490E-13-1.43440860E+04 3.50840930E+00 4
CO2 C 1O 2 G200.000 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
O2 O 2 G200.000 6000.000 1000.000 1
3.66096065E+00 6.56365811E-04-1.41149627E-07 2.05797935E-11-1.29913436E-15 2
-1.21597718E+03 3.41536279E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3
-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 4
N2 N 2 G200.000 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
H2O H 2O 1 G200.000 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
H H 1 G200.000 6000.000 1000.000 1
2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
2.54736600E+04-4.46682850E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3
0.00000000E+00 0.00000000E+00 2.54736600E+04-4.46682850E-01 4
O O 1 G200.000 6000.000 1000.000 1
2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16 2
2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3
-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 4
OH H 1O 1 G200.000 6000.000 1000.000 1
2.83853033E+00 1.10741289E-03-2.94000209E-07 4.20698729E-11-2.42289890E-15 2
3.69780808E+03 5.84494652E+00 3.99198424E+00-2.40106655E-03 4.61664033E-06 3
-3.87916306E-09 1.36319502E-12 3.36889836E+03-1.03998477E-01 4
H2 H 2 G200.000 6000.000 1000.000 1
2.93286575E+00 8.26608026E-04-1.46402364E-07 1.54100414E-11-6.88804800E-16 2
-8.13065581E+02-1.02432865E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3
2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 4
HO2 H 1O 2 G200.000 5000.000 1000.000 1
4.17228741E+00 1.88117627E-03-3.46277286E-07 1.94657549E-11 1.76256905E-16 2
3.10206839E+01 2.95767672E+00 4.30179807E+00-4.74912097E-03 2.11582905E-05 3
-2.42763914E-08 9.29225225E-12 2.64018485E+02 3.71666220E+00 4
H2O2 H 2O 2 G200.000 6000.000 1000.000 1
4.57977305E+00 4.05326003E-03-1.29844730E-06 1.98211400E-10-1.13968792E-14 2
-1.80071775E+04 6.64970694E-01 4.31515149E+00-8.47390622E-04 1.76404323E-05 3
-2.26762944E-08 9.08950158E-12-1.77067437E+04 3.27373319E+00 4
END

REACTIONS CAL/MOLE MOLE
NC12H26 + O2 => HO2 + NC12H25 2000000000000000.0 0.0 50150.0
NC12H26 + OH => H2O + NC12H25 30000000.0 1.85 58.5
H + NC12H26 => H2 + NC12H25 200000000.0 2.0 2500.0
HO2 + NC12H26 => H2O2 + NC12H25 212000000000000.0 0.0 17690.0
NC12H25 + O2 => NC12H25O2 200000000000.0 0.0 1550.0
NC12H25O2 => NC12H24OOH 55100000000000.0 0.0 19000.0
NC12H24OOH + O2 => NOOC12H24OOH 200000000000.0 0.0 0.0
NOOC12H24OOH => NC12ket + OH 89100000000.0 0.0 17000.0
NC12ket => 2 C5H11CO + H2O 1.98e+16 0.0 41000.0
NC12H25 + O2 => HO2 + NC12H24 316000000000.0 0.0 6000.0
NC12H24 + O2 => 4 C2H4 + C2H5 + CH2O + HCO 31600000000000.0 0.0 10000.0
NC12H25 => 5 C2H4 + C2H5 40000000000000.0 0.0 28810.0
IC12H26 + O2 => HO2 + IC12H25 2000000000000000.0 0.0 50150.0
IC12H26 + OH => H2O + IC12H25 30000000.0 1.85 58.5
