!VERSION: NUIGMech_C5_July2015 THERMO 300.000 1000.000 5000.000 H L 6/94H 1 0 0 0G 200.000 6000.00 1000.00 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.25473660E+05-0.44668285E+00 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.25473660E+05-0.44668285E+00 0.26219035E+05 4 H2 TPIS78H 2 0 0 0G 200.000 6000.00 1000.00 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 0.00000000E+00 4 O L 1/90O 1 0 0 0G 200.000 6000.00 1000.00 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 2.99687009E+04 4 O2 RUS 89O 2 0 0 0G 200.000 6000.00 1000.00 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 0.00000000E+00 4 OH IU3/03O 1 H 1 0 0G 200.000 6000.00 1000.00 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 4.48613328E+03 4 OH* 121286O 1H 1 G 0300.00 5000.00 1000.00 1 0.02882730E+02 0.10139743E-02-0.02276877E-05 0.02174683E-09-0.05126305E-14 2 5.02650000E+04 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.16761646E-05 3 0.02387202E-07-0.08431442E-11 5.00213000E+04 0.13588605E+01 4 H2O L 5/89H 2 O 1 0 0G 200.000 6000.00 1000.00 1 0.26770389E+01 0.29731816E-02-0.77376889E-06 0.94433514E-10-0.42689991E-14 2 -0.29885894E+05 0.68825500E+01 0.41986352E+01-0.20364017E-02 0.65203416E-05 3 -0.54879269E-08 0.17719680E-11-0.30293726E+05-0.84900901E+00-0.29084817E+05 4 N2 G 8/02N 2 0 0 0G 200.000 6000.00 1000.00 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 0.00000000E+00 4 HO2 T 1/09H 1O 2 0 0G 200.000 5000.00 1000.00 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 1.47886045E+03 4 H2O2 T 8/03H 2O 2 0 0G 200.000 6000.00 1000.00 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+00-1.63425145E+04 4 AR G 5/97AR 1 0 0 0G 200.000 6000.00 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 4.37967491E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967491E+00 0.00000000E+00 4 CH2O T 5/11H 2C 1O 1 0G 200.000 6000.00 1000.00 1 3.16952665E+00 6.19320560E-03-2.25056366E-06 3.65975660E-10-2.20149458E-14 2 -1.45486831E+04 6.04207898E+00 4.79372312E+00-9.90833322E-03 3.73219990E-05 3 -3.79285237E-08 1.31772641E-11-1.43791953E+04 6.02798058E-01-1.31293365E+04 4 CO RUS 79C 1O 1 0 0G 200.000 6000.00 1000.00 1 0.30484859E+01 0.13517281E-02-0.48579405E-06 0.78853644E-10-0.46980746E-14 2 -0.14266117E+05 0.60170977E+01 0.35795335E+01-0.61035369E-03 0.10168143E-05 3 0.90700586E-09-0.90442449E-12-0.14344086E+05 0.35084093E+01-0.13293628E+05 4 CO2 L 7/88C 1O 2 0 0G 200.000 6000.00 1000.00 1 0.46365111E+01 0.27414569E-02-0.99589759E-06 0.16038666E-09-0.91619857E-14 2 -0.49024904E+05-0.19348955E+01 0.23568130E+01 0.89841299E-02-0.71220632E-05 3 0.24573008E-08-0.14288548E-12-0.48371971E+05 0.99009035E+01-0.47328105E+05 4 HCO T 5/03C 1 H 1 O 1 0 G 200.000 6000.00 1000.00 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 5.08749163E+03 4 HO2CHO 6/26/95 THERMC 1H 2O 3 0G 300.000 5000.000 1378.00 21 9.87503878E+00 4.64663708E-03-1.67230522E-06 2.68624413E-10-1.59595232E-14 2 -3.80502496E+04-2.24939155E+01 2.42464726E+00 2.19706380E-02-1.68705546E-05 3 6.25612194E-09-9.11645843E-13-3.54828006E+04 1.75027796E+01 4 O2CHO 6/26/95 THERMC 1H 1O 3 0G 300.000 5000.000 1368.00 11 7.24075139E+00 4.63312951E-03-1.63693995E-06 2.59706693E-10-1.52964699E-14 2 -1.87027618E+04-6.49547212E+00 3.96059309E+00 1.06002279E-02-5.25713351E-06 3 1.01716726E-09-2.87487602E-14-1.73599383E+04 1.17807483E+01 4 HOCHO L 8/88H 2C 1O 2 0G 200.000 6000.00 1000.00 1 0.46138316E+01 0.64496364E-02-0.22908251E-05 0.36716047E-09-0.21873675E-13 2 -0.47514850E+05 0.84788383E+00 0.38983616E+01-0.35587795E-02 0.35520538E-04 3 -0.43849959E-07 0.17107769E-10-0.46770609E+05 0.73495397E+01-0.45531246E+05 4 HOCO T05/06H 1 C 1 O 2 0 G 200.000 6000.00 1000.00 1 5.39206152E+00 4.11221455E-03-1.48194900E-06 2.39875460E-10-1.43903104E-14 2 -2.38606717E+04-2.23529091E+00 2.92207919E+00 7.62453859E-03 3.29884437E-06 3 -1.07135205E-08 5.11587057E-12-2.30281524E+04 1.12925886E+01-2.18076591E+04 4 OCHO ATCT/AC 1 O 2 H 1 0 G 200.000 6000.000 1000.00 1 4.14394211E+00 5.59738818E-03-1.99794019E-06 3.16179193E-10-1.85614483E-14 2 -1.72459887E+04 5.07778617E+00 4.68825921E+00-4.14871834E-03 2.55066010E-05 3 -2.84473900E-08 1.04422559E-11-1.69867041E+04 4.28426480E+00-1.55992356E+04 4 HOCH2O2H 9/ 1/12 C 1H 4O 3 0G 300.000 5000.000 1398.000 21 1.24531886E+01 7.18221110E-03-2.47029548E-06 3.85611737E-10-2.24774193E-14 2 -4.24862928E+04-3.58745197E+01 5.35189713E-01 3.73266553E-02-3.15299511E-05 3 1.30352583E-08-2.11473264E-12-3.86609415E+04 2.71776082E+01 4 HOCH2O2 9/ 1/12 C 1H 3O 3 0G 300.000 5000.000 1377.000 21 1.16406115E+01 5.72826040E-03-2.05362036E-06 3.29070695E-10-1.95188360E-14 2 -2.53505769E+04-3.07332064E+01 2.82068616E+00 2.47857094E-02-1.66186399E-05 3 4.79633095E-09-4.28087766E-13-2.22077036E+04 1.70599803E+01 4 OCH2O2H 7/21/14 THERMC 1H 3O 3 0G 300.000 5000.000 1418.000 