! 2015-05-13: Lars Seidel: Numeric format was unified THERMO 300.000 1000.000 5000.000 H H 1 0 0 0 298.000 5000.000 1000.00 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.25471620E+05-0.46011760E+00 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.25471620E+05-0.46011760E+00 4 O O 1 0 0 0 298.000 5000.000 1000.00 1 0.25420590E+01-0.27550610E-04-0.31028030E-08 0.45510670E-11-0.43680510E-15 2 0.29230800E+05 0.49203080E+01 0.29464280E+01-0.16381665E-02 0.24210310E-05 3 -0.16028431E-08 0.38906960E-12 0.29147640E+05 0.29639950E+01 4 OH H 1O 1 0 0 298.000 5000.000 1000.00 1 0.28827300E+01 0.10139743E-02-0.22768770E-06 0.21746830E-10-0.51263050E-15 2 0.38868880E+04 0.55957120E+01 0.36372660E+01 0.18509100E-03-0.16761646E-05 3 0.23872020E-08-0.84314420E-12 0.36067810E+04 0.13588605E+01 4 HO2 H 1O 2 0 0 298.000 5000.000 1000.00 1 0.40721910E+01 0.21312960E-02-0.53081450E-06 0.61122690E-10-0.28411640E-14 2 -0.15797270E+03 0.34760290E+01 0.29799630E+01 0.49966970E-02-0.37909970E-05 3 0.23541920E-08-0.80890240E-12 0.17622730E+03 0.92227240E+01 4 H2O2 H 2O 2 0 0 298.000 5000.000 1000.00 1 0.45731670E+01 0.43361360E-02-0.14746888E-05 0.23489030E-09-0.14316536E-13 2 -0.18006960E+05 0.50113690E+00 0.33887530E+01 0.65692260E-02-0.14850125E-06 3 -0.46258050E-08 0.24715140E-11-0.17663140E+05 0.67853630E+01 4 CH C 1H 1 0 0 298.000 5000.000 1000.00 1 0.21962233E+01 0.23403810E-02-0.70582013E-06 0.90075822E-10-0.38550401E-14 2 0.70867234E+05 0.91783733E+01 0.32002025E+01 0.20728756E-02-0.51344314E-05 3 0.57338903E-08-0.19555332E-11 0.70452594E+05 0.33315878E+01 4 HCO C 1H 1O 1 0 298.000 5000.000 1000.00 1 0.35572710E+01 0.33455720E-02-0.13350060E-05 0.24705720E-09-0.17138500E-13 2 0.39163240E+04 0.55522990E+01 0.28983290E+01 0.61991460E-02-0.96230840E-05 3 0.10898249E-07-0.45748850E-11 0.41599220E+04 0.89836140E+01 4 CH2-1 C 1H 2 0 0 298.000 5000.000 1000.00 1 0.35528886E+01 0.20667883E-02-0.19141160E-06-0.11046734E-09 0.20213496E-13 2 0.49849754E+05 0.16865701E+01 0.39712651E+01-0.16990888E-03 0.10253689E-05 3 0.24925508E-08-0.19812663E-11 0.49893676E+05 0.57532072E-01 4 CH2-3 C 1H 2 0 0 298.000 5000.000 1000.00 1 0.36364078E+01 0.19330566E-02-0.16870163E-06-0.10098994E-09 0.18082558E-13 2 0.45341340E+05 0.21565607E+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 0 298.000 5000.000 1000.00 1 0.29956062E+01 0.66813212E-02-0.26289547E-05 0.47371529E-09-0.32125175E-13 2 -0.15320369E+05 0.69125724E+01 0.16527312E+01 0.12631439E-01-0.18881685E-04 3 0.20500314E-07-0.84132371E-11-0.14865404E+05 0.13784820E+02 4 CH3 C 1H 3 0 0 298.000 5000.000 1000.00 1 0.28440516E+01 0.61379741E-02-0.22303452E-05 0.37851608E-09-0.24521590E-13 2 0.16437809E+05 0.54526973E+01 0.24304428E+01 0.11124099E-01-0.16802203E-04 3 0.16218287E-07-0.58649526E-11 0.16423781E+05 0.67897940E+01 4 CH3O C 1H 3O 1 0 298.000 5000.000 1000.00 1 0.37707996E+01 0.78714974E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2 0.12783252E+03 0.29295750E+01 0.21062040E+01 0.72165951E-02 0.53384720E-05 3 -0.73776363E-08 0.20756105E-11 0.97860107E+03 0.13152177E+02 4 CH3O2 C 1H 3O 2 0 298.000 5000.000 1000.00 1 0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2 0.52621851E+03-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-07 3 -0.11274587E-07 0.56665133E-11 0.20695879E+04 0.15007068E+02 4 CH4 C 1H 4 0 0 298.000 5000.000 1000.00 1 0.16834788E+01 0.10237236E-01-0.38751286E-05 0.67855849E-09-0.45034231E-13 2 -0.10080787E+05 0.96233950E+01 0.77874148E+00 0.17476683E-01-0.27834090E-04 3 0.30497080E-07-0.12239307E-10-0.98252285E+04 0.13722195E+02 4 CH3O2H C 1H 4O 2 0 298.000 5000.000 1390.00 1 0.84311709E+01 0.80681791E-02-0.27709492E-05 0.43133224E-09-0.25069215E-13 2 -0.19667877E+05-0.18613792E+02 0.32344282E+01 0.19012977E-01-0.11338629E-04 3 0.34030665E-08-0.41183022E-12-0.17719793E+05 0.97595108E+01 4 C2H C 2H 1 0 0 298.000 5000.000 1000.00 1 