!******************************************************************************* !JANAF POLYNOMIALS THERMO 300.000 1000.000 3000.000 H H 1 G 0300.00 3000.00 1 !1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.25471627E+05-0.46011763E+00 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.25471627E+05-0.46011762E+00 4 OH O 1H 1 G 0300.00 3000.00 1 !2 0.28827305E+01 0.10139743E-02-0.22768771E-06 0.21746837E-10-0.51263053E-15 2 0.38868879E+04 0.55957122E+01 0.36372659E+01 0.18509105E-03-0.16761646E-05 3 0.23872027E-08-0.84314418E-12 0.36067817E+04 0.13588605E+01 4 O O 1 G 0300.00 3000.00 1 !3 0.25420597E+01-0.27550619E-04-0.31028033E-08 0.45510674E-11-0.43680515E-15 2 0.29230803E+05 0.49203081E+01 0.29464288E+01-0.16381665E-02 0.24210317E-05 3 -0.16028432E-08 0.38906963E-12 0.29147644E+05 0.29639949E+01 4 HO2 O 2H 1 G 0300.00 3000.00 1 !4 0.41722659E+01 0.18812098E-02-0.34629297E-06 0.19468516E-10 0.17609153E-15 2 0.61818851E+02 0.29577974E+01 0.43017880E+01-0.47490201E-02 0.21157953E-04 3 -0.24275961E-07 0.92920670E-11 0.29480876E+03 0.37167010E+01 4 H2 H 2 G 0300.00 3000.00 1 !5 0.29914234E+01 0.70006441E-03-0.56338287E-07-0.92315782E-11 0.15827518E-14 2 -0.83503399E+03-0.13551102E+01 0.32981243E+01 0.82494417E-03-0.81430153E-06 3 -0.94754343E-10 0.41348722E-12-0.10125209E+04-0.32940941E+01 4 H2O H 2O 1 G 0300.00 3000.00 1 !6 0.26721456E+01 0.30562929E-02-0.87302601E-06 0.12009964E-09-0.63916179E-14 2 -0.29899209E+05 0.68628168E+01 0.33868425E+01 0.34749825E-02-0.63546963E-05 3 0.69685813E-08-0.25065884E-11-0.30208113E+05 0.25902328E+01 4 H2O2 H 2O 2 G 0300.00 3000.00 1 !7 0.45731667E+01 0.43361363E-02-0.14746888E-05 0.23489037E-09-0.14316536E-13 2 -0.18006961E+05 0.50113696E+00 0.33887536E+01 0.65692260E-02-0.14850126E-06 3 -0.46258055E-08 0.24715147E-11-0.17663147E+05 0.67853631E+01 4 O2 O 2 G 0300.00 3000.00 1 !8 0.36975782E+01 0.61351969E-03-0.12588419E-06 0.17752815E-10-0.11364353E-14 2 -0.12339302E+04 0.31891656E+01 0.32129364E+01 0.11274863E-02-0.57561505E-06 3 0.13138772E-08-0.87685539E-12-0.10052490E+04 0.60347376E+01 4 CO C 1O 1 G 0300.00 3000.00 1 !9 0.30250781E+01 0.14426885E-02-0.56308278E-06 0.10185813E-09-0.69109515E-14 2 -0.14268349E+05 0.61082177E+01 0.32624516E+01 0.15119408E-02-0.38817552E-05 3 0.55819442E-08-0.24749512E-11-0.14310539E+05 0.48488969E+01 4 CO2 C 1O 2 G 0300.00 3000.00 1 !10 0.44536228E+01 0.31401687E-02-0.12784105E-05 0.23939967E-09-0.16690332E-13 2 -0.48966961E+05-0.95539588E+00 0.22757246E+01 0.99220723E-02-0.10409113E-04 3 0.68666868E-08-0.21172801E-11-0.48373141E+05 0.10188488E+02 4 CH C 1H 1 G 0300.00 3000.00 1 !12 0.25209062E+01 0.17653726E-02-0.46147581E-06 0.59288567E-10-0.33473209E-14 2 0.71134082E+05 0.74053223E+01 0.34898166E+01 0.32383554E-03-0.16889906E-05 3 0.31621733E-08-0.14060907E-11 0.70799939E+05 0.20840111E+01 4 HCO C 1H 1O 1 G 0300.00 3000.00 1 !13 0.35572712E+01 0.33455728E-02-0.13350060E-05 0.24705726E-09-0.17138509E-13 2 0.39163245E+04 0.55522995E+01 0.28983297E+01 0.61991466E-02-0.96230842E-05 3 0.10898249E-07-0.45748852E-11 0.41599219E+04 0.89836139E+01 4 CH2(S) C 1H 2 G 0300.00 3000.00 1 !14 0.35528886E+01 0.20667882E-02-0.19141160E-06-0.11046734E-09 0.20213496E-13 2 0.49849754E+05 0.16865700E+01 0.39712651E+01-0.16990887E-03 0.10253688E-05 3 0.24925508E-08-0.19812663E-11 0.49893676E+05 0.57532072E-01 4 CH2(T) C 1H 2 G 0300.00 3000.00 1 !15 0.36364078E+01 0.19330566E-02-0.16870163E-06-0.10098994E-09 0.18082558E-13 2 0.45341339E+05 0.21565606E+01 0.37622371E+01 0.11598191E-02 0.24895854E-06 3 0.88008356E-09-0.73324354E-12 0.45367906E+05 0.17125776E+01 4 CH2O C 1H 2O 1 G 0300.00 3000.00 1 !16 0.31694807E+01 0.61932742E-02-0.22505981E-05 0.36598245E-09-0.22015410E-13 2 -0.14478425E+05 0.60423533E+01 0.47937036E+01-0.99081518E-02 0.37321459E-04 3 -0.37927902E-07 0.13177015E-10-0.14308955E+05 0.60288702E+00 4 CH3 C 1H 3 G 0300.00 3000.00 1 !17 0.28440516E+01 0.61379741E-02-0.22303452E-05 0.37851608E-09-0.24521590E-13 2 0.16437808E+05 0.54526973E+01 0.24304428E+01 0.11124099E-01-0.16802203E-04 3 0.16218287E-07-0.58649526E-11 0.16423781E+05 0.67897939E+01 4 CH3OH C 1H 4O 1 G 0300.00 3000.00 1 !18 0.36012593E+01 0.10243223E-01-0.35999217E-05 0.57251951E-09-0.33912719E-13 2 -0.25997155E+05 0.47056025E+01 0.57153948E+01-0.15230920E-01 0.65244182E-04 3 -0.71080873E-07 0.26135383E-10-0.25642765E+05-0.15040970E+01 4 CH3O C 1H 3O 1 G 0300.00 3000.00 1 !19 0.37707996E+01 0.78714974E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2 