31!UPDATED 0722 1.29622491E+01 4.21948855E-03-1.54275194E-06 2.50413077E-10-1.49855537E-14 2 -1.81326406E+04-3.87016356E+01 4.46349361E-01 3.63049606E-02-3.26130978E-05 3 1.37050551E-08-2.20872791E-12-1.41972598E+04 2.72960376E+01 4 HOCH2O 2/16/99 THERMC 1H 3O 2 0G 300.000 5000.000 1452.000 11 6.39521515E+00 7.43673043E-03-2.50422354E-06 3.84879712E-10-2.21778689E-14 2 -2.41108840E+04-6.63865583E+00 4.11183145E+00 7.53850697E-03 3.77337370E-06 3 -5.38746005E-09 1.45615887E-12-2.28023001E+04 7.46807254E+00 4 CH3OH T06/02C 1H 4 O 1 0 G 200.000 6000.00 1000.00 1 3.52726795E+00 1.03178783E-02-3.62892944E-06 5.77448016E-10-3.42182632E-14 2 -2.60028834E+04 5.16758693E+00 5.65851051E+00-1.62983419E-02 6.91938156E-05 3 -7.58372926E-08 2.80427550E-11-2.56119736E+04-8.97330508E-01-2.41746056E+04 4 CH2OH IU2/03C 1 H 3 O 1 0 G 200.000 6000.00 1000.00 1 5.09314370E+00 5.94761260E-03-2.06497460E-06 3.23008173E-10-1.88125902E-14 2 -4.03409640E+03-1.84691493E+00 4.47834367E+00-1.35070310E-03 2.78484980E-05 3 -3.64869060E-08 1.47907450E-11-3.50072890E+03 3.30913500E+00-2.04462770E+03 4 CH3O IU1/03C 1 H 3 O 1 0 G 200.000 6000.00 1000.00 1 4.75779238E+00 7.44142474E-03-2.69705176E-06 4.38090504E-10-2.63537098E-14 2 3.78111940E+02-1.96680028E+00 3.71180502E+00-2.80463306E-03 3.76550971E-05 3 -4.73072089E-08 1.86588420E-11 1.29569760E+03 6.57240864E+00 2.52571660E+03 4 CH3O2H A 7/05C 1 H 4 O 2 0 G 200.000 6000.00 1000.00 1 7.76538058E+00 8.61499712E-03-2.98006935E-06 4.68638071E-10-2.75339255E-14 2 -1.82979984E+04-1.43992663E+01 2.90540897E+00 1.74994735E-02 5.28243630E-06 3 -2.52827275E-08 1.34368212E-11-1.68894632E+04 1.13741987E+01-1.52423685E+04 4 CH3O2 H 3C 1O 2 0G 300.000 5000.000 1374.000 11 6.47970487E+00 7.44401080E-03-2.52348555E-06 3.89577296E-10-2.25182399E-14 2 -1.56285441E+03-8.19477074E+00 1.97339205E+00 1.53542340E-02-6.37314891E-06 3 3.19930565E-10 2.82193915E-13 2.54278835E+02 1.69194215E+01 4 CH2O2H 9/ 1/12 C 1H 3O 2 0G 300.000 5000.000 1410.000 21 9.24697852E+00 4.60845541E-03-1.53501472E-06 2.34434830E-10-1.34573106E-14 2 4.11529953E+03-2.11503248E+01 2.88976454E+00 2.09465776E-02-1.75190772E-05 3 7.27819787E-09-1.18912344E-12 6.12390620E+03 1.23802076E+01 4 CH4 G 8/99C 1 H 4 0 0 G 200.000 6000.00 1000.00 1 1.65326226E+00 1.00263099E-02-3.31661238E-06 5.36483138E-10-3.14696758E-14 2 -1.00095936E+04 9.90506283E+00 5.14911468E+00-1.36622009E-02 4.91453921E-05 3 -4.84246767E-08 1.66603441E-11-1.02465983E+04-4.63848842E+00-8.97226656E+03 4 CH3 IU0702C 1 H 3 0 0 G 200.000 6000.00 1000.00 1 0.29781206E+01 0.57978520E-02-0.19755800E-05 0.30729790E-09-0.17917416E-13 2 0.16509513E+05 0.47224799E+01 0.36571797E+01 0.21265979E-02 0.54583883E-05 3 -0.66181003E-08 0.24657074E-11 0.16422716E+05 0.16735354E+01 0.17643935E+05 4 CH2 IU3/03C 1 H 2 0 0 G 200.000 6000.00 1000.00 1 3.14631886E+00 3.03671259E-03-9.96474439E-07 1.50483580E-10-8.57335515E-15 2 4.60412605E+04 4.72341711E+00 3.71757846E+00 1.27391260E-03 2.17347251E-06 3 -3.48858500E-09 1.65208866E-12 4.58723866E+04 1.75297945E+00 4.70504920E+04 4 CH2(S) IU6/03C 1 H 2 0 0 G 200.000 6000.00 1000.00 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 5.15727280E+04 4 CH IU3/03C 1 H 1 0 0 G 200.000 6000.00 1000.00 1 0.25209369E+01 0.17653639E-02-0.46147660E-06 0.59289675E-10-0.33474501E-14 2 0.70946769E+05 0.74051829E+01 0.34897583E+01 0.32432160E-03-0.16899751E-05 3 0.31628420E-08-0.14061803E-11 0.70612646E+05 0.20842841E+01 0.71658188E+05 4 CH* 073003C 1H 1 G 0300.00 5000.00 1000.00 1 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2 0.10419559E+06 0.09178373E+02 0.03200202E+02 0.02072875E-01-0.05134431E-04 3 0.05733890E-07-0.01955533E-10 0.10393714E+06 0.03331587E+02 4 C L 7/88C 1 0 0 0G 200.000 6000.00 1000.00 1 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 0.86195097E+05 4 C2H6 G 8/88C 2H 6 0 0G 200.000 6000.00 1000.00 1 4.04666411E+00 1.53538802E-02-5.47039485E-06 8.77826544E-10-5.23167531E-14 2 -1.24473499E+04-9.68698313E-01 4.29142572E+00-5.50154901E-03 5.99438458E-05 3 -7.08466469E-08 2.68685836E-11-1.15222056E+04 2.66678994E+00-1.00849652E+04 4 C2H5 8/ 4/ 4 THERMC 2H 5 0 0G 300.000 5000.000 1387.000 11 5.88784390E+00 1.03076793E-02-3.46844396E-06 5.32499257E-10-3.06512651E-14 2 1.15065499E+04-8.49651771E+00 1.32730217E+00 1.76656753E-02-6.14926558E-06 3 -3.01143466E-10 4.38617775E-13 1.34284028E+04 1.71789216E+01 4 C2H4 G 1/00C 2 H 4 0 0 G 200.000 6000.00 1000.00 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 6.31426266E+03 4 C2H3 ATCT/AC 2 H 3 0 0 G 200.000 6000.00 1000.00 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 3.56701718E+04 4 C2H2 G 1/91C 2 H 2 0 0 G 200.000 6000.00 1000.00 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 2.74459950E+04 4 C2H T 5/10C 2 H 1 0 0 G 200.000 6000.00 1000.00 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 