0.45165185E+01 0.20703981E-02-0.52797084E-06 0.81878324E-10-0.60232424E-14 2 0.66368367E+05-0.17040235E+01 0.19856854E+01 0.13362670E-01-0.22374567E-04 3 0.20021588E-07-0.68605756E-11 0.66921246E+05 0.10476447E+02 4 HCCO C 2H 1O 1 0 298.000 5000.000 1000.00 1 0.67580728E+01 0.20004003E-02-0.20276073E-06-0.10411318E-09 0.19651647E-13 2 0.19015133E+05-0.90712624E+01 0.50479651E+01 0.44534779E-02 0.22682828E-06 3 -0.14820946E-08 0.22507415E-12 0.19658918E+05 0.48184395E+00 4 C2H2 C 2H 2 0 0 298.000 5000.000 1000.00 1 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 0.88053780E+01 4 CH2CO C 2H 2O 1 0 298.000 5000.000 1000.00 1 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 0 0 298.000 5000.000 1000.00 1 0.59334679E+01 0.40177456E-02-0.39667395E-06-0.14412666E-09 0.23786435E-13 2 0.31854346E+05-0.85303125E+01 0.24592764E+01 0.73714764E-02 0.21098729E-05 3 -0.13216421E-08-0.11847838E-11 0.33352250E+05 0.11556202E+02 4 CH2CHO C 2H 3O 1 0 298.000 5000.000 1000.00 1 0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2 0.49032178E+03-0.50452509E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3 -0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95582905E+01 4 CH3CO C 2H 3O 1 0 298.000 5000.000 1000.00 1 0.56122789E+01 0.84498860E-02-0.28541472E-05 0.42383763E-09-0.22684037E-13 2 -0.51878633E+04-0.32749491E+01 0.31252785E+01 0.97782202E-02 0.45214483E-05 3 -0.90094616E-08 0.31937179E-11-0.41085078E+04 0.11228854E+02 4 C2H4 C 2H 4 0 0 298.000 5000.000 1000.00 1 0.35284188E+01 0.11485185E-01-0.44183853E-05 0.78446005E-09-0.52668485E-13 2 0.44282886E+04 0.22303891E+01-0.86148799E+00 0.27961628E-01-0.33886772E-04 3 0.27851522E-07-0.97378789E-11 0.55730459E+04 0.24211487E+02 4 CH3CHO C 2H 4O 1 0 298.000 5000.000 1000.00 1 0.58686504E+01 0.10794241E-01-0.36455303E-05 0.54129123E-09-0.28968442E-13 2 -0.22645687E+05-0.60129461E+01 0.25056953E+01 0.13369907E-01 0.46719533E-05 3 -0.11281401E-07 0.42635661E-11-0.21245887E+05 0.13350887E+02 4 C2H5 C 2H 5 0 0 298.000 5000.000 1000.00 1 0.71904802E+01 0.64840773E-02-0.64280647E-06-0.23478794E-09 0.38808773E-13 2 0.10674549E+05-0.14780892E+02 0.26907017E+01 0.87191332E-02 0.44198387E-05 3 0.93387031E-09-0.39277735E-11 0.12870404E+05 0.12138195E+02 4 C2H5O C 2H 5O 1 0 298.000 5000.000 1000.00 1 0.60114346E+01 0.12165219E-01-0.40449604E-05 0.59076588E-09-0.30969595E-13 2 -0.49366992E+04-0.68033428E+01 0.17302504E+01 0.16908489E-01 0.39996221E-05 3 -0.13711180E-07 0.57643603E-11-0.32922483E+04 0.17322952E+02 4 C3H2 C 3H 2 0 0 298.000 5000.000 1000.00 1 0.65308530E+01 0.58703160E-02-0.17207760E-05 0.21274980E-09-0.82919100E-14 2 0.51152130E+05-0.11227278E+02 0.26910770E+01 0.14803664E-01-0.32505510E-05 3 -0.86443630E-08 0.52848770E-11 0.52190720E+05 0.87573910E+01 4 C3H3 C 3H 3 0 0 298.000 5000.000 1000.00 1 0.80916252E+01 0.37372850E-02 0.13886647E-05-0.12298604E-08 0.20681585E-12 2 0.35437793E+05-0.18204468E+02 0.25097322E+01 0.17103866E-01-0.45710858E-05 3 -0.82841574E-08 0.54362287E-11 0.37040680E+05 0.11011264E+02 4 C3H4 C 3H 4 0 0 298.000 5000.000 1000.00 1 0.97762560E+01 0.53021380E-02-0.37011180E-06-0.30263860E-09 0.50895810E-13 2 0.19549720E+05-0.30770610E+02 0.25398310E+01 0.16334370E-01-0.17649500E-05 3 -0.46473650E-08 0.17291310E-11 0.22512430E+05 0.99357020E+01 4 C3H5 C 3H 5 0 0 298.000 5000.000 1000.00 1 0.79091978E+01 0.12115255E-01-0.41175863E-05 0.61566796E-09-0.33235733E-13 2 0.12354156E+05-0.19672333E+02-0.54100400E+00 0.27284101E-01-0.96365329E-06 3 -0.19129462E-07 0.98394175E-11 0.15130395E+05 0.26067337E+02 4 C3H6 C 3H 6 0 0 298.000 5000.000 1000.00 1 0.67322570E+01 0.14908336E-01-0.49498990E-05 0.72120220E-09-0.37662040E-13 2 -0.92357030E+03-0.13313348E+02 0.14933071E+01 0.20925170E-01 0.44867940E-05 3 -0.16689121E-07 0.71581460E-11 0.10748264E+04 0.16145340E+02 4 N-C3H7 C 3H 7 0 0 298.000 5000.000 1000.00 1 0.79782900E+01 0.15761134E-01-0.51732430E-05 