0.12783252E+03 0.29295749E+01 0.21062040E+01 0.72165951E-02 0.53384719E-05 3 -0.73776363E-08 0.20756105E-11 0.97860107E+03 0.13152177E+02 4 CH2OH C 1H 3O 1 G 0300.00 3000.00 1 !20 0.46776733E+01 0.65608772E-02-0.22636864E-05 0.35530469E-09-0.20842959E-13 2 -0.28928048E+04 0.48041879E+00 0.38644027E+01 0.55913161E-02 0.59514635E-05 3 -0.10477176E-07 0.43793199E-11-0.25050493E+04 0.54710652E+01 4 CH4 C 1H 4 G 0300.00 3000.00 1 !21 0.16834788E+01 0.10237235E-01-0.38751286E-05 0.67855849E-09-0.45034231E-13 2 -0.10080787E+05 0.96233949E+01 0.77874148E+00 0.17476683E-01-0.27834090E-04 3 0.30497080E-07-0.12239307E-10-0.98252285E+04 0.13722195E+02 4 C2O C 2O 1 G 0300.00 3000.00 1 !22 0.51512722E+01 0.23726722E-02-0.76135971E-06 0.11706415E-09-0.70257804E-14 2 0.33241888E+05-0.22183135E+01 0.28648610E+01 0.11990216E-01-0.18362448E-04 3 0.15769739E-07-0.53897452E-11 0.33749932E+05 0.88867772E+01 4 C2H C 2H 1 G 0300.00 3000.00 1 !23 0.36646060E+01 0.38218694E-02-0.13650743E-05 0.21324828E-09-0.12309430E-13 2 0.67297055E+05 0.39134973E+01 0.29018020E+01 0.13285982E-01-0.28050886E-04 3 0.28930184E-07-0.10744742E-10 0.67190326E+05 0.61723506E+01 4 HCCO C 2H 1O 1 G 0300.00 3000.00 1 !24 0.42603635E+01 0.48274243E-02-0.16661974E-05 0.26140685E-09-0.15325901E-13 2 0.17880484E+05 0.39788463E+01 0.27659287E+01 0.14174259E-01-0.23260615E-04 3 0.21573491E-07-0.75853929E-11 0.18085633E+05 0.10540898E+02 4 C2H2 C 2H 2 G 0300.00 3000.00 1 !25 0.44367704E+01 0.53760391E-02-0.19128167E-05 0.32863789E-09-0.21567095E-13 2 0.25667664E+05-0.28003383E+01 0.20135622E+01 0.15190446E-01-0.16163189E-04 3 0.90789918E-08-0.19127460E-11 0.26124443E+05 0.88053779E+01 4 CH2CO C 2H 2O 1 G 0300.00 3000.00 1 !26 0.60388174E+01 0.58048405E-02-0.19209538E-05 0.27944846E-09-0.14588675E-13 2 -0.85834023E+04-0.76575813E+01 0.29749708E+01 0.12118712E-01-0.23450457E-05 3 -0.64666850E-08 0.39056492E-11-0.76326367E+04 0.86735525E+01 4 C2H3 C 2H 3 G 0300.00 3000.00 1 !27 0.59334679E+01 0.40177456E-02-0.39667395E-06-0.14412665E-09 0.23786435E-13 2 0.33854346E+05-0.85303125E+01 0.24592764E+01 0.73714764E-02 0.21098729E-05 3 -0.13216421E-08-0.11847838E-11 0.35352250E+05 0.11556202E+02 4 C2H5 C 2H 5 G 0300.00 3000.00 1 !28 0.42878814E+01 0.12433893E-01-0.44139119E-05 0.70654102E-09-0.42035136E-13 2 0.12056455E+05 0.84602583E+00 0.43058580E+01-0.41833638E-02 0.49707270E-04 3 -0.59905874E-07 0.23048478E-10 0.12841714E+05 0.47100236E+01 4 C2H6 C 2H 6 G 0300.00 3000.00 1 !29 0.48259382E+01 0.13840429E-01-0.45572588E-05 0.67249672E-09-0.35981614E-13 2 -0.12717793E+05-0.52395067E+01 0.14625387E+01 0.15494667E-01 0.57805073E-05 3 -0.12578319E-07 0.45862671E-11-0.11239176E+05 0.14432295E+02 4 C2H4 C 2H 4 G 0300.00 3000.00 1 !30 0.35284188E+01 0.11485184E-01-0.44183853E-05 0.78446005E-09-0.52668485E-13 2 0.44282886E+04 0.22303891E+01-0.86148798E+00 0.27961628E-01-0.33886772E-04 3 0.27851522E-07-0.97378789E-11 0.55730459E+04 0.24211487E+02 4 C3H C 3H 1 G 0300.00 3000.00 1 !31 0.34671283E+01 0.62969122E-02-0.22708676E-05 0.36749291E-09-0.22034692E-13 2 0.80801495E+05 0.53527629E+01 0.24726647E+01 0.85316627E-02-0.63505996E-05 3 0.56681332E-08-0.24832298E-11 0.81205573E+05 0.10875808E+02 4 c-C3H2 C 3H 2 G 0300.00 3000.00 1 !32 0.62476406E+01 0.56755154E-02-0.19541329E-05 0.31686787E-09-0.19722328E-13 2 0.54930960E+05-0.96791278E+01 0.36613541E+01 0.89364130E-02 0.35404269E-05 3 -0.11072967E-07 0.52009416E-11 0.55858605E+05 0.46695742E+01 4 C3H2O C 3H 2O 1 G 0300.00 3000.00 1 !33 0.73427625E+01 0.12067202E-01-0.55529699E-05 0.11293460E-08-0.83762953E-13 2 0.10395715E+05-0.10092804E+02 0.16316510E+01 0.27150964E-01-0.19877387E-04 3 0.69551387E-08-0.95779851E-12 0.12058104E+05 0.19713200E+02 4 C3H3 C 3H 3 G 0300.00 3000.00 1 !34 0.66416953E+01 0.80859651E-02-0.28479238E-05 0.45353447E-09-0.26888535E-13 2 0.38979395E+05-0.10400071E+02 0.18283782E+01 0.23784171E-01-0.21923663E-04 3 0.10007755E-07-0.13902579E-11 0.40186308E+05 0.13844912E+02 4 a-C3H4 C 3H 4 G 0300.00 3000.00 1 !35 0.63168722E+01 0.11133728E-01-0.39629378E-05 0.63564238E-09-0.37875540E-13 2 0.20117495E+05-0.10995766E+02 0.26130445E+01 0.12122575E-01 0.18539880E-04 3 -0.34525149E-07 0.15335079E-10 0.21541567E+05 0.10226139E+02 4 p-C3H4 C 3H 4 G 0300.00 3000.00 1 !36 0.60252400E+01 0.11336542E-01-0.40223391E-05 0.64376063E-09-0.38299635E-13 2 0.19620942E+05-0.86043785E+01 0.26803869E+01 0.15799651E-01 0.25070596E-05 3 -0.13657623E-07 0.66154285E-11 0.20802374E+05 