6.83210436E+04 4 CH3CHO L 8/88C 2 H 4 O 1 0 G 200.000 6000.00 1000.00 1 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+01-0.19987949E+05 4 CH3CO IU2/03C 2 H 3 O 1 0 G 200.000 6000.00 1000.00 1 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+01-0.12388039E+04 4 CH2CHO T03/10C 2 H 3 O 1 0 G 200.000 6000.00 1000.00 1 6.53928338E+00 7.80238629E-03-2.76413612E-06 4.42098906E-10-2.62954290E-14 2 -1.18858659E+03-8.72091393E+00 2.79502600E+00 1.01099472E-02 1.61750645E-05 3 -3.10303145E-08 1.39436139E-11 1.62944975E+02 1.23646657E+01 1.53380440E+03 4 CH2CO H 2C 2O 1 0G 300.00 5000.00 1000.00 1!chongwen 240615 5.35869367E+00 6.95641586E-03-2.64802637E-06 4.65067592E-10-3.08641820E-14 2 -7.90294013E+03-3.98525731E+00 1.81422511E+00 1.99008590E-02-2.21416008E-05 3 1.45028521E-08-3.98877068E-12-7.05394926E+03 1.36079359E+01 4 HCCO T 4/09H 1 C 2 O 1 0 G 200.000 6000.00 1000.00 1 5.91479333E+00 3.71408730E-03-1.30137010E-06 2.06473345E-10-1.21476759E-14 2 1.93596301E+04-5.50567269E+00 1.87607969E+00 2.21205418E-02-3.58869325E-05 3 3.05402541E-08-1.01281069E-11 2.01633840E+04 1.36968290E+01 2.14444387E+04 4 HCCOH T12/09C 2 H 2 O 1 0 G 200.000 6000.00 1000.00 1 6.37509678E+00 5.49429011E-03-1.88136576E-06 2.93803536E-10-1.71771901E-14 2 8.93277676E+03-8.24498007E+00 2.05541154E+00 2.52003372E-02-3.80821654E-05 3 3.09890632E-08-9.89799902E-12 9.76872113E+03 1.22271534E+01 1.12217316E+04 4 CH3CO3H 6/26/95 THERMC 2H 4O 3 0G 300.000 5000.000 1391.000 31 1.25060485E+01 9.47789695E-03-3.30402246E-06 5.19630793E-10-3.04233568E-14 2 -4.59856703E+04-3.79195947E+01 2.24135876E+00 3.37963514E-02-2.53887482E-05 3 9.67583587E-09-1.49266157E-12-4.24677831E+04 1.70668133E+01 4 CH3CO3 4/ 3/ 0 THERMC 2H 3O 3 0G 300.000 5000.000 1391.000 21 1.12522498E+01 8.33652672E-03-2.89014530E-06 4.52781734E-10-2.64354456E-14 2 -2.60238584E+04-2.96370457E+01 3.60373432E+00 2.70080341E-02-2.08293438E-05 3 8.50541104E-09-1.43846110E-12-2.34205171E+04 1.12014914E+01 4 CH3CO2 2/14/95 THERMC 2H 3O 2 0G 300.000 5000.000 1395.000 11 8.54059736E+00 8.32951214E-03-2.84722010E-06 4.41927196E-10-2.56373394E-14 2 -2.97290678E+04-2.03883545E+01 1.37440768E+00 2.49115604E-02-1.74308894E-05 3 6.24799508E-09-9.09516835E-13-2.72330150E+04 1.81405454E+01 4 C2H5OH L 8/88C 2 H 6 O 1 0 G 200.000 6000.00 1000.00 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 PC2H4OH T12/01C 2 H 5 O 1 0 G 200.000 6000.00 1000.00 1 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 SC2H4OH T10/04C 2 H 5 O 1 0 G 200.000 6000.00 1000.00 1 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 C2H5O IU2/03C 2 H 5 O 1 0 G 200.000 6000.00 1000.00 1 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 O2C2H4OH 9/ 1/12 THERMC 2H 5O 3 0G 300.000 5000.000 1506.000 41 1.27503881E+01 1.11514325E-02-3.83473891E-06 5.98155829E-10-3.48372108E-14 2 -2.52770876E+04-3.54317608E+01 7.04009800E+00 1.59564166E-02 2.21097416E-06 3 -7.05197355E-09 2.08266026E-12-2.24524432E+04-1.75361758E+00 4 C2H5O2H 9/ 1/12 C 2H 6O 2 0G 300.000 5000.000 1390.000 31 1.04823538E+01 1.34779879E-02-4.62179078E-06 7.18618519E-10-4.17307436E-14 2 -2.46578171E+04-2.84294243E+01 1.83755328E+00 3.38053586E-02-2.37548140E-05 3 9.31974865E-09-1.58003428E-12-2.15814086E+04 1.80977584E+01 4 C2H5O2 9/ 1/12 C 2H 5O 2 0G 300.000 5000.000 1389.000 21 9.50282570E+00 1.20429839E-02-4.09491581E-06 6.33049241E-10-3.66133788E-14 2 -7.37069391E+03-2.21717130E+01 3.90351912E+00 2.22599212E-02-1.01610079E-05 3 1.71709751E-09 1.88166738E-14-5.09654081E+03 8.98722750E+00 4 C2H4O2H 9/ 1/12 C 2H 5O 2 0G 300.000 5000.000 1389.000 31 1.00590614E+01 1.13378955E-02-3.89403387E-06 6.06090687E-10-3.52212353E-14 2 4.24048653E+02-2.32086536E+01 2.75788364E+00 2.88271987E-02-2.08302264E-05 3 8.47401397E-09-1.48617610E-12 3.00153893E+03 1.59921711E+01 4 CH3CHO2H 9/ 1/12 C 2H 5O 2 0G 300.000 5000.000 1386.000 31 9.94166406E+00 1.14384962E-02-3.92847407E-06 6.11402143E-10-3.55267132E-14 2 -2.02545876E+03-2.22163407E+01 4.16440687E+00 2.38795950E-02-1.46887446E-05 3 5.18066666E-09-8.37968487E-13 1.87348817E+02 9.35429162E+00 4 C2H4O1-2 L 8/88C 2 H 4 O 1 0 G 200.000 6000.00 1000.00 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+01-0.63304657E+04 4 C2H3O1-2 A 1/05C 2 H 3 O 1 0 G 200.000 6000.00 1000.00 1 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 CH3COCH3 2/14/13 THERMC 3H 6O 1 0G 300.000 5000.000 1381.000 21 9.68478208E+00 1.45488533E-02-4.98681534E-06 7.75343101E-10-4.50297606E-14 2 -3.10899721E+04-2.68395746E+01 1.14767529E+00 3.00731373E-02-1.37643759E-05 3 1.89028808E-09 2.02896771E-13-2.76607074E+04 2.06153026E+01 4 CH3COCH2 2/14/13 THERMC 3H 5O 1 0G 300.000 5000.000 1387.000 21 1.09524298E+01 1.11458668E-02-3.86262877E-06 6.05088857E-10-3.53293362E-14 2 -9.60833727E+03-3.15622776E+01 1.13381826E+00 3.25095045E-02-2.10424651E-05 3 