0.74438920E-09-0.38249780E-13 2 0.75794020E+04-0.19356110E+02 0.19225360E+01 0.24789270E-01 0.18102490E-05 3 -0.17832650E-07 0.85829960E-11 0.97132810E+04 0.13992715E+02 4 C3H8 C 3H 8 0 0 298.000 5000.000 1000.00 1 0.75252170E+01 0.18890340E-01-0.62839240E-05 0.91793730E-09-0.48124100E-13 2 -0.16464548E+05-0.17843900E+02 0.89692080E+00 0.26689860E-01 0.54314250E-05 3 -0.21260000E-07 0.92433300E-11-0.13954918E+05 0.19355330E+02 4 C4H2 C 4H 2 0 0 298.000 5000.000 1000.00 1 0.90314074E+01 0.60472526E-02-0.19487888E-05 0.27548630E-09-0.13856080E-13 2 0.49863400E+05-0.23850677E+02 0.40051918E+01 0.19810002E-01-0.98658775E-05 3 -0.66351582E-08 0.60774129E-11 0.51156693E+05 0.18457365E+01 4 N-C4H3 C 4H 3 0 0 298.000 5000.000 1000.00 1 0.54328279E+01 0.16860981E-01-0.94313109E-05 0.25703895E-08-0.27456309E-12 2 0.61600680E+05-0.15673981E+01-0.31684113E+00 0.46912100E-01-0.68093810E-04 3 0.53179921E-07-0.16523005E-10 0.62476199E+05 0.24622559E+02 4 N-C4H5 C 4H 5 0 0 298.000 5000.000 1000.00 1 0.12865971E+02 0.79433690E-02-0.86264660E-06-0.46556350E-09 0.89511310E-13 2 0.37835520E+05-0.41825020E+02 0.29952400E+01 0.22884560E-01 0.19754710E-05 3 -0.11482454E-07 0.31978230E-11 0.41422180E+05 0.12894539E+02 4 C4H7 C 4H 7 0 0 298.000 5000.000 1000.00 1 0.54406620E+01 0.27446030E-01-0.13654960E-04 0.33403520E-08-0.32900500E-12 2 0.19037120E+05-0.28759650E+01 0.92781510E+01-0.29563050E-01 0.16328660E-03 3 -0.20005760E-06 0.79346050E-10 0.19638130E+05-0.12965530E+02 4 C4H8-1 C 4H 8 0 0 298.000 5000.000 1000.00 1 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2 -0.21397231E+04 0.15543201E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3 -0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21062469E+02 4 C4H9-1 C 4H 9 0 0 298.000 5000.000 1000.00 1 0.90049105E+01 0.24003319E-01-0.89551868E-05 0.15322594E-08-0.98247040E-13 2 0.34630112E+04-0.20525192E+02 0.21864157E+01 0.33004966E-01 0.30301208E-05 3 -0.24040720E-07 0.11306377E-10 0.58979180E+04 0.17254166E+02 4 C6H3 C 6H 3 0 0 298.000 4000.000 1000.00 1 0.58188343E+01 0.27933408E-01-0.17825427E-04 0.53702536E-08-0.61707627E-12 2 0.85188250E+05-0.92147827E+00 0.11790619E+01 0.55547360E-01-0.73076168E-04 3 0.52076736E-07-0.15046964E-10 0.85647312E+05 0.19179199E+02 4 N-C6H5 C 6H 5 0 0 298.000 5000.000 1000.00 1 0.16070068E+02 0.81899539E-02 0.17325165E-05-0.20624185E-08 0.36292345E-12 2 0.64616867E+05-0.56163742E+02-0.61135769E+00 0.65082610E-01-0.78262397E-04 3 0.53030828E-07-0.14946683E-10 0.68805375E+05 0.27635468E+02 4 C6H5O C 6H 5O 1 0 298.000 5000.000 1000.00 1 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 0 298.000 5000.000 1000.00 1 0.14912073E+02 0.18378135E-01-0.61983128E-05 0.91983221E-09-0.49209565E-13 2 -0.18375199E+05-0.55924103E+02-0.16956539E+01 0.52271299E-01-0.72024050E-05 3 -0.35859603E-07 0.20449073E-10-0.13284121E+05 0.32542160E+02 4 A1 C 6H 6 0 0 298.000 5000.000 1000.00 1 0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2 0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3 0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4 A1- C 6H 5 0 0 298.000 5000.000 1000.00 1 0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2 0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3 0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4 A1C2H C 8H 6 0 0 298.000 5000.000 1000.00 1 0.24090759E+02 0.78232400E-03 0.11453964E-04-0.61620504E-08 0.93346685E-12 2 0.27429445E+05-0.10499631E+03-0.52645016E+01 0.84511042E-01-0.76597848E-04 3 0.33216978E-07-0.47673063E-11 0.35566242E+05 0.46378815E+02 4 A1C2H- C 8H 5 0 0 298.000 5000.000 1000.00 1 0.12359501E+02 0.25453357E-01-0.10606554E-04 0.18914603E-08-0.10630622E-12 2 0.60930461E+05-0.40900208E+02-0.44495859E+01 0.76995067E-01-0.66617038E-04 3 0.25038682E-07-0.19756601E-11 0.65225926E+05 0.44427948E+02 4 A1C2H* C 8H 5 0 0 298.000 5000.000 1000.00 1 0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2 