0.98769351E+01 4 c-C3H4 C 3H 4 G 0300.00 3000.00 1 !37 0.66999931E+01 0.10357372E-01-0.34551167E-05 0.50652949E-09-0.26682276E-13 2 0.30199051E+05-0.13378770E+02-0.24621047E-01 0.23197215E-01-0.18474357E-05 3 -0.15927593E-07 0.86846155E-11 0.32334137E+05 0.22729762E+02 4 a-C3H5 C 3H 5 G 0300.00 3000.00 1 !38 0.96515390E+01 0.80755960E-02-0.79654240E-06-0.46506960E-09 0.86032810E-13 2 0.15300955E+05-0.28378480E+02 0.22764860E+01 0.19855640E-01 0.11238421E-05 3 -0.10145757E-07 0.34413420E-11 0.17894960E+05 0.12214139E+02 4 (1)-C3H5 C 3H 5 G 0300.00 3000.00 1 !39 0.92097640E+01 0.78714120E-02-0.77245220E-06-0.44973570E-09 0.83772720E-13 2 0.28539670E+05-0.23834440E+02 0.31618630E+01 0.15180997E-01 0.27226590E-05 3 -0.51771120E-08 0.54352860E-13 0.30955470E+05 0.10468980E+02 4 (2)-C3H5 C 3H 5 G 0300.00 3000.00 1 !40 0.91010180E+01 0.79641670E-02-0.78849450E-06-0.45620360E-09 0.85292120E-13 2 0.26706800E+05-0.23016340E+02 0.33858110E+01 0.14045337E-01 0.32041270E-05 3 -0.38241200E-08-0.90537420E-12 0.29090660E+05 0.97557340E+01 4 C3H6 C 3H 6 G 0300.00 3000.00 1 !41 0.67213974E+01 0.14931757E-01-0.49652353E-05 0.72510753E-09-0.38001476E-13 2 -0.92453149E+03-0.12155617E+02 0.14575157E+01 0.21142263E-01 0.40468012E-05 3 -0.16319003E-07 0.70475153E-11 0.10740208E+04 0.17399460E+02 4 n-C3H7 C 3H 7 G 0300.00 3000.00 1 !42 0.77026987E+01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2 0.82984336E+04-0.15480180E+02 0.10515518E+01 0.25991980E-01 0.23800540E-05 3 -0.19609569E-07 0.93732470E-11 0.10631863E+05 0.21122559E+02 4 i-C3H7 C 3H 7 G 0300.00 3000.00 1 !43 0.65294638E+01 0.17193288E-01-0.57153220E-05 0.83408080E-09-0.43663532E-13 2 0.77179102E+04-0.91399021E+01 0.14461584E+01 0.20988975E-01 0.77172672E-05 3 -0.18481391E-07 0.71269024E-11 0.98206094E+04 0.20108200E+02 4 C3H8 C 3H 8 G 0300.00 3000.00 1 !44 0.75252171E+01 0.18890340E-01-0.62839244E-05 0.91793728E-09-0.48124099E-13 2 -0.16464547E+05-0.17843903E+02 0.89692080E+00 0.26689861E-01 0.54314251E-05 3 -0.21260007E-07 0.92433301E-11-0.13954918E+05 0.19355331E+02 4 C C 1 G 0300.00 3000.00 1 !45 0.26055830E+01-0.19593434E-03 0.10673722E-06-0.16423940E-10 0.81870580E-15 2 0.85411742E+05 0.41923868E+01 0.25542395E+01-0.32153772E-03 0.73379223E-06 3 -0.73223487E-09 0.26652144E-12 0.85442681E+05 0.45313085E+01 4 C4H C 4H 1 G 0300.00 3000.00 1 !46 0.62428318E+01 0.61936825E-02-0.20859315E-05 0.30822034E-09-0.16364825E-13 2 0.94300187E+05-0.72108059E+01 0.50232468E+01 0.70923753E-02-0.60737619E-08 3 -0.22757522E-08 0.80869941E-12 0.94858125E+05-0.69425940E-01 4 C4H2 C 4H 2 G 0300.00 3000.00 1 !47 0.86670035E+01 0.67166371E-02-0.23544995E-05 0.37383079E-09-0.22118914E-13 2 0.52878439E+05-0.21114205E+02-0.39518508E+00 0.51955813E-01-0.91786616E-04 3 0.80523929E-07-0.26917088E-10 0.54473214E+05 0.20969101E+02 4 n-C4H3 C 4H 3 G 0300.00 3000.00 1 !48 0.10752738E+02 0.53811530E-02-0.55496370E-06-0.30522660E-09 0.57617400E-13 2 0.58814190E+05-0.31630250E+02 0.41538810E+01 0.17262870E-01-0.23893740E-06 3 -0.10187000E-07 0.43405040E-11 0.60980700E+05 0.41365060E+01 4 i-C4H3 C 4H 3 G 0300.00 3000.00 1 !49 0.84874201E+01 0.86908937E-02-0.28544437E-05 0.41200798E-09-0.21301093E-13 2 0.54044069E+05-0.19018509E+02 0.35539713E+01 0.19461986E-01-0.48102484E-05 3 -0.97301225E-08 0.62390535E-11 0.55527377E+05 0.70829868E+01 4 C4H4 C 4H 4 G 0300.00 3000.00 1 !50 0.88921490E+01 0.10908850E-01-0.35949597E-05 0.51934190E-09-0.26808921E-13 2 0.29966522E+05-0.21726944E+02 0.21403370E+01 0.24605047E-01-0.36391657E-05 3 -0.15304014E-07 0.88964608E-11 0.32056170E+05 0.14282477E+02 4 (1,2)-C4H5 C 4H 5 G 0300.00 3000.00 1 !51 0.40734210E+01 0.24907370E-01-0.13229540E-04 0.34159060E-08-0.34874460E-12 2 0.33975420E+05 0.43252930E+01-0.19509230E+01 0.53281440E-01-0.65306770E-04 3 0.46994220E-07-0.14204880E-10 0.35048460E+05 0.32542460E+02 4 (1,3)-C4H5 C 4H 5 G 0300.00 3000.00 1 !52 0.72559180E+01 0.17141310E-01-0.74350450E-05 0.16410520E-08-0.15360780E-12 2 0.40227410E+05-0.12422830E+02-0.20329280E+01 0.53630530E-01-0.63382690E-04 3 0.40641440E-07-0.10398020E-10 0.42219650E+05 0.32787830E+02 4 i-C4H5 C 4H 5 G 0300.00 3000.00 1 !53 0.72559180E+01 0.17141310E-01-0.74350450E-05 0.16410520E-08-0.15360780E-12 2 0.36339860E+05-0.13420580E+02 0.10251400E+02-0.25627670E-01 0.10715090E-03 3 -0.11090190E-06 0.37550050E-10 0.37128550E+05-0.20574530E+02 4 (1,2)-C4H6 C 4H 6 G 0300.00 3000.00 1 !54 0.17815570E+02-0.42575020E-02 0.10511850E-04-0.44738440E-08 0.58481380E-12 2 