6.64421151E-09-8.12618901E-13-6.04868361E+03 2.17158655E+01 4 CH3COCH2O2 2/14/13 THERMC 3H 5O 3 0G 300.000 5000.000 1397.000 31 1.65756401E+01 1.06465489E-02-3.61368681E-06 5.59053564E-10-3.23832271E-14 2 -2.42541401E+04-5.45304899E+01 1.19378141E+00 4.98027161E-02-4.17999508E-05 3 1.74527607E-08-2.88198761E-12-1.93244224E+04 2.67877493E+01 4 CH3COCH2O2H 2/14/95 C 3H 6O 3 0G 300.000 5000.000 1381.00 41 1.52372810E+01 1.44114651E-02-5.01290009E-06 7.87071229E-10-4.60225784E-14 2 -4.27564444E+04-4.77383784E+01 4.94789761E+00 3.60474432E-02-2.21719933E-05 3 6.98296874E-09-9.21269260E-13-3.88687178E+04 8.49926130E+00 4 CH3COCH2O 2/ 8/13 THERMC 3H 5O 2 0G 300.000 5000.000 2002.000 21 9.84061707E+00 1.59181106E-02-5.85164644E-06 9.56160073E-10-5.75477263E-14 2 -2.11214823E+04-2.12330791E+01 5.85960137E+00 1.78954926E-02 7.41506398E-07 3 -5.40032753E-09 1.47393197E-12-1.90714739E+04 2.70987883E+00 4 !SPECIES ADOPTED FROM FIONA GILLESPIE'S ACETONE WORK ADDED BY CZ 02/09/2014 CH2COCH2O2H THERMC 3H 5O 3 0G 300.000 5000.000 1395.000 41 1.83434297E+01 9.47172521E-03-3.36699101E-06 5.36484229E-10-3.16966408E-14 2 -1.99138281E+04-6.35875102E+01-9.41174287E-01 6.41925461E-02-6.40174562E-05 3 3.11887343E-08-5.90316242E-12-1.41896095E+04 3.65452260E+01 4 O(CH2)2CO H 4C 3O 2 G 298.150 2000.000 1000.00 1 3.86689108E+00 2.61757926E-02-1.43284134E-05 3.76562939E-09-3.82007471E-13 2 -2.46961120E+04 4.09873884E+00-1.02159595E+00 3.96862783E-02-2.55289481E-05 3 5.18919007E-09 7.72967977E-13-2.34162415E+04 2.91937286E+01 4 !******************************************************************************* C2H3OCH2 H 5 C 3 O 1 G 298.0 6000.0 1000.0 1 1.00397568E+01 1.18952742E-02-4.13512716E-06 6.51590471E-10-3.83196617E-14 2 7.27301530E+03-2.57171542E+01-1.44860882E+00 5.42514911E-02-7.45556749E-05 3 6.03597706E-08-2.01938036E-11 1.01608402E+04 3.16318657E+01 4 C2H3CHO KPS12 C 3H 4O 1 0G 300.000 5000.000 1398.000 01 9.99155394E+00 9.82348001E-03-3.31203088E-06 5.09524422E-10-2.93821890E-14 2 -1.25303509E+04-2.85168883E+01 7.33844455E-01 3.17482671E-02-2.29599468E-05 3 8.42104232E-09-1.23613478E-12-9.38473548E+03 2.10308851E+01 4 C2H3CO KPS12 C 3H 3O 1 0G 300.000 5000.000 1395.000 01 8.86032735E+00 8.48985205E-03-2.90350080E-06 4.50763986E-10-2.61524281E-14 2 7.73489171E+03-2.06978792E+01 1.65335195E+00 2.57402596E-02-1.89009911E-05 3 7.29174972E-09-1.16083226E-12 1.02020654E+04 1.78705872E+01 4 C3H5O KPS12 C 3H 5O 1 0G 300.000 5000.000 1402.000 01 1.02638186E+01 1.17609932E-02-3.89837957E-06 5.92650815E-10-3.38867417E-14 2 7.25938472E+03-2.75108651E+01 8.24068673E-01 3.46749909E-02-2.51786795E-05 3 9.56781953E-09-1.48085302E-12 1.04203725E+04 2.28283070E+01 4 C2H5CHO T05/10C 3 H 6 O 1 0 G 200.000 6000.00 1000.00 1 7.44085690E+00 1.77301764E-02-6.34081568E-06 1.02040803E-09-6.09461714E-14 2 -2.60055814E+04-1.44195446E+01 4.24529681E+00 6.68296706E-03 4.93337933E-05 3 -6.71986124E-08 2.67262347E-11-2.41473007E+04 6.90738560E+00-2.22688471E+04 4 C2H5CO A10/04C 3 H 5 O 1 0 G 200.000 6000.00 1000.00 1 6.52325448E+00 1.54211952E-02-5.50898157E-06 8.85889862E-10-5.28846399E-14 2 -7.19631634E+03-5.19862218E+00 6.25722402E+00-9.17612184E-03 7.61190493E-05 3 -9.05514997E-08 3.46198215E-11-5.91616484E+03 2.23330599E+00-3.94851891E+03 4 CH2CH2CHO 8/10/ 4 THERMC 3H 5O 1 0G 300.000 5000.000 1363.000 21 9.96855598E+00 1.61917946E-02-6.64161740E-06 1.15444520E-09-7.21981790E-14 2 -4.16450354E+03-2.73971573E+01 8.36272659E+00-3.90712606E-03 3.59751257E-05 3 -2.69209237E-08 5.98920261E-12-7.55243244E+02-9.53140102E+00 4 CH3CHCHO 8/10/ 4 THERMC 3H 5O 1 0G 300.000 5000.000 1253.000 21 8.27772090E+00 1.95687188E-02-8.47575089E-06 1.53249728E-09-9.86441542E-14 2 -8.34456062E+03-2.17652483E+01-2.72811212E+00 3.80354483E-02-1.96782132E-05 3 5.09554570E-09-7.28789092E-13-3.51122739E+03 4.04496677E+01 4 !!!!!!!!!!!!!!!!!!!!!!!ARAMCOMECH2.0 OPTIMISED GROUPS!!!!!!!!!!!!!!!!!!!!!!!!!!! CH3OCH3 2/11/14 THERMC 2H 6O 1 0G 300.000 5000.000 1999.000 21 6.03232751E+00 1.56155270E-02-5.50761030E-06 8.75666140E-10-5.17180562E-14 2 -2.52690354E+04-8.25885183E+00 2.05597390E+00 2.07019456E-02-5.00382376E-06 3 -1.62279885E-09 6.84330155E-13-2.35494445E+04 1.45029944E+01 4 CH3OCH2 2/11/14 THERMC 2H 5O 1 0G 300.000 5000.000 1395.000 11 6.62621974E+00 1.22219496E-02-4.12416696E-06 6.34127512E-10-3.65317390E-14 2 -3.33965890E+03-8.95305753E+00 1.58874948E+00 2.24414123E-02-1.19434933E-05 3 3.37160213E-09-4.15077249E-13-1.37208255E+03 1.87548958E+01 4 CH3OCH2O2H 2/12/14 THERMC 2H 6O 3 0G 300.000 5000.000 1404.000 31 1.28159161E+01 1.34818095E-02-4.50397729E-06 6.88229286E-10-3.94883680E-14 2 -4.06745921E+04-3.78047802E+01 1.05786981E+00 4.36787095E-02-3.46383899E-05 3 1.44808830E-08-2.46100643E-12-3.68851076E+04 2.43391936E+01 4 CH3OCH2O2 2/12/14 THERMC 2H 5O 3 0G 300.000 5000.000 1441.000 21 1.19179361E+01 1.19412867E-02-3.93526185E-06 