H + IC12H26 => H2 + IC12H25 200000000.0 2.0 2500.0
HO2 + IC12H26 => H2O2 + IC12H25 212000000000000.0 0.0 17690.0
IC12H25 + O2 => IC12H25O2 200000000000.0 0.0 4000.0
IC12H25O2 => IC12H24OOH 55100000000000.0 0.0 19000.0
IC12H24OOH + O2 => IOOC12H24OOH 200000000000.0 0.0 0.0
IOOC12H24OOH => IC12ket + OH 89100000000.0 0.0 17000.0
IC12ket => 2 C5H11CO + H2O 1.98e+16 0.0 41000.0
IC12H25 + O2 => HO2 + IC12H24 316000000000.0 0.0 6000.0
IC12H24 + O2 => 4 C2H4 + C2H5 + CH2O + HCO 31600000000000.0 0.0 10000.0
IC12H25 => 5 C2H4 + C2H5 40000000000000.0 0.0 28810.0
NC10H22 + O2 => C10H21 + HO2 2000000000000000.0 0.0 50150.0
NC10H22 + OH => C10H21 + H2O 30000000.0 1.85 58.5
H + NC10H22 => C10H21 + H2 200000000.0 2.0 2500.0
HO2 + NC10H22 => C10H21 + H2O2 212000000000000.0 0.0 17690.0
C10H21 + O2 => C10H21O2 200000000000.0 0.0 2800
C10H21O2 => C10H20OOH 55100000000000.0 0.0 19000.0
C10H20OOH + O2 => OOC10H20OOH 200000000000.0 0.0 0.0
OOC10H20OOH => C10ket + OH 89100000000.0 0.0 17000.0
C10ket => C2H5 + C5H11CO + CH + CH2O + OH 1.98e+16 0.0 41000.0
C10H21 + O2 => C10H20 + HO2 316000000000.0 0.0 6000.0
C10H20 + O2 => 4 C2H4 + 2 CH2O 31600000000000.0 0.0 10000.0
C10H21 => 4 C2H4 + C2H5 40000000000000.0 0.0 28810.0
IC8H18 + O2 => C8H17 + HO2 2000000000000000.0 0.0 50150.0
IC8H18 + OH => C8H17 + H2O 30000000.0 1.85 58.5
H + IC8H18 => C8H17 + H2 200000000.0 2.0 2500.0
HO2 + IC8H18 => C8H17 + H2O2 212000000000000.0 0.0 17690.0
C8H17 + O2 => C8H17O2 200000000000.0 0.0 5000.0
C8H17O2 => C8H16OOH 55100000000000.0 0.0 19000.0
C8H16OOH + O2 => OOC8H16OOH 200000000000.0 0.0 0.0
OOC8H16OOH => C8ket + OH 89100000000.0 0.0 17000.0
C8ket => C5H11CO + CH2 + CH2O + OH 1.98e+16 0.0 41000.0
C8H17 + O2 => C8H16 + HO2 316000000000.0 0.0 6000.0
C8H16 + O2 => 3 C2H4 + 2 CH2O 31600000000000.0 0.0 10000.0
C8H17 => 3 C2H4 + C2H5 40000000000000.0 0.0 28810.0
C10H7CH3 => C10H7 + CH3 300000000000.0 1.5 67000.0
C10H7 + O2 => C4H3 + C5H4 + CO2 26000000000000.0 0.0 6120.0
C10H7 + H => 2 C5H4 200000000000000.0 0.0 7000.0
O-XYLCH2 + OH => C2H2 + C2H4 + C4H4 + CH2O 60000000000000.0 0.0 0.0
HO2 + O-XYLCH2 => C2H + C2H4 + C4H4 + CH2O + OH 10000000000000.0 0.0 4800.0
H + TMBENZ => H2 + O-XYLCH2 166000000000000.0 0.0 9480.0
O + TMBENZ => O-XYLCH2 + OH 151000.0 2.57 3150.0
OH + TMBENZ => H2O + O-XYLCH2 354000.0 2.39 -602.0
O2 + TMBENZ => HO2 + O-XYLCH2 87200000.0 2.5 46000.0
HO2 + TMBENZ => H2O2 + O-XYLCH2 42000000000000.0 0.0 18900.0
CH3 + TMBENZ => CH4 + O-XYLCH2 5.12 3.8 7400.0
O-XYLCH2 + O2 <=> O-XYLCH2OO 4.60e+31 -6.36 6510.0
PLOG /0.1 3.28e+46 -11.59 9000.0/
PLOG /1.0 2.82e+45 -10.974 9730.0/
PLOG /10.0 9.56e+38 -8.765 8430.0/
PLOG /100.0 4.60e+31 -6.36 6510.0/
O-XYLCH2OO <=> O-CH2TOLCH2OOH 1000000000.0 0.85 27800.0
O-CH2TOLCH2OOH + O2 => O2CH2TOLCH2OOH 4.60e+31 -6.36 6510.0