0.12673420E+05-0.69826620E+02 0.10234670E+01 0.34959190E-01-0.22009050E-04 3 0.69422720E-08-0.78791870E-12 0.18117990E+05 0.19750660E+02 4 (1,3)-C4H6 C 4H 6 G 0300.00 3000.00 1 !55 0.71309430E+01 0.20640080E-01-0.93239060E-05 0.21473070E-08-0.20613610E-12 2 0.96126540E+04-0.14172220E+02-0.25309000E+01 0.53879690E-01-0.51739330E-04 3 0.25107200E-07-0.43247260E-11 0.11876910E+05 0.33913880E+02 4 c-C4H6 C 4H 6 G 0300.00 3000.00 1 !56 0.77061882E+01 0.15477240E-01-0.22161657E-05-0.17662189E-08 0.57283106E-12 2 0.25267377E+05-0.15592457E+02-0.19918253E+02 0.17644100E+00-0.35904226E-03 3 0.33266232E-06-0.11036895E-09 0.29933167E+05 0.10893895E+03 4 c-C4H6O C 4H 6O 1 G 0300.00 3000.00 1 !57 0.81249151E+01 0.22126706E-01-0.94601701E-05 0.18463787E-08-0.13361886E-12 2 -0.16010285E+05-0.12988613E+02 0.65807557E+00 0.45671389E-01-0.39022765E-04 3 0.19641071E-07-0.44435727E-11-0.14048275E+05 0.24973042E+02 4 C6H2 C 6H 2 G 0300.00 3000.00 1 !58 0.12532801E+02 0.87766321E-02-0.31329616E-05 0.50371820E-09-0.30071921E-13 2 0.79784338E+05-0.38858580E+02-0.54109216E+00 0.74532628E-01-0.13578252E-03 3 0.12226630E-06-0.41825207E-10 0.82115132E+05 0.21882710E+02 4 C8H2 C 8H 2 G 0300.00 3000.00 1 !59 0.17007524E+02 0.93656848E-02-0.30485718E-05 0.47653534E-09-0.29169032E-13 2 0.10628021E+06-0.59224564E+02 0.12470437E+01 0.78392526E-01-0.12416148E-03 3 0.98381697E-07-0.30063943E-10 0.10942891E+06 0.16048227E+02 4 C6H3 C 6H 3 G 0300.00 3000.00 1 !60 0.12761181E+02 0.10385573E-01-0.34791929E-05 0.51097326E-09-0.26909651E-13 2 0.74777062E+05-0.38917450E+02 0.50070896E+01 0.26928518E-01-0.59198655E-05 3 -0.15272335E-07 0.94083101E-11 0.77132000E+05 0.22256212E+01 4 !l-C6H4 C 6H 4 G 0300.00 3000.00 1 !61 ! 0.17183117E+02 0.66487658E-02-0.12416263E-05 0.14697448E-09-0.91398013E-14 2 ! 0.55076954E+05-0.64435183E+02 0.19323139E+01 0.39032183E-01-0.69227109E-05 3 !-0.27093357E-07 0.15730252E-10 0.59691948E+05 0.16516023E+02 4 !C6H4 1,5- trans A02/05C 6.H 4. 0. 0.G 200.000 6000.000 B 76.09596 1 l-C6H4 C 6H 4 G 0300.00 3000.00 1 ! Burcat 2009 1.22328906E+01 1.36328237E-02-4.80871703E-06 7.66968774E-10-4.55328106E-14 2 5.80208413E+04-3.69903232E+01 2.21633052E-01 5.81529280E-02-7.13934059E-05 3 4.76725943E-08-1.28753162E-11 6.08064933E+04 2.23249817E+01 6.29146636E+04 4 C6H5 C 6H 5 G 0300.00 3000.00 1 !62 0.11433509E+02 0.17014805E-01-0.58358992E-05 0.88020347E-09-0.47983644E-13 2 0.34541625E+05-0.38578339E+02-0.22878075E+01 0.42416330E-01-0.17666744E-05 3 -0.31422520E-07 0.16505464E-10 0.38870789E+05 0.35398270E+02 4 C6H5O C 6H 5O 1 G 0300.00 3000.00 1 !63 0.13833984E+02 0.17618403E-01-0.60696257E-05 0.91988173E-09-0.50449181E-13 2 -0.69212549E+03-0.50392990E+02-0.18219433E+01 0.48122510E-01-0.46792302E-05 3 -0.34018594E-07 0.18649637E-10 0.42429180E+04 0.33526199E+02 4 C6H5OH C 6H 6O 1 G 0300.00 3000.00 1 !64 0.14943568E+02 0.18317845E-01-0.61606479E-05 0.91048524E-09-0.48410806E-13 2 -0.18386828E+05-0.56096741E+02-0.16677656E+01 0.52091170E-01-0.67895007E-05 3 -0.36257116E-07 0.20586241E-10-0.13287539E+05 0.32421951E+02 4 C6H6 C 6H 6 G 0300.00 3000.00 1 !65 0.12910740E+02 0.17232966E-01-0.50242106E-05 0.58934968E-09-0.19475212E-13 2 0.36645117E+04-0.50026993E+02-0.31380119E+01 0.47231030E-01-0.29622079E-05 3 -0.32628190E-07 0.17186919E-10 0.88900312E+04 0.36575729E+02 4 c-C5H6 C 5H 6 G 0300.00 3000.00 1 !66 0.99757848E+01 0.18905543E-01-0.68411461E-05 0.11099340E-08-0.66680236E-13 2 0.11081693E+05-0.32209454E+02 0.86108957E+00 0.14804031E-01 0.72108895E-04 3 -0.11338055E-06 0.48689972E-10 0.14801755E+05 0.21353453E+02 4 C5H5 C 5H 5 G 0300.00 3000.00 1 !67 0.10844072E+02 0.15392831E-01-0.55630422E-05 0.90189440E-09-0.54156619E-13 2 0.26950886E+05-0.35254983E+02-0.95902849E+00 0.31396777E-01 0.26724050E-04 3 -0.68942183E-07 0.33301983E-10 0.30779441E+05 0.29072780E+02 4 !C5H5O C 5H 5O 1 G 0300.00 3000.00 1 !68 ! 0.12711510E+02 0.16650171E-01-0.60741189E-05 0.99090150E-09-0.59758183E-13 2 ! 0.66172961E+04-0.43161680E+02 0.45438248E-01 0.33871750E-01 0.25637288E-04 3 !