5.95756132E-10-3.39597705E-14 2 -2.34231833E+04-3.20096863E+01 3.39930541E+00 3.09460407E-02-1.92548181E-05 3 5.76033887E-09-6.16081571E-13-2.04433218E+04 1.39429608E+01 4 CH2OCH2O2H 2/12/14 THERMC 2H 5O 3 0G 300.000 5000.000 1418.000 21 1.23892901E+01 1.11758961E-02-3.59249095E-06 5.34196366E-10-3.00536541E-14 2 -1.80551598E+04-3.29576862E+01 1.62245477E-01 4.76101093E-02-4.52046954E-05 3 2.18379311E-08-4.11295947E-12-1.46498100E+04 2.98253164E+01 4 O2CH2OCH2O2H 2/12/14 ERMC 2H 5O 5 0G 300.000 5000.000 1433.000 31 1.77378326E+01 1.13589899E-02-3.67382539E-06 5.49255712E-10-3.10405899E-14 2 -3.82903058E+04-5.66609932E+01 2.39977678E+00 5.39881943E-02-4.87969524E-05 3 2.19792134E-08-3.86106979E-12-3.37824638E+04 2.30683371E+01 4 HO2CH2OCHO 2/12/14 THERMC 2H 4O 4 0G 300.000 5000.000 1386.000 31 1.57136128E+01 9.64430166E-03-3.44136025E-06 5.49722196E-10-3.25360322E-14 2 -6.29409094E+04-5.29505242E+01 1.21909586E+00 4.28858235E-02-3.17634222E-05 3 1.11542676E-08-1.49753153E-12-5.79287926E+04 2.49759193E+01 4 CH3OCH2O 5/15/14 THERMC 2H 5O 2 0G 300.000 5000.000 1523.000 31 9.81288609E+00 1.21313106E-02-4.30285768E-06 6.84443177E-10-4.03862658E-14 2 -2.50760742E+04-2.51866352E+01 5.63414373E+00 8.92830283E-03 1.37225633E-05 3 -1.40497059E-08 3.54625624E-12-2.22825214E+04 1.93588846E+00 4 HOCH2OCO 5/29/14 THERMC 2H 3O 3 0G 300.000 5000.000 1443.000 11 1.11498410E+01 9.34736520E-03-3.35541548E-06 5.38037115E-10-3.19260183E-14 2 -4.75012119E+04-2.95983867E+01 5.95255071E+00 8.42196282E-03 1.36741678E-05 3 -1.46786275E-08 3.84143533E-12-4.44470269E+04 2.85657217E+00 4 OCH2OCHO 5/29/14 THERMC 2H 3O 3 0G 300.000 5000.000 1523.000 21 1.24013200E+01 7.83738243E-03-2.82992688E-06 4.55558739E-10-2.71061389E-14 2 -4.68453470E+04-3.78084549E+01 1.89539692E+00 2.74118545E-02-1.36476090E-05 3 1.26325603E-09 5.17970476E-13-4.27879440E+04 2.02333278E+01 4 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! CH3OCHO T 6/08C 2 H 4 O 2 0 G 200.000 6000.00 1000.00 1 6.33360880E+00 1.34851485E-02-4.84305805E-06 7.81719241E-10-4.67917447E-14 2 -4.68316521E+04-6.91542601E+00 5.96757028E+00-9.38085425E-03 7.07648417E-05 3 -8.29932227E-08 3.13522917E-11-4.55713267E+04 7.50341113E-01-4.37330508E+04 4 CH3OCO 5/ 8/ 3 THERMC 2H 3O 2 0G 300.000 5000.000 1601.000 21 9.73659803E+00 7.42432713E-03-2.65641779E-06 4.25031143E-10-2.51824924E-14 2 -2.36015721E+04-2.36353471E+01 4.16215406E+00 1.38037511E-02-3.08486109E-07 3 -4.56430814E-09 1.46909632E-12-2.10130301E+04 8.64301044E+00 4 CH2OCHO 4/15/ 8 THERMC 2H 3O 2 0G 300.000 5000.000 1442.000 21 1.00960096E+01 7.19887066E-03-2.59813465E-06 4.18110812E-10-2.48723387E-14 2 -2.36389018E+04-2.71144175E+01 2.31031671E+00 1.80474065E-02-2.71519637E-06 3 -4.60918579E-09 1.70037078E-12-2.02910878E+04 1.71549722E+01 4 HE G 5/97HE 1 0 0 0 G 200.000 6000.00 1000.00 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 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0.26432343E-01-0.11758950E-04 3 -0.23035678E-08 0.27715488E-11 0.30916867E+05 0.19989269E+02 4 C3H4-A L 8/89C 3 H 4 0 0 G 200.000 6000.00 1000.00 1 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 0.22962267E+05 4 C3H4-P T 2/90H 4 C 3 0 0 G 200.000 6000.00 1000.00 1 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 0.22302059E+05 4 HCCCHCCH 0C 5H 3 0 0G 200.000 5000.000 1000.00 0 1 0.10313636E+02 0.10278554E-01-0.37086568E-05 0.60568664E-09-0.36721455E-13 2 0.65859508E+05-0.26380088E+02 0.10442368E+01 0.44574721E-01-0.50980758E-04 3 0.29338989E-07-0.65246891E-11 0.67852460E+05 0.19034765E+02 4 C4H5C2H 0C 6H 6 0 0G 200.000 5000.000 1100.00 0 1 0.13903605E+02 0.17453182E-01-0.63026581E-05 0.10316520E-08-0.63440931E-13 2 0.35975470E+05-0.47671401E+02-0.23220260E+00 0.54092928E-01-0.36134322E-04 3 0.69104632E-08 0.13734168E-11 0.39978520E+05 0.25932864E+02 4 FULVENE 0C 6H 6 0 0G 200.000 5000.000 1000.00 0 1 0.11103525E+02 0.20600685E-01-0.75302224E-05 0.12388695E-08-0.75415976E-13 2 0.20361843E+05-0.36665197E+02-0.71813191E+00 0.37934312E-01 0.11398837E-04 3 -0.41333503E-07 0.18055927E-10 0.24223825E+05 0.27855714E+02 4 CHCCH2CH2CHCH2 C 6H 8 G 298.000 3000.000 1000.00 1 6.73656828E+00 3.59801214E-02-1.79442697E-05 4.36251971E-09-4.18063104E-13 2 2.66969542E+04-5.89162957E+00 6.81481260E-01 5.74228263E-02-4.59418624E-05 3 2.02499383E-08-3.69550697E-12 2.80468538E+04 2.40150759E+01 4 CH2CCHCH2CHCH2 C 6H 8 G 298.000 3000.000 1000.00 1 6.12935228E+00 3.64294776E-02-1.79425649E-05 4.29189667E-09-4.04087462E-13 2 2.64952935E+04-1.70336741E+00 3.40906598E+00 3.94865090E-02-1.07919414E-05 3 -8.29929939E-09 4.69973999E-12 2.74305565E+04 1.33764700E+01 4 C3H3 T 7/11C 3 H 3 0 0 G 200.000 6000.00 1000.000 1 7.14221719E+00 7.61902211E-03-2.67460030E-06 4.24914904E-10-2.51475443E-14 2 3.95709594E+04-1.25848690E+01 1.35110873E+00 3.27411291E-02-4.73827407E-05 