0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3 -0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4 N-A1C2H2 C 8H 7 0 0 298.000 5000.000 1000.00 1 0.30433151E+02-0.13965182E-01 0.25416972E-04-0.11354174E-07 0.16092050E-11 2 0.35738719E+05-0.13416492E+03-0.44899931E+01 0.78750789E-01-0.62376959E-04 3 0.21952140E-07-0.16960955E-11 0.45902949E+05 0.47980759E+02 4 I-A1C2H2 C 8H 7 0 0 298.000 5000.000 1000.00 1 0.24365524E+02 0.11262144E-02 0.12931670E-04-0.69641146E-08 0.10540145E-11 2 0.33549121E+05-0.10462067E+03-0.25971584E+01 0.63454390E-01-0.20852312E-04 3 -0.22604624E-07 0.15112869E-10 0.41707375E+05 0.37893417E+02 4 CO C 1O 1 0 0 298.000 5000.000 1000.00 1 0.30250780E+01 0.14426885E-02-0.56308270E-06 0.10185813E-09-0.69109510E-14 2 -0.14268350E+05 0.61082170E+01 0.32624510E+01 0.15119409E-02-0.38817550E-05 3 0.55819440E-08-0.24749510E-11-0.14310539E+05 0.48488970E+01 4 CO2 C 1O 2 0 0 298.000 5000.000 1000.00 1 0.44536230E+01 0.31401680E-02-0.12784105E-05 0.23939960E-09-0.16690333E-13 2 -0.48966960E+05-0.95539590E+00 0.22757240E+01 0.99220720E-02-0.10409113E-04 3 0.68666860E-08-0.21172800E-11-0.48373140E+05 0.10188488E+02 4 H2 H 2 0 0 0 298.000 5000.000 1000.00 1 0.29914230E+01 0.70006440E-03-0.56338280E-07-0.92315780E-11 0.15827519E-14 2 -0.83503400E+03-0.13551101E+01 0.32981240E+01 0.82494410E-03-0.81430150E-06 3 -0.94754340E-10 0.41348720E-12-0.10125209E+04-0.32940940E+01 4 H2O H 2O 1 0 0 298.000 5000.000 1000.00 1 0.26721450E+01 0.30562930E-02-0.87302600E-06 0.12009964E-09-0.63916180E-14 2 -0.29899210E+05 0.68628170E+01 0.33868420E+01 0.34749820E-02-0.63546960E-05 3 0.69685810E-08-0.25065880E-11-0.30208110E+05 0.25902320E+01 4 O2 O 2 0 0 0 298.000 5000.000 1000.00 1 0.36975780E+01 0.61351970E-03-0.12588420E-06 0.17752810E-10-0.11364354E-14 2 -0.12339301E+04 0.31891650E+01 0.32129360E+01 0.11274864E-02-0.57561500E-06 3 0.13138773E-08-0.87685540E-12-0.10052490E+04 0.60347370E+01 4 AR AR 1 0 0 0 298.000 5000.000 1000.00 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.74537500E+03 0.43660000E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.74537500E+03 0.43660000E+01 4 N2 N 2 0 0 0 298.000 5000.000 1000.00 1 0.29266400E+01 0.14879768E-02-0.56847600E-06 0.10097038E-09-0.67533510E-14 2 -0.92279770E+03 0.59805280E+01 0.32986770E+01 0.14082404E-02-0.39632220E-05 3 0.56415150E-08-0.24448540E-11-0.10208999E+04 0.39503720E+01 4 HOCH2O C 1H 3O 2 0 298.000 5000.000 1452.00 1 0.63952152E+01 0.74367304E-02-0.25042235E-05 0.38487971E-09-0.22177869E-13 2 -0.22555776E+05-0.66386558E+01 0.41118315E+01 0.75385070E-02 0.37733737E-05 3 -0.53874600E-08 0.14561589E-11-0.21247192E+05 0.74680725E+01 4 HOCHO C 1H 2O 2 0 298.000 5000.000 1376.00 1 0.66873301E+01 0.51428937E-02-0.18223851E-05 0.28971916E-09-0.17089220E-13 2 -0.48399540E+05-0.11310480E+02 0.14354818E+01 0.16336302E-01-0.10625742E-04 3 0.33213298E-08-0.40217610E-12-0.46461650E+05 0.17288580E+02 4 OCHO C 1H 1O 2 0 298.000 5000.000 1690.00 1 0.61262878E+01 0.37560293E-02-0.14201035E-05 0.23642920E-09-0.14416765E-13 2 -0.21769847E+05-0.80157469E+01 0.13521345E+01 0.15008200E-01-0.10989614E-04 3 0.37367984E-08-0.48101450E-12-0.20225365E+05 0.17437315E+02 4 O2CHO C 1H 1O 3 0 298.000 5000.000 1368.00 1 0.72407514E+01 0.46331295E-02-0.16369400E-05 0.25970669E-09-0.15296470E-13 2 -0.18702762E+05-0.64954721E+01 0.39605931E+01 0.10600228E-01-0.52571335E-05 3 0.10171673E-08-0.28748760E-13-0.17359938E+05 0.11780748E+02 4 HO2CHO C 1H 2O 3 0 298.000 5000.000 1378.00 1 0.98750388E+01 0.46466371E-02-0.16723052E-05 0.26862441E-09-0.15959523E-13 2 -0.38050250E+05-0.22493915E+02 0.24246473E+01 0.21970638E-01-0.16870555E-04 3 0.62561219E-08-0.91164584E-12-0.35482801E+05 0.17502780E+02 4 C5H11-1 C 5H 11 0 0 298.000 5000.000 1397.00 1 0.15323474E+02 0.23904120E-01-0.81477162E-05 0.12617624E-08-0.73067734E-13 2 -0.92324164E+03-0.54952886E+02-0.90525591E+00 