-0.67844135E-07 0.32508364E-10 0.10797244E+05 0.26058142E+02 4 C5H5O C 5H 5O 1 G 300.000 3000.000 1 !2,4-c-C5H5O, Burcat 2009 0.85405312E+01 0.22989510E-01-0.95437563E-05 0.17061612E-08-0.97459360E-13 2 0.22263699E+05-0.20818825E+02-0.30777600E+01 0.52581679E-01-0.28856513E-04 3 -0.33885479E-08 0.63361399E-11 0.25510455E+05 0.39591522E+02 0.26570048E+05 4 C5H7 C 5H 7 G 200.000 6000.000 1 ! C5H7 CYCLO-1-PENTEN-1-YL RADICAL, Burcat 2009 9.74013709E+00 2.15079576E-02-7.71169114E-06 1.24352828E-09-7.43887470E-14 2 1.56355223E+04-2.89664925E+01 2.31203194E+00 7.01023600E-03 9.35725543E-05 3 -1.33744658E-07 5.55553794E-11 1.91721662E+04 1.72892593E+01 2.07617132E+04 4 l-C5H7 5C 5H 7 G 200.000 6000.000 1 ! C5H7 1,4-Pentadiene-3-yl H2C=CH-*CH-CH=CH2, Burcat 2009 1.01206141E+01 2.19623708E-02-8.13808356E-06 1.32677709E-09-7.97014062E-14 2 1.97304588E+04-2.73862410E+01 2.36470149E+00 2.39388874E-02 3.85164588E-05 3 -7.07659775E-08 3.11379069E-11 2.27262660E+04 1.71124336E+01 2.47104544E+04 4 C5H5OH C 5H 6O 1 G 200.000 6000.000 1 ! 2,4-C5H5OH, Burcat 2009 0.12073957E+02 0.19167781E-01-0.69148807E-05 0.11197648E-08-0.67186779E-13 2 -0.47916482E+04-0.40662174E+02 0.15607391E+01 0.22274522E-01 0.57195791E-04 3 -0.99408942E-07 0.43757325E-10-0.83475005E+03 0.19351929E+02 0.95014619E+03 4 !C5H4O C 5H 4O 1 G 0300.00 3000.00 1 !69 ! 0.78759394E+01 0.21847971E-01-0.97307748E-05 0.19727830E-08-0.14729530E-12 2 !-0.22396951E+04-0.19478951E+02-0.30239186E+01 0.52338127E-01-0.44466007E-04 3 ! 0.22263462E-07-0.52930564E-11 0.94996960E+03 0.37214970E+02 4 C5H4O C 5H 4O 1 G 200.000 6000.000 1 !Burcat 2009 1.00806824E+01 1.61143465E-02-5.83314509E-06 9.46759320E-10-5.68972206E-14 2 1.94364771E+03-2.94521623E+01 2.64576497E-01 3.34873827E-02 1.67738470E-06 3 -2.96207455E-08 1.54431476E-11 5.11159287E+03 2.35409513E+01 6.64245999E+03 4 !C5H4OH C 5H 5O 1 G 0300.00 3000.00 1 !70 ! 1.33741248E+01 1.51996469E-02-5.45685046E-06 8.80944866E-10-5.27493258E-14 2 ! 2.20358027E+03-4.59569069E+01-1.28398054E+00 4.90298511E-02-1.35844414E-05 3 !-2.92983743E-08 1.90820619E-11 6.37364803E+03 3.08073591E+01 4 C5H4OH C 5H 5O 1 G 200.000 6000.000 1 !Burcat 2009 1.33741248E+01 1.51996469E-02-5.45685046E-06 8.80944866E-10-5.27493258E-14 2 2.20358027E+03-4.59569069E+01-1.28398054E+00 4.90298511E-02-1.35844414E-05 3 -2.92983743E-08 1.90820619E-11 6.37364803E+03 3.08073591E+01 8.00114499E+03 4 l-C5H5 C 5H 5 G 0300.00 3000.00 1 !71 0.94095519E+01 0.13173708E-01-0.40061435E-05 0.59642775E-09-0.35402340E-13 2 0.43967887E+05-0.21271166E+02 0.22059680E+01 0.39193876E-01-0.40875017E-04 3 0.25229634E-07-0.65871791E-11 0.45603065E+05 0.14330572E+02 4 l-C5H6 C 5H 6 G 0300.00 3000.00 1 !72 0.18941353E+02 0.85102411E-02-0.14014643E-05 0.00000000E+00 0.00000000E+00 2 0.23852123E+05-0.77403470E+02-0.56457147E+00 0.48115796E-01-0.23131123E-04 3 0.00000000E+00 0.00000000E+00 0.30647513E+05 0.28139042E+02 4 l-C5H4 C 5H 4 G 0300.00 3000.00 1 !73 0.91465524E+01 0.12847056E-01-0.32463853E-05 0.39700433E-09-0.19573305E-13 2 0.48925483E+05-0.20999841E+02 0.17646776E+01 0.45425568E-01-0.58400827E-04 3 0.43937642E-07-0.13555336E-10 0.50224909E+05 0.13861447E+02 4 l-C5H3 C 5H 3 G 0300.00 3000.00 1 !74 0.10296658E+02 0.10470124E-01-0.37746103E-05 0.61077326E-09-0.36621089E-13 2 0.63439389E+05-0.27338507E+02 0.15946538E+01 0.43378369E-01-0.56253789E-04 3 0.41304029E-07-0.12456939E-10 0.65491079E+05 0.15644812E+02 4 l-C5H2 C 5H 2 G 0300.00 3000.00 1 !75 0.11329175E+02 0.74240565E-02-0.26281887E-05 0.40825410E-09-0.23013326E-13 2 0.78787062E+05-0.36184340E+02 0.30623217E+01 0.27099982E-01-0.10091697E-04 3 -0.12727451E-07 0.91672191E-11 0.81149687E+05 0.70842413E+01 4 !c-C6H4 C 6H 4 G 0300.00 3000.00 1 !76 ! 0.10582770E+02 0.15914908E-01-0.58202018E-05 0.95108725E-09-0.57425956E-13 2 ! 0.52834650E+05-0.32571269E+02 0.28042240E+00 0.26170563E-01 0.29996638E-04 3 !-0.63979566E-07 0.29103081E-10 0.56470786E+05 0.24784179E+02 4 !1,2-C6H4 BENZYNE A02/05C 6.H 4. 0. 0.G 200.000 6000.000 B 76.09596 1 !O-BENZYNE c-C6H4 C 6H 4 G 0300.00 3000.00 1 ! Burcat, 2009 1.05707063E+01 1.56860613E-02-5.68267148E-06 9.22956737E-10-5.54966417E-14 2 5.04976657E+04-3.32563927E+01 7.21604591E-01 2.47976151E-02 3.16372209E-05 3 -6.53230986E-08 2.96082142E-11 5.39797980E+04 2.16733825E+01 5.54615216E+04 4 (1,2)-C6H6 C 6H 6 G 0300.00 3000.00 1 !77 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.43917676E+05-0.41652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.47064288E+05 0.22128592E+02 4 (1,5)-C6H6 C 6H 6 G 0300.00 3000.00 1 !78 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.44417676E+05-0.41652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.47564288E+05 0.22128592E+02 4 (1,3)-C6H6 C 6H 6 G 0300.00 3000.00 1 !79 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.34835236E+05-0.42652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.37981848E+05 0.21128592E+02 4 (1,5)-C6H5 C 6H 5 G 0300.00 3000.00 