3 3.76310220E-08-1.18541128E-11 4.07679941E+04 1.52058598E+01 4.22762135E+04 4 C3H3O 2/17/14 CZHOUH 3C 3O 1 G 298.150 2000.000 1000.00 1 4.19355696E+00 1.95625103E-02-1.22336450E-05 3.90615061E-09-5.08539231E-13 2 3.14931737E+04 5.03216224E+00 8.75023836E-01 3.51184068E-02-3.89901356E-05 3 2.40255750E-08-6.10883631E-12 3.20427921E+04 2.04717253E+01 4 C3H3O2H 1/31/13 C 3H 4O 2 0G 300.000 5000.000 1385.000 31 1.38152174E+01 8.62174763E-03-3.06710006E-06 4.88874247E-10-2.88888385E-14 2 6.29182941E+03-4.39151257E+01 1.09787313E+00 4.22717882E-02-3.83969355E-05 3 1.77405069E-08-3.27674312E-12 1.03592314E+04 2.30651783E+01 4 C2HCHO 1/31/13 C 3H 2O 1 0G 300.000 5000.000 2012.000 11 7.99952054E+00 7.07825497E-03-2.63086819E-06 4.33073185E-10-2.62003284E-14 2 8.71863156E+03-1.57226237E+01 4.20776611E+00 1.34382727E-02-5.15442099E-06 3 -2.24570818E-11 2.74111284E-13 1.02117375E+04 5.43871873E+00 4 C3H2 T12/00C 3 H 2 0 0 G 200.000 6000.00 1000.00 1 6.67324762E+00 5.57728845E-03-1.99180164E-06 3.20289156E-10-1.91216272E-14 2 7.57571184E+04-9.72894405E+00 2.43417332E+00 1.73013063E-02-1.18294047E-05 3 1.02756396E-09 1.62626314E-12 7.69074892E+04 1.21012230E+01 7.83005132E+04 4 C3H2(S) 0C 3H 2 0 0G 200.000 5000.000 900.00 0 1 0.77642570E+01 0.47112774E-02-0.16170637E-05 0.25472406E-09-0.15038572E-13 2 0.66849672E+05-0.15098549E+02 0.52976482E+01 0.16987466E-01-0.24266517E-04 3 0.18653681E-07-0.55763001E-11 0.67240466E+05-0.37540041E+01 4 C3H2C 0C 3H 2 0 0G 200.000 5000.000 1500.00 0 1 0.65632680E+01 0.52363256E-02-0.17544830E-05 0.26866106E-09-0.15428509E-13 2 0.56514618E+05-0.12000607E+02 0.11295888E+01 0.17287401E-01-0.11366823E-04 3 0.34569296E-08-0.36615951E-12 0.58419080E+05 0.17331448E+02 4 H2CCC(S) 0C 3H 2 0 0G 200.000 5000.000 1500.00 0 1 0.64888762E+01 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1.53695144E-08-2.81167824E-12-1.80979612E+03 1.69923285E+01 4 C3H6OOH2-2 9/ 1/12 C 3H 7O 2 0G 300.000 5000.000 1387.000 41 1.28195023E+01 1.60998199E-02-5.51073827E-06 8.55673475E-10-4.96391225E-14 2 -8.96332407E+03-3.66195515E+01 5.31236076E+00 3.16261247E-02-1.81191476E-05 3 5.81572618E-09-8.62108993E-13-6.02627337E+03 4.62683594E+00 4 C3H6OOH1-3O2 9/ 1/12 C 3H 7O 4 0G 300.000 5000.000 1416.000 51 1.81661664E+01 1.47644887E-02-4.74842743E-06 7.06972467E-10-3.98305587E-14 2 -2.26256376E+04-5.93719393E+01 5.56933350E+00 4.68523421E-02-3.58917784E-05 3 1.43314525E-08-2.29776083E-12-1.86065694E+04 7.18655005E+00 4 C3H6OOH1-2O2 9/ 1/12 C 3H 7O 4 0G 300.000 5000.000 1404.000 51 1.91044980E+01 1.44076100E-02-4.72127814E-06 7.12631642E-10-4.05578490E-14 2 -2.50270510E+04-6.63747978E+01 3.99085043E+00 5.31865338E-02-4.28597948E-05 3 1.77187019E-08-2.92768695E-12-2.02143526E+04 1.34150719E+01 4 C3H6OOH2-1O2 9/ 1/12 C 3H 7O 4 0G 300.000 5000.000 1404.000 51 1.91044980E+01 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1.22521948E-02-4.22382101E-06 6.59184896E-10-3.83818826E-14 2 -4.25349795E+03-4.02864145E+01 1.74191343E+00 3.97229536E-02-3.20061901E-05 3 1.38227925E-08-2.46272017E-12-6.64428100E+02 1.70762023E+01 4 IC4H10 G 8/00C 4 H 10 0 0 G 200.000 6000.00 1000.00 1 9.76991697E+00 2.54997141E-02-9.14142587E-06 1.47328201E-09-8.80799697E-14 2 -2.14052667E+04-3.00329670E+01 4.45479140E+00 8.26058864E-03 8.29886433E-05 3 -1.14647616E-07 4.64569994E-11-1.84593929E+04 4.92740653E+00-1.62354727E+04 4 IC4H9 T 6/04C 4 H 9 0 0 G 200.000 6000.00 1000.00 1 9.61250942E+00 2.28581786E-02-8.06391309E-06 1.28556553E-09-7.62730799E-14 2 4.15218608E+03-2.66485099E+01 3.34476784E+00 2.31869650E-02 3.28261040E-05 3 -5.96398514E-08 2.58980820E-11 6.66201200E+03 9.68860372E+00 8.87422590E+03 4 TC4H9 T 6/04C 4 H 9 0 0 G 200.000 6000.00 1000.00 1 6.72557390E+00 2.53649194E-02-9.05306262E-06 1.45474620E-09-8.67934112E-14 2 2.57430692E+03-8.89920414E+00 6.45910754E+00-1.02015930E-02 1.06310577E-04 3 -1.25717030E-07 4.75543216E-11 4.43420391E+03 1.30648608E+00 6.61981524E+03 4 IC4H8 C 4H 8 0 0G 300.000 5000.000 1392.000 21 1.11444028E+01 1.81609265E-02-6.17791116E-06 9.55481871E-10-5.52826092E-14 2 -7.84024684E+03-3.68508829E+01 5.72478139E-02 4.17768938E-02-2.49095729E-05 3 7.54294402E-09-9.23202212E-13-3.72166259E+03 2.35698905E+01 4 IC4H7-I1 5/13/15 C 4H 7 0 0G 300.000 5000.000 1396.000 21 1.11158752E+01 1.55127192E-02-5.23769366E-06 8.05998394E-10-4.64703390E-14 2 2.19488297E+04-3.41440480E+01 9.12464579E-01 3.88654394E-02-2.57575714E-05 3 9.07760026E-09-1.33946902E-12 2.55635553E+04 2.08634918E+01 4 IC4H7 C 4H 7 0 0G 300.000 5000.000 1384.000 11 1.18999143E+01 1.51569859E-02-5.09995449E-06 7.83722199E-10-4.51660275E-14 2 1.00363555E+04-4.02286635E+01-2.29578762E-01 4.17842986E-02-2.66885700E-05 3 8.42205744E-09-1.03175361E-12 1.43946680E+04 2.54797645E+01 4 IC4H9O2 9/ 1/12 C 4H 9O 2 0G 300.000 5000.000 1432.000 41 1.78793870E+01 1.82474607E-02-6.01252193E-06 