0.61063285E-01-0.40949182E-04 3 0.14609347E-07-0.21885961E-11 0.48399530E+04 0.32557496E+02 4 C5H11-2 C 5H 11 0 0 298.000 5000.000 1377.00 1 0.15099801E+02 0.23722533E-01-0.80138890E-05 0.12343104E-08-0.71230012E-13 2 -0.23342004E+04-0.52961398E+02 0.49894360E+00 0.50985018E-01-0.24068749E-04 3 0.35946521E-08 0.30138310E-12 0.34070237E+04 0.27860095E+02 4 L-C7H14 C 7H 14 0 0 298.000 5000.000 1392.00 1 0.21089804E+02 0.31060788E-01-0.10564479E-04 0.16340578E-08-0.94559822E-13 2 -0.18326006E+05-0.84439111E+02-0.16772055E+01 0.82461160E-01-0.54650411E-04 3 0.18786230E-07-0.26573798E-11-0.10216860E+05 0.38506803E+02 4 L-C7H15 C 7H 15 0 0 298.000 5000.000 1382.00 1 0.21636884E+02 0.32332480E-01-0.10927381E-04 0.16835706E-08-0.97177409E-13 2 -0.10587362E+05-0.85220965E+02-0.37915577E-01 0.75672657E-01-0.40747363E-04 3 0.93267894E-08-0.49236075E-12-0.23560530E+04 0.33732151E+02 4 N-C7H16 C 7H 16 0 0 298.000 5000.000 1391.00 1 0.22214897E+02 0.34767575E-01-0.11840713E-04 0.18329848E-08-0.10613027E-12 2 -0.34276008E+05-0.92304020E+02-0.12683619E+01 0.85435582E-01-0.52534679E-04 3 0.16294572E-07-0.20239493E-11-0.25658657E+05 0.35373291E+02 4 L-C7H15O2 C 7H 15O 2 0 298.000 5000.000 1392.00 1 0.25262202E+02 0.34665205E-01-0.11881259E-04 0.18468732E-08-0.10723417E-12 2 -0.29337518E+05-0.99492901E+02 0.15137817E+01 0.88557275E-01-0.59245715E-04 3 0.21180186E-07-0.32074172E-11-0.20814251E+05 0.28808225E+02 4 R5-HEOOH-P C 7H 15O 2 0 298.000 5000.000 1383.00 1 0.27229022E+02 0.32492190E-01-0.11125976E-04 0.17292888E-08-0.10042833E-12 2 -0.22497707E+05-0.10890178E+03 0.11114621E+01 0.89159539E-01-0.56735238E-04 3 0.17889009E-07-0.22226021E-11-0.12986831E+05 0.32920005E+02 4 R5-HEOOH-S C 7H 15O 2 0 298.000 5000.000 1389.00 1 0.27403478E+02 0.32752789E-01-0.11299177E-04 0.17644465E-08-0.10278694E-12 2 -0.24863665E+05-0.11020198E+03 0.84978601E+00 0.92510720E-01-0.62535983E-04 3 0.21788039E-07-0.31272040E-11-0.15364068E+05 0.33299749E+02 4 R6-HEOOH-P C 7H 15O 2 0 298.000 5000.000 1383.00 1 0.27229022E+02 0.32492190E-01-0.11125976E-04 0.17292888E-08-0.10042833E-12 2 -0.22497707E+05-0.10890178E+03 0.11114621E+01 0.89159539E-01-0.56735238E-04 3 0.17889009E-07-0.22226021E-11-0.12986831E+05 0.32920005E+02 4 R6-HEOOH-S C 7H 15O 2 0 298.000 5000.000 1389.00 1 0.27403478E+02 0.32752789E-01-0.11299177E-04 0.17644465E-08-0.10278694E-12 2 -0.24863665E+05-0.11020198E+03 0.84978601E+00 0.92510720E-01-0.62535983E-04 3 0.21788039E-07-0.31272040E-11-0.15364068E+05 0.33299749E+02 4 R7-HEOOH-P C 7H 15O 2 0 298.000 5000.000 1383.00 1 0.27229022E+02 0.32492190E-01-0.11125976E-04 0.17292888E-08-0.10042833E-12 2 -0.22497707E+05-0.10890178E+03 0.11114621E+01 0.89159539E-01-0.56735238E-04 3 0.17889009E-07-0.22226021E-11-0.12986831E+05 0.32920005E+02 4 R7-HEOOH-S C 7H 15O 2 0 298.000 5000.000 1389.00 1 0.27403478E+02 0.32752789E-01-0.11299177E-04 0.17644465E-08-0.10278694E-12 2 -0.24863665E+05-0.11020198E+03 0.84978601E+00 0.92510720E-01-0.62535983E-04 3 0.21788039E-07-0.31272040E-11-0.15364068E+05 0.33299749E+02 4 R5-HEOOHO2-P C 7H 15O 4 0 298.000 5000.000 1388.00 1 0.32014435E+02 0.34005600E-01-0.11841586E-04 0.18606035E-08-0.10885101E-12 2 -0.42717186E+05-0.13111824E+03 0.18971800E+01 0.10622980E+00-0.80277022E-04 3 0.32364909E-07-0.54585047E-11-0.32279023E+05 0.30247461E+02 4 R5-HEOOHO2-S C 7H 15O 4 0 298.000 5000.000 1390.00 1 0.32835830E+02 0.33276728E-01-0.11583328E-04 0.18195864E-08-0.10643442E-12 2 -0.45287300E+05-0.13597571E+03 0.14091248E+01 0.11072083E+00-0.87117807E-04 3 0.36366275E-07-0.62835069E-11-0.34630479E+05 0.31622338E+02 4 R6-HEOOHO2-P C 7H 15O 4 0 298.000 5000.000 1388.00 1 0.32014435E+02 0.34005600E-01-0.11841586E-04 0.18606035E-08-0.10885101E-12 2 -0.42717186E+05-0.13111824E+03 0.18971800E+01 0.10622980E+00-0.80277022E-04 3 0.32364909E-07-0.54585047E-11-0.32279023E+05 0.30247461E+02 4 R6-HEOOHO2-S C 7H 15O 