1 !80 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.59503716E+05-0.42652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.62650312E+05 0.21128592E+02 4 (1,3)-C6H5 C 6H 5 G 0300.00 3000.00 1 !81 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.66050312E+05-0.41652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.68596908E+05 0.22128592E+02 4 c-C6H7 C 6H 7 G 0300.00 3000.00 1 !82 0.12801758E+02 0.21924749E-01-0.79713001E-05 0.12972935E-08-0.78100416E-13 2 0.17889539E+05-0.45804341E+02-0.10303140E+00 0.34393354E-01 0.39788466E-04 3 -0.85116612E-07 0.39012224E-10 0.22425515E+05 0.26022350E+02 4 l-C6H7 C 6H 7 G 0300.00 3000.00 1 !83 0.13532274E+02 0.21389740E-01-0.86673463E-05 0.16190540E-08-0.11331597E-12 2 0.40693867E+05-0.43202858E+02-0.29128010E+01 0.75948097E-01-0.81558552E-04 3 0.48383356E-07-0.12099709E-10 0.44863027E+05 0.39691467E+02 4 (1,2,4,5)-C6H6 C 6H 6 G 0300.00 3000.00 1 !84 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.42134058E+05-0.42652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.45280670E+05 0.21128592E+02 4 f-C6H6 C 6H 6 G 0300.00 3000.00 1 !85 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.20846783E+05-0.46451032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.23993395E+05 0.17329458E+02 4 m-C6H6 C 6H 6 G 0300.00 3000.00 1 !86 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.34835236E+05-0.46451032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.37981848E+05 0.17329458E+02 4 C4H2O C 4H 2O 1 G 0300.00 3000.00 1 !87 0.10268878E+02 0.48961640E-02-0.48850800E-06-0.27085660E-09 0.51070130E-13 2 0.23469020E+05-0.28159850E+02 0.48109710E+01 0.13139988E-01 0.98650730E-06 3 -0.61207200E-08 0.16400028E-11 0.25458030E+05 0.21134240E+01 4 c-C6H8 C 6H 8 G 0300.00 3000.00 1 !88 0.11779870E+02 0.25519980E-01-0.92666947E-05 0.15068122E-08-0.90658701E-13 2 0.65486686E+04-0.41618805E+02 0.17265319E+01 0.14887612E-01 0.94809230E-04 3 -0.14083394E-06 0.58859873E-10 0.11021297E+05 0.19130886E+02 4 (2)-C4H6 C 4H 6 G 0300.00 3000.00 1 !89 0.80465832E+01 0.16485251E-01-0.55222272E-05 0.81235929E-09-0.42950784E-13 2 0.13701305E+05-0.18017740E+02 0.31971083E+01 0.20255916E-01 0.65101922E-05 3 -0.16584423E-07 0.64002822E-11 0.15715203E+05 0.99088230E+01 4 (1)-C4H6 C 4H 6 G 0300.00 3000.00 1 !90 0.80465832E+01 0.16485251E-01-0.55222272E-05 0.81235929E-09-0.42950784E-13 2 0.16201305E+05-0.18017740E+02 0.31971083E+01 0.20255916E-01 0.65101922E-05 3 -0.16584423E-07 0.64002822E-11 0.18215203E+05 0.99088230E+01 4 C2H3CO C 3H 3O 1 G 0300.00 3000.00 1 !91 6.90703955E+00 1.02341927E-02-3.65649593E-06 5.87914100E-10-3.51359226E-14 2 7.62708561E+03-7.29856114E+00 4.11237192E+00 5.05829116E-03 3.17832265E-05 3 -4.55489258E-08 1.86325507E-11 8.99713585E+03 1.01743843E+01 4 C2H3CHO C 3H 4O 1 G 0300.00 3000.00 1 !92 0.48353180E+01 0.19772601E-01-0.10426628E-04 0.26525803E-08-0.26278207E-12 2 -0.11557837E+05 0.18853144E+01 0.11529584E+01 0.28040214E-01-0.15072153E-04 3 0.15905842E-08 0.84930371E-12-0.10417694E+05 0.21453279E+02 4 c-C3H5O C 3H 5O 1 G 0300.00 3000.00 1 !93 0.91206991E+01 0.12196117E-01-0.42929777E-05 0.12616892E-08-0.15705367E-12 2 0.91765012E+04-0.22071447E+02 0.70599393E+00 0.25629797E-01 0.71080411E-05 3 -0.29693495E-07 0.14360721E-10 0.11909268E+05 0.23610039E+02 4 c-C3H6O C 3H 6O 1 G 0300.00 3000.00 1 !94 0.86900558E+01 0.16020987E-01-0.53971753E-05 0.79941542E-09-0.42656366E-13 2 -0.15420691E+05-0.22485016E+02 0.48733836E+00 0.28519690E-01 0.30096162E-05 3 -0.22652642E-07 0.10706728E-10-0.12556434E+05 0.22605270E+02 4 C3H6OH C 3H 7O 1 G 0300.00 3000.00 1 !95 0.87109009E+01 0.20803801E-01-0.73841230E-05 0.11817484E-08-0.70349614E-13 2 -0.13443662E+05-0.18900965E+02 0.52779942E+01 0.80866061E-03 0.82154818E-04 3 -0.10848818E-06 0.43488690E-10-0.11153823E+05 0.57052684E+01 4 CH3CHO C 2H 4O 1 G 0300.00 3000.00 1 !96 0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13 2 -0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04 3 -0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01 4 c-C2H3O C 2H 3O 1 G 200.000 6000.000 1 ! Burcat 2005 5.60158035E+00 9.17613962E-03-3.28028902E-06 5.27903888E-10-3.15362241E-14 2 1.71446252E+04-5.47228512E+00 3.58349017E+00-6.02275805E-03 6.32426867E-05 3 -8.18540707E-08 3.30444505E-11 1.85681353E+04 9.59725926E+00 1.97814471E+04 4 C3H5CHO C 4H 6O 1 G 0300.00 3000.00 1 !98 0.81249151E+01 0.22126706E-01-0.94601701E-05 0.18463787E-08-0.13361886E-12 2 -0.28950586E+04-0.12988613E+02 