9.11106794E-10-5.20018932E-14 2 -1.74569774E+04-6.61552973E+01 1.77219624E+00 5.34032789E-02-3.31041810E-05 3 9.24465657E-09-8.01706642E-13-1.17768774E+04 2.09581481E+01 4 TC4H9O2 9/ 1/12 C 4H 9O 2 0G 300.000 5000.000 1380.000 41 1.80863238E+01 1.99282971E-02-6.98287309E-06 1.10171726E-09-6.46381057E-14 2 -2.04420664E+04-6.97533212E+01 2.63892371E+00 5.44717499E-02-3.75504698E-05 3 1.40479250E-08-2.27968600E-12-1.47598933E+04 1.40325533E+01 4 IC4H8O2H-I 9/ 1/12 C 4H 9O 2 0G 300.000 5000.000 1414.000 51 1.83915486E+01 1.73042831E-02-5.66841018E-06 8.55414265E-10-4.86781778E-14 2 -9.48569748E+03-6.67673286E+01 1.86432620E-01 6.26430177E-02-4.83690886E-05 3 1.88657148E-08-2.91189385E-12-3.59086611E+03 2.97635367E+01 4 IC4H8O2H-T 9/ 1/12 C 4H 9O 2 0G 300.000 5000.000 1413.000 51 1.69753885E+01 1.85198010E-02-6.09075415E-06 9.21673609E-10-5.25502501E-14 2 -1.14812757E+04-5.88259039E+01 3.84374544E+00 4.36800978E-02-2.07599526E-05 3 2.51709167E-09 5.41306513E-13-6.50766215E+03 1.34244877E+01 4 TC4H8O2H-I 9/ 1/12 C 4H 9O 2 0G 300.000 5000.000 1379.000 51 1.81415374E+01 1.94699499E-02-6.82750014E-06 1.07773311E-09-6.32519099E-14 2 -1.23570939E+04-6.63491602E+01 3.54378349E+00 5.25201369E-02-3.69898493E-05 3 1.44634925E-08-2.47536050E-12-6.98183185E+03 1.27623539E+01 4 IC4H8O 9/ 1/12 C 4H 8O 1 0G 300.000 5000.000 1394.000 21 1.40433578E+01 2.05733637E-02-9.09519220E-06 1.73417298E-09-1.14908544E-13 2 -3.62275308E+04-6.90009668E+01-5.02573822E+00 7.51340960E-02-6.88668822E-05 3 3.12223247E-08-5.60128818E-12-3.07481413E+04 2.96284295E+01 4 CC4H8O 9/ 1/12 C 4H 8O 1 0G 300.000 5000.000 1431.000 11 1.51841776E+01 1.64656666E-02-5.33483091E-06 7.98149768E-10-4.51160381E-14 2 -3.33923434E+04-7.43746988E+01-6.56746688E+00 7.87298554E-02-7.33065478E-05 3 3.40602701E-08-6.15674656E-12-2.71582518E+04 3.80875851E+01 4 TC4H9O T08/04C 4 H 9 O 1 0 G 200.000 6000.00 1000.00 1 1.27371509E+01 2.33707342E-02-8.50516678E-06 1.38519973E-09-8.34398061E-14 2 -1.66940150E+04-4.53156321E+01 2.77057100E+00 2.68033175E-02 4.12718360E-05 3 -7.22054739E-08 3.02642276E-11-1.27079262E+04 1.21532856E+01-1.04543262E+04 4 IC4H9O A08/04C 4 H 9 O 1 0 G 200.000 6000.00 1000.00 1 1.16309708E+01 2.47981574E-02-9.01550536E-06 1.46714720E-09-8.83214518E-14 2 -1.37854612E+04-3.81956151E+01 3.80297372E+00 1.56874209E-02 6.81105412E-05 3 -9.83346774E-08 3.95261902E-11-1.00832243E+04 9.78963305E+00-7.82602559E+03 4 IC4H9O2H 9/ 1/12 C 4H 10O 2 0G 300.000 5000.000 1402.000 51 1.91651624E+01 1.93678648E-02-6.41984435E-06 9.76947752E-10-5.59299558E-14 2 -3.48790978E+04-7.42063787E+01-5.47969191E-01 6.57428787E-02-4.70123149E-05 3 1.65991096E-08-2.27331437E-12-2.82180462E+04 3.12961385E+01 4 TC4H9O2H 9/ 1/12 C 4H 10O 2 0G 300.000 5000.000 1382.000 51 1.90926853E+01 2.12697804E-02-7.46252626E-06 1.17841127E-09-6.91795087E-14 2 -3.77278405E+04-7.61321196E+01 4.45573540E-01 6.66153523E-02-5.20932123E-05 3 2.22301799E-08-4.00189859E-12-3.12260714E+04 2.37278262E+01 4 IC4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1386.000 21 1.33457615E+01 1.61218588E-02-5.44376403E-06 8.38199374E-10-4.83608280E-14 2 6.11443644E+02-4.36818838E+01 1.74700687E+00 4.07783436E-02-2.44750243E-05 3 7.06502958E-09-7.51570589E-13 4.86979233E+03 1.94535999E+01 4 IC4H8OH 2/14/95 THERMC 4H 9O 1 0G 300.000 5000.000 1376.000 41 1.25605997E+01 2.10637488E-02-7.15019648E-06 1.10439262E-09-6.38428695E-14 2 -1.86203249E+04-3.67889430E+01 3.29612707E+00 3.47649647E-02-1.02505618E-05 3 -2.04641931E-09 1.18879408E-12-1.45627247E+04 1.58606320E+01 4 IO2C4H8OH 8/23/95 THERMC 4H 9O 3 0G 300.000 5000.000 1395.000 51 1.79798208E+01 2.13452115E-02-7.29108198E-06 1.13068846E-09-6.55402236E-14 2 -3.85769917E+04-6.23553522E+01 2.88826008E+00 5.80363124E-02-4.26690874E-05 3 1.71759332E-08-2.91842186E-12-3.33881503E+04 1.83381149E+01 4 IC3H7CHO 2/22/96 THERMC 4H 8O 1 0G 300.000 5000.000 1391.000 31 1.37501656E+01 1.83126722E-02-6.28572629E-06 9.78250756E-10-5.68538653E-14 2 -3.26936771E+04-4.77270548E+01-2.73021382E-01 4.89696307E-02-3.12770049E-05 3 1.00052945E-08-1.27512074E-12-2.76054737E+04 2.83451139E+01 4 TC3H6CHO 2/22/96 THERMC 4H 7O 1 0G 300.000 5000.000 1389.000 21 1.31013047E+01 1.66391865E-02-5.68457623E-06 8.81808351E-10-5.11290161E-14 2 -1.30638647E+04-4.42705813E+01 1.87052762E+00 4.14869677E-02-2.66815701E-05 3 9.01531610E-09-1.27870633E-12-8.97730744E+03 1.66174178E+01 4 IC3H6CHO 2/22/96 THERMC 4H 7O 1 0G 300.000 5000.000 1390.000 31 1.33102250E+01 1.62097959E-02-5.57575891E-06 8.69003718E-10-5.05554202E-14 2 -7.62177931E+03-4.25050854E+01 5.21481767E-01 4.43114357E-02-2.86617314E-05 3 9.30319894E-09-1.20761563E-12-2.99677086E+03 2.68182130E+01 4 IC3H7CO 2/22/96 THERMC 4H 7O 1 0G 300.000 5000.000 1390.000 31 1.33305736E+01 1.61873930E-02-5.56711402E-06 8.67575951E-10-5.04696549E-14 2 -1.37307001E+04-4.33958746E+01 