4 0 298.000 5000.000 1390.00 1 0.32835830E+02 0.33276728E-01-0.11583328E-04 0.18195864E-08-0.10643442E-12 2 -0.45287300E+05-0.13597571E+03 0.14091248E+01 0.11072083E+00-0.87117807E-04 3 0.36366275E-07-0.62835069E-11-0.34630479E+05 0.31622338E+02 4 R7-HEOOHO2-P C 7H 15O 4 0 298.000 5000.000 1388.00 1 0.32014435E+02 0.34005600E-01-0.11841586E-04 0.18606035E-08-0.10885101E-12 2 -0.42717186E+05-0.13111824E+03 0.18971800E+01 0.10622980E+00-0.80277022E-04 3 0.32364909E-07-0.54585047E-11-0.32279023E+05 0.30247461E+02 4 R7-HEOOHO2-S C 7H 15O 4 0 298.000 5000.000 1390.00 1 0.32835830E+02 0.33276728E-01-0.11583328E-04 0.18195864E-08-0.10643442E-12 2 -0.45287300E+05-0.13597571E+03 0.14091248E+01 0.11072083E+00-0.87117807E-04 3 0.36366275E-07-0.62835069E-11-0.34630479E+05 0.31622338E+02 4 R5-O-HEPOOH-P C 7H 14O 3 0 298.000 5000.000 1387.00 1 0.31403986E+02 0.28548520E-01-0.96958569E-05 0.15001701E-08-0.86890949E-13 2 -0.57404472E+05-0.13157661E+03-0.10124054E+01 0.10852521E+00-0.85999088E-04 3 0.34927296E-07-0.57378985E-11-0.46631495E+05 0.40917509E+02 4 R5-O-HEPOOH-S C 7H 14O 3 0 298.000 5000.000 1388.00 1 0.30598161E+02 0.29725886E-01-0.10197258E-04 0.15873241E-08-0.92294242E-13 2 -0.60963892E+05-0.12783788E+03-0.14557067E+01 0.10877238E+00-0.85975743E-04 3 0.35109532E-07-0.58343650E-11-0.50260203E+05 0.42818543E+02 4 R6-O-HEPOOH-P C 7H 14O 3 0 298.000 5000.000 1388.00 1 0.29074451E+02 0.31717746E-01-0.11026265E-04 0.17305361E-08-0.10116170E-12 2 -0.58234548E+05-0.11806432E+03 0.22162933E+01 0.94737376E-01-0.69047365E-04 3 0.26782040E-07-0.43639218E-11-0.48796551E+05 0.26315713E+02 4 R6-O-HEPOOH-S C 7H 14O 3 0 298.000 5000.000 1387.00 1 0.28833039E+02 0.32016810E-01-0.11150846E-04 0.17522616E-08-0.10252045E-12 2 -0.62014247E+05-0.11749970E+03 0.15293669E+01 0.95817347E-01-0.69668852E-04 3 0.26954038E-07-0.43872813E-11-0.52383954E+05 0.29385133E+02 4 R7-O-HEPOOH-P C 7H 14O 3 0 298.000 5000.000 1388.00 1 0.29074451E+02 0.31717746E-01-0.11026265E-04 0.17305361E-08-0.10116170E-12 2 -0.58234548E+05-0.11806432E+03 0.22162933E+01 0.94737376E-01-0.69047365E-04 3 0.26782040E-07-0.43639218E-11-0.48796551E+05 0.26315713E+02 4 R7-O-HEPOOH-S C 7H 14O 3 0 298.000 5000.000 1387.00 1 0.28833039E+02 0.32016810E-01-0.11150846E-04 0.17522616E-08-0.10252045E-12 2 -0.62014247E+05-0.11749970E+03 0.15293669E+01 0.95817347E-01-0.69668852E-04 3 0.26954038E-07-0.43872813E-11-0.52383954E+05 0.29385133E+02 4 C5H10-1 C 5H 10 0 0 298.000 5000.000 1392.00 1 0.14585154E+02 0.22407247E-01-0.76334802E-05 0.11818897E-08-0.68438514E-13 2 -0.10089820E+05-0.52368394E+02-0.10622348E+01 0.57421829E-01-0.37448689E-04 3 0.12736499E-07-0.17960979E-11-0.44654667E+04 0.32273979E+02 4 R5-C7H14O C 7H 14O 1 0 298.000 5000.000 1400.00 1 0.23657656E+02 0.32666181E-01-0.11203372E-04 0.17425816E-08-0.10123286E-12 2 -0.46113981E+05-0.10244073E+03-0.73246504E+01 0.10908908E+00-0.84272507E-04 3 0.33851464E-07-0.55420487E-11-0.35784259E+05 0.62474275E+02 4 N-C5H11CHO C 6H 12O 1 0 298.000 5000.000 1384.00 1 0.19889104E+02 0.27186934E-01-0.92739151E-05 0.14374416E-08-0.83309076E-13 2 -0.39752344E+05-0.76074167E+02 0.13751719E+01 0.66566969E-01-0.40442305E-04 3 0.12383627E-07-0.15290586E-11-0.32874099E+05 0.24834393E+02 4 N-C5H11CO C 6H 11O 1 0 298.000 5000.000 1383.00 1 0.19478381E+02 0.25046603E-01-0.85486135E-05 0.13255794E-08-0.76850330E-13 2 -0.20792394E+05-0.72199558E+02 0.21447907E+01 0.61786356E-01-0.37413469E-04 3 0.11328380E-07-0.13691770E-11-0.14345117E+05 0.22312804E+02 4 N-C4H9COCH2 C 6H 11O 1 0 298.000 5000.000 1387.00 1 0.19857587E+02 0.25240637E-01-0.87252262E-05 0.13642205E-08-0.79537488E-13 2 -0.22053196E+05-0.77114100E+02 0.65724068E+00 0.69182022E-01-0.47995618E-04 3 0.17811486E-07-0.28045639E-11-0.15180666E+05 0.26518022E+02 4 N-C3H7CHO C 4H 8O 1 0 298.000 5000.000 1378.00 1 0.13598807E+02 0.18165247E-01-0.61784446E-05 0.95598021E-09-0.55344296E-13 2 -0.31584535E+05-0.45179023E+02 0.18741596E+01 0.41924032E-01-0.23514878E-04 3 0.62691367E-08-0.60944391E-12-0.27103219E+05 0.19156857E+02 4 N-C3H7CO C 4H 7O 1 0 298.000 5000.000 1380.00 1 0.13002633E+02 0.16310488E-01-0.55764290E-05 0.86567063E-09-0.50225567E-13 2 -0.12552338E+05-0.40260852E+02 0.26725683E+01 0.37119882E-01-0.20686286E-04 3 0.54887389E-08-0.53586418E-12-0.85805089E+04 0.16484895E+02 4 N-C3H7COCH2 C 5H 9O 1 0 298.000 5000.000 1389.00 1 0.16150242E+02 0.21409347E-01-0.73605961E-05 0.11465682E-08-0.66671272E-13 2 -0.17696856E+05-0.58386488E+02 0.95829927E+00 0.56816253E-01-0.39911278E-04 3 0.15267151E-07-0.24922105E-11-0.12306224E+05 0.23411288E+02 4 C2H5CHO C 3H 6O 1 0 298.000 5000.000 1378.00 1 0.10242769E+02 0.13964199E-01-0.47624800E-05 0.73810571E-09-0.42775950E-13 2 -0.27414314E+05-0.28534684E+02 0.21630844E+01 0.29550126E-01-0.15244625E-04 3 0.34950395E-08-0.23889663E-12-0.24226014E+05 0.16115335E+02 4 C2H5CO C 3H 5O 1 0 298.000 5000.000 1373.00 1 0.98788200E+01 0.11751568E-01-0.40061492E-05 0.62085062E-09-0.35983523E-13 2 -0.84729228E+04-0.24923520E+02 0.29331395E+01 0.24742791E-01-0.12122200E-04 3 0.23470105E-08-0.52684334E-13-0.56966306E+04 0.13595835E+02 4 C2H5COCH2 C 4H 7O 1 0 298.000 5000.000 1380.00 1 0.12469437E+02 0.17102214E-01-0.59215673E-05 0.92681681E-09-0.54073050E-13 2 -0.13258106E+05-0.36908119E+02 0.24025561E+01 0.36729427E-01-0.19731651E-04 3 0.50732322E-08-0.49965528E-12-0.92703507E+04 0.18709857E+02 4 C2H5COCH3 C 4H 8O 1 0 298.000 5000.000 1466.00 1 0.18145072E+02 0.15752270E-01-0.56727253E-05 0.91156927E-09-0.54171947E-13 2 -0.35044716E+05-0.53909152E+02 0.26522958E+01 0.36606112E-01-0.47575478E-05 3 -0.96446883E-08 0.34560490E-11-0.28266753E+05 0.34515648E+02 4 CH2CH2COCH3 C 4H 7O 1 0 298.000 5000.000 1380.00 1 0.12469437E+02 0.17102214E-01-0.59215673E-05 0.92681681E-09-0.54073050E-13 2 -0.10137824E+05-0.36218637E+02 0.24025561E+01 0.36729427E-01-0.19731651E-04 3 0.50732322E-08-0.49965528E-12-0.61500689E+04 0.19399339E+02 4 C2H4COC2H5-1 C 5H 9O 1 0 298.000 5000.000 1376.00 1 0.16200083E+02 0.20510665E-01-0.69697798E-05 0.10782623E-08-0.62432441E-13 2 -0.14506722E+05-0.55227261E+02 0.23944946E+01 0.49873184E-01-0.30739439E-04 3 0.99508026E-08-0.13757083E-11-0.93212395E+04 0.20116281E+02 4 CH2CH2CHO C 3H 5O 1 0 298.000 5000.000 1371.00 1 0.99766973E+01 0.11589938E-01-0.39359325E-05 0.60860151E-09-0.35224687E-13 2 -0.24111582E+04-0.23601442E+02 0.29520275E+01 0.24829705E-01-0.12348715E-04 3 0.24944987E-08-0.84482069E-13 0.38518194E+03 0.15318139E+02 4 CH3COCH2 C 3H 5O 1 0 298.000 5000.000 1391.00 1 0.10230398E+02 0.11649416E-01-0.40100554E-05 0.62520525E-09-0.36378436E-13 2 -0.84438046E+04-0.27919722E+02 0.18033919E+01 0.30140708E-01-0.19350555E-04 3 0.63819903E-08-0.86610318E-12-0.53723326E+04 0.17804641E+02 4 N-C3H7COC2H4-1 C 6H 11O 1 0 298.000 5000.000 1380.00 1 0.19239115E+02 0.25165915E-01-0.85750808E-05 0.13284726E-08-0.76977481E-13 2 -0.18540489E+05-0.70061703E+02 0.20895870E+01 0.62487811E-01-0.39725708E-04 3 0.13375294E-07-0.19219379E-11-0.12199256E+05 0.23203521E+02 4 CH3CHCOCH3 C 4H 7O 1 0 298.000 5000.000 1685.00 1 0.10761364E+02 0.18733335E-01-0.65936844E-05 0.10487072E-08-0.62009674E-13 2 -0.15182352E+05-0.26349154E+02 0.24979807E+01 0.33507170E-01-0.13816370E-04 3 0.11080278E-08 0.38365009E-12-0.12043907E+05 0.19410590E+02 4 C2H5O2 C 2H 5O 2 0 298.000 5000.000 1388.00 1 0.95109271E+01 0.12267690E-01-0.42236445E-05 0.65847499E-09-0.38309521E-13 2 -0.67603595E+04-0.22341060E+02 0.17795051E+01 0.30493809E-01-0.21637621E-04 3 0.86890630E-08-0.15178846E-11-0.39910197E+04 0.19291950E+02 4 C2H4O2H C 2H 5O 2 0 298.000 5000.000 1396.00 1 0.11626043E+02 0.10082635E-01-0.34793436E-05 0.54339422E-09-0.31656929E-13 2 -0.91081520E+03-0.31853571E+02 0.81323780E+00 0.39006340E-01-0.34064386E-04 3 0.15506623E-07-0.28406984E-11 0.25078579E+04 0.24968446E+02 4 N-C3H7O2 C 3H 