0.65807557E+00 0.45671389E-01-0.39022765E-04 3 0.19641071E-07-0.44435727E-11-0.93304871E+03 0.24973042E+02 4 C4H4O C 4H 4O 1 G 0300.00 3000.00 1 !99 0.16174722E+01 0.37716053E-01-0.23935409E-04 0.72674178E-08-0.84449082E-12 2 0.17129492E+04 0.13399043E+02-0.33123374E+01 0.54107033E-01-0.48252157E-04 3 0.26132914E-07-0.68544311E-11 0.30042001E+04 0.38434387E+02 4 CH3COCH3 C 3H 6O 1 G 0300.00 3000.00 1 !100 0.72975991E+01 0.17566207E-01-0.63170456E-05 0.10203086E-08-0.61094016E-13 2 -0.29817680E+05-0.12756981E+02 0.55557943E+01-0.28365428E-02 0.70568945E-04 3 -0.87810488E-07 0.34028266E-10-0.28113337E+05 0.23226600E+01 4 C2H5CHO C 3H 6O 1 G 0300.00 3000.00 1 !101 0.33137982E+01 0.26619606E-01-0.10475596E-04 0.18815334E-08-0.12761310E-12 2 -0.25459603E+05 0.96608447E+01 0.76044596E+01-0.86403564E-02 0.73930097E-04 3 -0.79687398E-07 0.28004927E-10-0.25489789E+05-0.67643691E+01 4 C2H5CO C 3H 5O 1 G 0300.00 3000.00 1 !102 0.30445698E+01 0.23236429E-01-0.86317936E-05 0.14799550E-08-0.96860829E-13 2 -0.61787211E+04 0.13122302E+02 0.67368294E+01-0.26945299E-02 0.49927017E-04 3 -0.50025808E-07 0.15011503E-10-0.65703366E+04-0.23398732E+01 4 C2H4CHO C 3H 5O 1 G 0300.00 3000.00 1 !103 0.30445698E+01 0.23236429E-01-0.86317936E-05 0.14799550E-08-0.96860829E-13 2 -0.18787211E+04 0.13122302E+02 0.67368294E+01-0.26945299E-02 0.49927017E-04 3 -0.50025808E-07 0.15011503E-10-0.28703366E+04-0.23398732E+01 4 CH3COCH2 C 3H 5O 1 G 0300.00 3000.00 1 !104 0.72554278E+01 0.15458520E-01-0.55798138E-05 0.90356727E-09-0.54203987E-13 2 -0.52833268E+04-0.11180177E+02 0.39944373E+01 0.40814746E-02 0.52034636E-04 3 -0.70009530E-07 0.27882479E-10-0.33976925E+04 0.10569296E+02 4 C5H C 5H 1 G 0300.00 3000.00 1 !105 0.86957493E+01 0.60543008E-02-0.20160105E-05 0.28928926E-09-0.14700995E-13 2 0.90310687E+05-0.21029110E+02 0.16348248E+01 0.25095381E-01-0.12066364E-04 3 -0.10465111E-07 0.88099883E-11 0.92124875E+05 0.15135100E+02 4 l-C3H2 C 3H 2 G 0300.00 3000.00 1 !158 0.62476406E+01 0.56755154E-02-0.19541329E-05 0.31686787E-09-0.19722328E-13 2 0.70900772E+05-0.63712327E+01 0.36613541E+01 0.89364130E-02 0.35404269E-05 3 -0.11072967E-07 0.52009416E-11 0.71828416E+05 0.79774693E+01 4 C2 C 2 G 0300.00 3000.00 1 !164 0.37913706E+01 0.51650473E-03-0.25486960E-07-0.82263554E-11 0.10086168E-14 2 0.99023059E+05 0.28151802E+01 0.86470550E+00 0.39353120E-01-0.11981818E-03 3 0.13908103E-06-0.55205503E-10 0.98731303E+05 0.11530141E+02 4 CH2CHO C 2H 3O 1 G 0300.00 3000.00 1 !165 0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2 0.49032178E+03-0.50320879E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3 -0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95714535E+01 4 CH3CO C 2H 3O 1 G 200.000 6000.000 1 ! Burcat 2005 0.53137165E+01 0.91737793E-02-0.33220386E-05 0.53947456E-09-0.32452368E-13 2 -0.36450414E+04-0.16757558E+01 0.40358705E+01 0.87729487E-03 0.30710010E-04 3 -0.39247565E-07 0.15296869E-10-0.26820738E+04 0.78617682E+01 4 N2 N 2 G 0300.00 3000.00 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 Ar Ar 1 G 300.000 5000.000 1000.000 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.07453750E+04 0.04366000E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366000E+02 4 C2H5OH C 2H 6O 1 G 200.000 6000.000 1 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2 -0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3 -0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4 C2H4OH C 2H 5O 1 G 200.000 6000.000 1 ! Burcat 2005 7.02824536E+00 1.20037746E-02-4.21306455E-06 6.69471213E-10-3.96371893E-14 2 -5.92493321E+03-9.40355948E+00 4.47893092E+00 7.59782301E-03 2.81794908E-05 3 -4.26953487E-08 1.78878934E-11-4.71446256E+03 6.38921206E+00-2.86833500E+03 4 CH3CHOH C 2H 5O 1 G 200.000 6000.000 1 ! Burcat 2005 6.35842302E+00 1.24356276E-02-4.33096839E-06 6.84530381E-10-4.03713238E-14 2 -9.37900432E+03-6.05106112E+00 4.22283250E+00 5.12174798E-03 3.48386522E-05 3 -4.91943637E-08 2.01183723E-11-8.20503939E+03 8.01675700E+00-6.49827831E+03 4 CH3CH2O C 2H 5O 1 G 200.000 6000.000 1 ! Burcat 2005 0.66889982E+01 0.13125676E-01-0.47038840E-05 0.75858552E-09-0.45413306E-13 2 -0.47457832E+04-0.96983755E+01 0.43074268E+01 0.64147205E-02 0.31139714E-04 3 -0.43314083E-07 0.17276184E-10-0.34027524E+04 0.59025837E+01-0.16357022E+04 4 c-C2H4O C 2H 4O 1 G 200.000 6000.000 1 0.54887641E+01 0.12046190E-01-0.43336931E-05 0.70028311E-09-0.41949088E-13 2 -0.91804251E+04-0.70799605E+01 0.37590532E+01-0.94412180E-02 0.80309721E-04 