PLOG /0.1 3.28e+46 -11.59 9000.0/
PLOG /1.0 2.82e+45 -10.974 9730.0/
PLOG /10.0 9.56e+38 -8.765 8430.0/
PLOG /100.0 4.60e+31 -6.36 6510.0/
O2CH2TOLCH2OOH => O-CH2TOLCH2OOH + O2 5.89e+46 -10.05 37400.0
PLOG /0.1 6.82e+45 -10.7 31200.0/
PLOG /1.0 1.14e+46 -10.48 32400.0/
PLOG /10.0 1.72e+46 -10.2 34700.0/
PLOG /100.0 5.89e+46 -10.05 37400.0/
O2CH2TOLCH2OOH => OH + TMBKET 1000000000.0 0.85 27800.0
TMBKET => C2H2 + C5H4 + CH2O + HCO + OH 3e+16 0.0 43000.0
DECALIN + O2 => HO2 + RDECALIN 2000000000000000.0 0.0 50150.0
DECALIN + OH => H2O + RDECALIN 30000000.0 1.85 58.5
DECALIN + H => H2 + RDECALIN 200000000.0 2.0 2500.0
DECALIN + HO2 => H2O2 + RDECALIN 212000000000000.0 0.0 17690.0
O2 + RDECALIN => RDECOO 200000000000.0 0.0 5300.0
RDECOO => QDECOOH 55100000000000.0 0.0 19000.0
O2 + QDECOOH => ZDECA 200000000000.0 0.0 0.0
ZDECA => KHDECA + OH 89100000000.0 0.0 17000.0
KHDECA => C2H3 + C5H11CO + CH + CO + OH 1.98e+16 0.0 41000.0
O2 + RDECALIN => C10H16 + HO2 316000000000.0 0.0 6000.0
C10H16 + O2 => C2H + 3 C2H4 + CH3O + CO 31600000000000.0 0.0 10000.0
RDECALIN => 2 C2H4 + C4H4 + CH + CH4 40000000000000.0 0.0 28810.0
C5H11CO + O2 => C2H4 + C2H5 + CH + CO + HO2 31600000000000.0 0.0 10000.0
C5H4 + H => C2H + C2H3 + CH 10000000000000.0 0.0 8500.0
C5H4 + O2 => C2H + C2H3 + CO2 30000000000000.0 0.0 30000.0
C5H4 + H => C4H3 + CH2 160000000000000.0 0.0 4800.0
C4H4 + H => C4H3 + H2 30000000000000.0 0.0 8240.0
C4H4 + CH3 => C4H3 + CH4 50000000000000.0 0.0 16800.0
C4H3 + H => C4H4 200000000000000.0 0.0 820.0
C4H3 + H => C4H2 + H2 60000000000000.0 0.0 0.0
C4H3 + OH => C4H2 + H2O 2000000000000.0 0.0 0.0
C4H2 + M => 2 C2H + M 500000000000000.0 0.0 30000.0
C4H2 + OH => C2H2 + CH + CO 3000000000000.0 0.0 5000.0
C2H5 + M => C2H4 + H + M 1000000000000000.0 0.0 30000.0
C2H4 + H + M => C2H5 + M 4170000000000.0 0.0 10030.0
C2H5 + H => 2 CH3 120000000000000.0 0.0 0.0
C2H4 => C2H3 + H 5000000000000.0 0.0 41500.0
C2H4 + H => C2H5 25000000000000.0 1.0 5000.0
C2H4 + O => CH3 + HCO 3310000000000.0 0.0 1130.0
CH3 + HCO => C2H4 + O 158000000000.0 0.0 25000.0
C2H4 + OH => C2H3 + H2O 4790000000000.0 0.0 1230.0
C2H3 + H2O => C2H4 + OH 1200000000000.0 0.0 14000.0
C2H4 + CH3 => C2H3 + CH4 10000000000000.0 0.0 13000.0
C2H3 + CH4 => C2H4 + CH3 30200000000000.0 0.0 12580.0
C2H2 + H + M => C2H3 + M 123000000000.0 1.0 10360.0
C2H3 + H => C2H2 + H2 20000000000000.0 0.0 2500.0
C2H3 => C2H + H2 5000000000000.0 0.0 41500.0
C2H + H + M => C2H2 + M 1100000000.0 1.0 770.0
C2H2 + H => C2H + H2 200000000000000.0 0.0 19000.0
C2H2 + OH => C2H + H2O 8000000000000.0 0.0 5000.0
C2H + H2O => C2H2 + OH 5370000000000.0 0.0 16360.0
C2H2 + O => C2H + OH 3240000000000000.0 0.6 12000.0
C2H + OH => C2H2 + O 295000000000000.0 0.6 910.0
C2H + O2 => CO + HCO 10000000000000.0 0.0 6500.0