7O 2 0 298.000 5000.000 1388.00 1 0.12723278E+02 0.16733681E-01-0.57594318E-05 0.89776949E-09-0.52227506E-13 2 -0.10881907E+05-0.38197823E+02 0.15630171E+01 0.42619270E-01-0.29661508E-04 3 0.11418733E-07-0.18989447E-11-0.68808638E+04 0.21984293E+02 4 I-C3H7O2 C 3H 7O 2 0 298.000 5000.000 1392.00 1 0.13261316E+02 0.16250108E-01-0.55863180E-05 0.87005747E-09-0.50584947E-13 2 -0.13194058E+05-0.42104166E+02 0.10349545E+01 0.46994237E-01-0.36652552E-04 3 0.15708417E-07-0.28195612E-11-0.90634482E+04 0.22956692E+02 4 A1C2HAC C 10H 7 0 0 298.000 5000.000 1000.00 1 0.12199872E+02 0.42421655E-01-0.21813356E-04 0.53991676E-08-0.52237116E-12 2 0.66733702E+05-0.35532629E+02-0.28746143E+01 0.93598638E-01-0.87162691E-04 3 0.42123740E-07-0.80150644E-11 0.70320206E+05 0.39727566E+02 4 A2-X C 10H 7 0 0 298.000 5000.000 1000.00 1 0.91471757E+01 0.48058236E-01-0.25314721E-04 0.63829205E-08-0.62650989E-12 2 0.44001131E+05-0.25924417E+02-0.60205656E+01 0.90400321E-01-0.61629413E-04 3 0.11376390E-07 0.35024449E-11 0.48027668E+05 0.51969161E+02 4 A2 C 10H 8 0 0 298.000 5000.000 1000.00 1 0.88073940E+01 0.51665228E-01-0.27048343E-04 0.67886183E-08-0.66399416E-12 2 0.12532799E+05-0.27077850E+02-0.70329820E+01 0.95826612E-01-0.64412245E-04 3 0.11022813E-07 0.41266859E-11 0.16730432E+05 0.54255089E+02 4 A2R5 C 12H 8 0 0 298.000 5000.000 1000.00 1 0.11624107E+02 0.55962232E-01-0.29406287E-04 0.73843207E-08-0.72157944E-12 2 0.24247657E+05-0.40911421E+02-0.85554173E+01 0.11897358E+00-0.10044479E-03 3 0.40630592E-07-0.57849302E-11 0.29302108E+05 0.61175441E+02 4 A2R5- C 12H 7 0 0 298.000 5000.000 1000.00 1 0.11963889E+02 0.52355240E-01-0.27672665E-04 0.69786229E-08-0.68409517E-12 2 0.55716389E+05-0.40451134E+02-0.75430009E+01 0.11354729E+00-0.97661957E-04 3 0.40984169E-07-0.64091711E-11 0.60600644E+05 0.58196365E+02 4 A2R5C2H C 14H 8 0 0 298.000 5000.000 1000.00 1 0.15838823E+02 0.57882537E-01-0.30329590E-04 0.76002067E-08-0.74143048E-12 2 0.50709735E+05-0.60731531E+02-0.89745075E+01 0.14475950E+00-0.14821649E-03 3 0.81806727E-07-0.19151330E-10 0.56510567E+05 0.62606338E+02 4 A2R5C2H* C 14H 7 0 0 298.000 5000.000 1000.00 1 0.16178605E+02 0.54275545E-01-0.28595968E-04 0.71945089E-08-0.70394621E-12 2 0.82178467E+05-0.60964392E+02-0.79620911E+01 0.13933321E+00-0.14543365E-03 3 0.82160303E-07-0.19775571E-10 0.87809103E+05 0.58934114E+02 4 ANC2HAC C 16H 9 0 0 298.000 5000.000 1000.00 1 0.18946456E+02 0.64164272E-01-0.33538325E-04 0.83877340E-08-0.81691688E-12 2 0.84325142E+05-0.71633352E+02-0.62755565E+01 0.15162717E+00-0.15126007E-03 3 0.82083428E-07-0.19060792E-10 0.90281139E+05 0.53987846E+02 4 A3R5- C 16H 9 0 0 298.000 5000.000 1000.00 1 0.15893759E+02 0.69800852E-01-0.37039690E-04 0.93714868E-08-0.92105562E-12 2 0.60485319E+05-0.62025139E+02-0.94215078E+01 0.14842886E+00-0.12572679E-03 3 0.51336078E-07-0.75432832E-11 0.66882250E+05 0.66229440E+02 4 A3R5 C 16H 10 0 0 298.000 5000.000 1000.00 1 0.15553978E+02 0.73407844E-01-0.38773311E-04 0.97771846E-08-0.95853989E-12 2 0.29017588E+05-0.61792278E+02-0.10433924E+02 0.15385515E+00-0.12850962E-03 3 0.50982502E-07-0.69190423E-11 0.35584714E+05 0.69901663E+02 4 N N 1 0 0 0 298.000 5000.000 1000.00 1 0.24159429E+01 0.17489065E-03-0.11902369E-06 0.30226245E-10-0.20360982E-14 2 0.56133773E+05 0.46496096E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.56104637E+05 0.41939087E+01 4 NO O 1N 1 0 0 298.000 5000.000 1000.00 1 0.32606056E+01 0.11911043E-02-0.42917048E-06 0.69457669E-10-0.40336099E-14 2 0.99209746E+04 0.63693027E+01 0.42184763E+01-0.46389760E-02 0.11041022E-04 3 -0.93361354E-08 0.28035770E-11 0.98446230E+04 0.22808464E+01 4 NO2 O 2N 1 0 0 298.000 5000.000 1000.00 1 0.48847542E+01 0.21723956E-02-0.82806906E-06 0.15747510E-09-0.10510895E-13 2 0.23164983E+04-0.11741695E+00 0.39440312E+01-0.15854290E-02 0.16657812E-04 3 -0.20475426E-07 0.78350564E-11 0.28966179E+04 0.63119917E+01 4 END