3 -0.10080788E-06 0.40039921E-10-0.75608143E+04 0.78497475E+01 4 CH2CHOH L 8/89C 2H 4O 1 0G 200.000 6000.000 1 0.68220305E+01 0.11059739E-01-0.39224574E-05 0.62778505E-09-0.37355714E-13 2 -0.18038769E+05-0.83716090E+01 0.30137746E+01 0.10203771E-01 0.25405637E-04 3 -0.42341002E-07 0.18267561E-10-0.16497347E+05 0.13873511E+02 4 p-C6H4O2 C 6H 4O 2 G 200.000 6000.000 1 ! Burcat, 2009 1.43886174E+01 1.81624210E-02-6.69934678E-06 1.10097880E-09-6.67372266E-14 2 -2.12444054E+04-5.02572901E+01 3.79867882E+00 2.51676569E-02 3.79846917E-05 3 -7.06777516E-08 3.06126573E-11-1.72429606E+04 9.80455363E+00 4 o-C6H4O2 C 6H 4O 2 G 200.000 3000.000 1 ! Sebbar et al., 2008 0.53270822E+01 0.34800295E-01-0.17912185E-04 0.42151602E-08-0.38272182E-12 2 -0.13942550E+05-0.64045805E+00-0.14138210E+01 0.56124251E-01-0.40379684E-04 3 0.12221919E-07-0.50503406E-12-0.12351687E+05 0.33195492E+02 4 C6H5CO C 7H 5O 1 G 0300.00 3000.00 1 !106 0.17622308E+02 0.16097949E-01-0.55804027E-05 0.87496123E-09-0.51136800E-13 2 0.46269011E+04-0.67675312E+02-0.24315751E+01 0.68883315E-01-0.71578368E-04 3 0.47745015E-07-0.13654692E-10 0.11290687E+05 0.38843224E+02 4 C7H8 C 7H 8 G 0300.00 3000.00 1 !107 0.12940034E+02 0.26691287E-01-0.96838505E-05 0.15738629E-08-0.94663601E-13 2 -0.69764908E+03-0.46728785E+02 0.16152663E+01 0.21099438E-01 0.85366018E-04 3 -0.13261066E-06 0.55956604E-10 0.40756300E+04 0.20282210E+02 4 C7H7 C 7H 7 G 0300.00 3000.00 1 !108 0.44194999E+01 0.44936005E-01-0.25128857E-04 0.67524586E-08-0.70487436E-12 2 0.22388117E+05 0.59883118E-01 0.28736699E+01 0.19180268E-01 0.68807836E-04 3 -0.91760405E-07 0.31172908E-10 0.23752270E+05 0.14393669E+02 4 l-C7H7 C 7H 7 G 0300.00 3000.00 1 !109 0.14859274E+02 0.20012869E-01-0.65044005E-05 0.87259461E-09-0.24558031E-13 2 0.44566938E+05-0.54048538E+02-0.49989891E+00 0.70203640E-01-0.69530965E-04 3 0.36911000E-07-0.78679745E-11 0.48398668E+05 0.23319450E+02 4 C7H6O C 7H 6O 1 G 0300.00 3000.00 1 !112 0.13650737E+02 0.25680419E-01-0.10466729E-04 0.19413430E-08-0.13483792E-12 2 -0.11019744E+05-0.47965796E+02-0.31627334E+01 0.66369245E-01-0.34816353E-04 3 -0.62999377E-08 0.85807101E-11-0.61169349E+04 0.40231735E+02 4 C8H8 C 8H 8 G 0300.00 3000.00 1 !114 0.57468890E+01 0.48250760E-01-0.25794920E-04 0.65860550E-08-0.65297670E-12 2 0.13434980E+05-0.60621620E+01 0.11784510E+01 0.35972650E-01 0.63202020E-04 3 -0.12341850E-06 0.57205890E-10 0.15406210E+05 0.22145280E+02 4 C8H10 C 8H 10 G 200.000 6000.000 1 !115 0.38789780E+01 0.58100590E-01-0.31963800E-04 0.84489930E-08 0.86948250E-12 2 -0.50249220E+03 0.38370990E+01-0.72668450E+01 0.10030890E+00-0.96517150E-04 3 0.55659080E-07-0.14533700E-10 0.19872900E+04 0.58577460E+02 4 C8H9 C 8H 9 G 0300.00 3000.00 1 !116 0.71588910E+01 0.48848290E-01-0.25544540E-04 0.64046460E-08-0.62730240E-12 2 0.13474790E+05-0.12686970E+02-0.82283280E+01 0.10714390E+00-0.11722610E-03 3 0.76758390E-07-0.22156920E-10 0.16992210E+05 0.63080510E+02 4 C8H6 C 8H 6 G 0300.00 3000.00 1 !117 0.63306952E+01 0.42378012E-01-0.23660930E-04 0.63243646E-08-0.65648718E-12 2 0.33083576E+05-0.90218239E+01-0.53688774E+01 0.86102039E-01-0.85647887E-04 3 0.45469992E-07-0.98395866E-11 0.35633689E+05 0.48312672E+02 4 C8H7 C 8H 7 G 0300.00 3000.00 1 !118 0.95205498E+01 0.40670000E-01-0.20274416E-04 0.48689093E-08-0.45740218E-12 2 0.41144902E+05-0.26648735E+02-0.46888218E+01 0.81018507E-01-0.61910330E-04 3 0.23259584E-07-0.33512908E-11 0.45039766E+05 0.46568810E+02 4 C7H7O C 7H 7O 1 G 0300.00 3000.00 1 !119 -0.93710709E+00 0.63711032E-01-0.39299259E-04 0.11217669E-07-0.12150759E-11 2 0.11671887E+05 0.31596107E+02-0.19170570E+01 0.64069577E-01-0.35999619E-04 3 0.71819772E-08 0.14239142E-12 0.12110132E+05 0.37362877E+02 4 C7H6 C 7H 6 G 0300.00 3000.00 1 !123 0.98222523E+01 0.33532158E-01-0.18960140E-04 0.51221400E-08-0.52916027E-12 2 0.39350844E+05-0.23534618E+02 0.10617721E+01 0.60266692E-01-0.48446786E-04 3 0.18895387E-07-0.27898133E-11 0.41581770E+05 0.20963522E+02 4 C8H5 C 8H 5 G 0300.00 3000.00 1 !125 -0.25877289E+02 0.11646476E+00-0.87117420E-04 0.28873247E-07-0.35003265E-11 2 0.73093461E+05 0.15948605E+03-0.22098993E+02 0.20414677E+00-0.37352796E-03 3 0.32017644E-06-0.99853313E-10 0.67389086E+05 0.11589723E+03 4 C12H10 C 12H 10 G 200.000 6000.000 1 !159 0.24289017E+02 0.34006648E-01-0.11722408E-04 0.17729298E-08-0.96812532E-13 2 0.10287000E+05-0.10802374E+03-0.40739527E+01 0.86973310E-01-0.42353613E-05 3 -0.64564460E-07 0.34150169E-10 0.19405965E+05 0.44741348E+02 4