CO + HCO => C2H + O2 8510000000000.0 0.0 138400.0
H + O2 => O + OH 210000000000000.0 0.0 16800.0
O + OH => H + O2 14000000000000.0 0.0 690.0
H2 + O => H + OH 18000000000.0 1.0 8826.0
H + OH => H2 + O 8000000000.0 1.0 6760.0
H2 + OH => H + H2O 1170000000.0 1.3 3626.0
H + H2O => H2 + OH 7000000000.0 1.3 18588.0
2 OH => H2O + O 600000000.0 1.3 0.0
H2O + O => 2 OH 5900000000.0 1.3 17029.0
H + O2 + M => HO2 + M 6.00e+17 -0.8 0.0
CH4/6.500E+00/ CO/7.500E-01/ CO2/1.500E+00/ H2/1.000E+00/ H2O/6.500E+00/ N2/4.000E-01/ O2/4.000E-01/
H + HO2 => 2 OH 150000000000000.0 0.0 1004.0
H + HO2 => H2 + O2 25000000000000.0 0.0 700
HO2 + OH => H2O + O2 20000000000000.0 0.0 1000.0
CO + OH => CO2 + H 15100000.0 1.3 -758.0
CO2 + H => CO + OH 1570000000.0 1.3 20900.0
CH4 (+M) => CH3 + H (+M) 630000000000000.0 0.0 104000.0
LOW /1.00e+17 0.0 86000.0/
C10H7CH3/3.000E+00/ CH4/6.500E+00/ CO/7.500E-01/ CO2/1.500E+00/ DECALIN/3.000E+00/ H2/1.000E+00/ H2O/6.500E+00/ IC12H26/3.000E+00/ IC8H18/3.000E+00/ N2/4.000E-01/ NC10H22/3.000E+00/ NC12H26/3.000E+00/ O2/4.000E-01/ TMBENZ/3.000E+00/
CH3 + H (+M) => CH4 (+M) 5200000000000.0 0.0 -1310.0
LOW /825000000000000.0 0.0 -19310.0/
C10H7CH3/3.000E+00/ CH4/6.500E+00/ CO/7.500E-01/ CO2/1.500E+00/ DECALIN/3.000E+00/ H2/1.000E+00/ H2O/6.500E+00/ IC12H26/3.000E+00/ IC8H18/3.000E+00/ N2/4.000E-01/ NC10H22/3.000E+00/ NC12H26/3.000E+00/ O2/4.000E-01/ TMBENZ/3.000E+00/
CH4 + H => CH3 + H2 22000.0 3.0 8750.0
CH3 + H2 => CH4 + H 957.0 3.0 8750.0
CH4 + OH => CH3 + H2O 1600000.0 2.1 2460.0
CH3 + H2O => CH4 + OH 302000.0 2.1 17422.0
CH3 + O => CH2O + H 68000000000000.0 0.0 0.0
CH2O + H => H2 + HCO 50000000000000.0 0.0 3991.0
CH2O + OH => H2O + HCO 120000000000000.0 0.0 1100.0
H + HCO => CO + H2 40000000000000.0 0.0 0.0
HCO + M => CO + H + M 160000000000000.0 0.0 14700.0
CH3 + O2 => CH3O + O 50000000000000.0 0.0 25652.0
CH3O + H => CH2O + H2 20000000000000.0 0.0 0.0
CH3O + M => CH2O + H + M 24000000000000.0 0.0 28812.0
2 HO2 => H2O2 + O2 80000000000000.0 0.0 0.0
H2O2 + M => 2 OH + M 1.30e+17 0.0 45500.0
2 OH + M => H2O2 + M 986000000000000.0 0.0 -5070.0
H2O2 + OH => H2O + HO2 10000000000000.0 0.0 1800.0
H2O + HO2 => H2O2 + OH 28600000000000.0 0.0 32790.0
H + OH + M => H2O + M 2.20e+22 -2.0 0.0
2 H + M => H2 + M 1.80e+18 -1.0 0.0
CH3 + OH => CH2 + H2O 7600000.0 2.0 5000.0
CH2 + O => CO + H2 30000000000000.0 0.0 0.0
CH2 + OH => CH + H2O 40000000.0 2.0 3000.0
CH + O => CO + H 57000000000000.0 0.0 0.0
CH + OH => H + HCO 30000000000000.0 0.0 0.0
CH + O2 => HCO + O 33000000000000.0 0.0 0.0
CH + CO2 => CO + HCO 84000000000000.0 0.0 200.0
CO2 + M => CO + O + M 10000000000.0 0.0 45500.0
END

 

TRANSPORT
NC12H26 2 580.000 7.600 0.000 0.000 1.000
NC12H25 2 789.980 7.047 0.000 0.000 1.000
NC12H25O2 2 805.031 7.102 0.000 0.000 1.000
NC12H24OOH 2 805.031 7.102 0.000 0.000 1.000
NC12H24 2 775.294 7.090 0.000 0.000 1.000
NC12ket 2 839.348 7.273 0.000 0.000 1.000
NOOC12H24OOH 2 877.052 7.457 0.000 0.000 1.000
C5H11CO 2 498.600 6.009 2.000 0.000 1.000
IC12H26 2 580.000 7.600 0.000 0.000 1.000
IC12H25 2 580.000 7.600 0.000 0.000 1.000
IC12H25O2 2 680.000 7.600 0.000 0.000 1.000
IC12H24OOH 2 680.000 7.600 0.000 0.000 1.000
IC12H24 2 775.294 7.090 0.000 0.000 1.000
IC12ket 2 680.000 7.600 0.000 0.000 1.000
IOOC12H24OOH 2 680.000 7.600 0.000 0.000 1.000
NC10H22 2 540.980 7.150 0.000 0.000 1.000
C10H21 2 540.980 7.150 0.000 0.000 1.000
C10H21O2 2 704.920 6.690 0.000 19.100 1.000
C10H20OOH 2 704.920 6.690 0.000 19.100 1.000
C10H20 2 540.980 7.150 0.000 0.000 1.000
C10ket 2 704.920 6.690 0.000 19.100 1.000
OOC10H20OOH 2 704.920 6.690 0.000 19.100 1.000
IC8H18 2 494.000 6.170 0.000 0.000 1.000
C8H17 2 494.000 6.170 0.000 0.000 1.000
C8H17O2 2 594.000 6.170 0.000 0.000 1.000
C8H16OOH 2 594.000 6.170 0.000 0.000 1.000
C8H16 2 494.000 6.170 0.000 0.000 1.000
C8ket 2 594.000 6.170 0.000 0.000 1.000
OOC8H16OOH 2 594.000 6.170 0.000 0.000 1.000
C10H7CH3 2 660.000 6.350 0.000 0.000 1.000
C10H7 2 630.400 6.180 0.000 16.500 1.000
C5H4 1 357.000 5.180 0.000 0.000 1.000
C4H4 2 357.000 5.180 0.000 0.000 1.000
C4H3 1 357.000 5.180 0.000 0.000 1.000
C4H2 1 357.000 4.720 0.000 0.000 1.000
TMBENZ 2 523.600 5.960 0.000 0.000 1.000
O-XYLCH2 2 523.600 5.960 0.000 0.000 1.000
O-XYLCH2OO 2 523.600 5.960 0.000 0.000 1.000
O-CH2TOLCH2OOH 2 523.600 5.960 0.000 0.000 1.000
O2CH2TOLCH2OOH 2 523.600 5.960 0.000 0.000 1.000
TMBKET 2 523.600 5.960 0.000 0.000 1.000
DECALIN 2 630.400 6.180 0.000 16.500 1.000
RDECALIN 2 630.400 6.180 0.000 16.500 1.000
RDECOO 2 630.400 6.180 0.000 16.500 1.000
QDECOOH 2 630.400 6.180 0.000 16.500 1.000
ZDECA 2 630.400 6.180 0.000 16.500 1.000
KHDECA 2 630.400 6.180 0.000 16.500 1.000
C10H16 2 630.400 6.180 0.000 16.500 1.000
C2H5 2 252.300 4.302 0.000 0.000 1.500
C2H4 2 280.800 3.971 0.000 0.000 1.500
C2H3 2 209.000 4.100 0.000 0.000 1.000
C2H2 1 209.000 4.100 0.000 0.000 2.500
C2H 1 209.000 4.100 0.000 0.000 2.500
CH2 1 144.000 3.800 0.000 0.000 0.000
CH 1 80.000 2.750 0.000 0.000 0.000
CH4 2 141.400 3.746 0.000 2.600 13.000
CH3 1 144.000 3.800 0.000 0.000 0.000
CH3O 2 417.000 3.690 1.700 0.000 2.000
CH2O 2 498.000 3.590 0.000 0.000 2.000
HCO 2 498.000 3.590 0.000 0.000 0.000
CO 1 98.100 3.650 0.000 1.950 1.800
CO2 1 244.000 3.763 0.000 2.650 2.100
O2 1 107.400 3.458 0.000 1.600 3.800
N2 1 97.530 3.621 0.000 1.760 4.000
H2O 2 572.400 2.605 1.844 0.000 4.000
H 0 145.000 2.050 0.000 0.000 0.000
O 0 80.000 2.750 0.000 0.000 0.000
OH 1 80.000 2.750 0.000 0.000 0.000
H2 1 38.000 2.920 0.000 0.790 280.000
HO2 2 107.400 3.458 0.000 0.000 1.000
H2O2 2 107.400 3.458 0.000 0.000 3.800
END