5.03452639E-01 4.41607510E-02-2.82139091E-05 3 8.93548675E-09-1.11327422E-12-9.07755468E+03 2.61991461E+01 4 IC4H8OOH-IO2 9/ 1/12 C 4H 9O 4 0G 300.000 5000.000 1367.000 61 2.24664901E+01 2.09351287E-02-7.44324128E-06 1.18589255E-09-7.00546897E-14 2 -2.94495457E+04-8.54241451E+01 4.23354857E+00 5.63088857E-02-3.15672522E-05 3 7.79536931E-09-6.21665008E-13-2.22782534E+04 1.52623111E+01 4 IC4H8OOH-TO2 9/ 1/12 C 4H 9O 4 0G 300.000 5000.000 1385.000 61 2.32464612E+01 1.88384513E-02-6.40938087E-06 9.92649459E-10-5.75275879E-14 2 -3.16533132E+04-8.88301710E+01 3.36413530E+00 6.93742776E-02-5.70416393E-05 3 2.46040165E-08-4.32848680E-12-2.51137558E+04 1.65767339E+01 4 TC4H8OOH-IO2 9/ 1/12 C 4H 9O 4 0G 300.000 5000.000 1385.000 61 2.32464612E+01 1.88384513E-02-6.40938087E-06 9.92649459E-10-5.75275879E-14 2 -3.16533132E+04-8.88301710E+01 3.36413530E+00 6.93742776E-02-5.70416393E-05 3 2.46040165E-08-4.32848680E-12-2.51137558E+04 1.65767339E+01 4 IC4KETII 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1387.000 51 1.95143059E+01 1.82377395E-02-6.38908606E-06 1.00801571E-09-5.91440350E-14 2 -4.46884836E+04-7.17167584E+01 1.15501614E+00 6.10622345E-02-4.49711323E-05 3 1.70514654E-08-2.65948602E-12-3.82747956E+04 2.69612235E+01 4 IC4KETIT 7/19/ 0 THERMC 4H 8O 3 0G 300.000 5000.000 1388.000 51 2.09369850E+01 1.71090955E-02-6.01892169E-06 9.52353863E-10-5.59926176E-14 2 -4.77819819E+04-8.27717611E+01 1.14243741E+00 6.33840797E-02-4.73084738E-05 3 1.77145373E-08-2.67265475E-12-4.09366796E+04 2.34844867E+01 4 IC4H7OH C 4H 8O 1 0G 300.000 5000.000 1398.000 31 1.23304221E+01 1.83885172E-02-6.06721733E-06 9.19054723E-10-5.24036171E-14 2 -2.59452023E+04-3.67418286E+01 2.04124240E+00 4.14387207E-02-2.55228632E-05 3 8.28133017E-09-1.10654457E-12-2.22709637E+04 1.88699473E+01 4 SC4H7OH-I L 2/00C 4H 8O 1 0G 300.000 5000.000 1395.000 31 1.30299481E+01 1.83782479E-02-6.18529878E-06 9.49578099E-10-5.46526348E-14 2 -3.10723026E+04-4.22891828E+01 2.70103499E+00 4.17950180E-02-2.67860575E-05 3 9.38191037E-09-1.41171285E-12-2.73561190E+04 1.35316306E+01 4 IC4H6OH 8/19/95 THERMC 4H 7O 1 0G 300.000 5000.000 1390.000 31 1.40310926E+01 1.55317541E-02-5.32754961E-06 8.28785902E-10-4.81545257E-14 2 -7.69378228E+03-4.76555306E+01 8.63371227E-01 4.68711282E-02-3.43580339E-05 3 1.33031052E-08-2.13914975E-12-3.14948305E+03 2.29075523E+01 4 IC3H5CHO C 4H 6O 1 0G 300.000 5000.000 1396.000 21 1.33892118E+01 1.39115420E-02-4.75820958E-06 7.38736618E-10-4.28606559E-14 2 -1.97917448E+04-4.60146004E+01 1.09372823E+00 4.43315368E-02-3.41918451E-05 3 1.39369607E-08-2.33791460E-12-1.56745978E+04 1.94458467E+01 4 IC3H5OCH3 6/ 2/14 CZHOUH 8C 4O 1 G 298.150 2000.000 1000.00 1 9.43085269E+00 2.53593724E-02-9.16220651E-06 7.17979273E-10 1.77400409E-13 2 -2.30799305E+04-2.39001560E+01 7.11465824E-01 4.23646564E-02-7.86173758E-06 3 -1.80212634E-08 9.33027691E-12-2.04424399E+04 2.26339111E+01 4 IC3H5OCH2 6/ 2/14 CZHOUH 7C 4O 1 G 298.150 2000.000 1000.00 1 6.64731727E+00 3.08190709E-02-1.73209320E-05 5.01099629E-09-6.00089387E-13 2 1.70679921E+03-5.91214819E+00-2.14798958E+00 7.00225553E-02-8.21595440E-05 3 5.22589946E-08-1.34176532E-11 3.26474773E+03 3.55145589E+01 4 IC3H5CO C 4H 5O 1 0G 300.000 5000.000 1396.000 21 1.29634401E+01 1.17954996E-02-4.04361488E-06 6.28771516E-10-3.65209867E-14 2 -8.26519462E+02-4.20562575E+01 1.87306990E+00 3.95188508E-02-3.11404053E-05 3 1.28844447E-08-2.18165308E-12 2.85270691E+03 1.68774016E+01 4 IC4H7OOH 4/15/15 C 4H 8O 2 0G 300.000 5000.000 1386.000 41 1.82897194E+01 1.67815784E-02-5.80668193E-06 9.08949180E-10-5.30513302E-14 2 -1.82046522E+04-6.72111342E+01 1.31851762E-01 6.19561224E-02-4.99343877E-05 3 2.09628211E-08-3.59717924E-12-1.21399925E+04 2.93905962E+01 4 IC3H6CO 03/03/95 THERMC 4H 6O 1 0G 300.000 5000.000 1397.00 41 1.32548232E+01 1.40142787E-02-4.78910215E-06 7.42924342E-10-4.30737566E-14 2 -2.00529779E+04-4.44810221E+01 2.28039055E+00 4.17016989E-02-3.25089661E-05 3 1.37243419E-08-2.40573132E-12-1.63939712E+04 1.38187714E+01 4 TC3H6OCHO 8/25/95 THERMC 4H 7O 2 0G 300.000 5000.000 1394.00 31 1.70371287E+01 1.54400645E-02-5.28332886E-06 8.21085347E-10-4.76898429E-14 2 -2.75871941E+04-6.37271230E+01 3.70830259E-01 5.38475661E-02-3.82477565E-05 3 1.32882237E-08-1.79228730E-12-2.18391262E+04 2.58142112E+01 4 TC3H6OHCHO 8/ 1/95 THERMC 4H 8O 2 0G 300.000 5000.000 1396.00 41 1.70788996E+01 1.74005554E-02-5.93008112E-06 9.18860909E-10-5.32512140E-14 2 -5.38730427E+04-6.38638754E+01 2.10033500E-01 5.63086284E-02-3.95158669E-05 3 1.37780428E-08-1.89068805E-12-4.80402638E+04 2.67836070E+01 4 C3H6OH2-1 8/ 9/ 4 THERMC 3H 7O 1 0G 300.000 5000.000 1392.000 31 1.12222277E+01 1.36444398E-02-4.51406709E-06 7.10523275E-10-4.22690392E-14 2 -1.75350136E+04-3.18911926E+01 1.09670360E+00 3.80727565E-02-2.75022497E-05 3 1.07477493E-08-1.74895773E-12-1.40764487E+04 2.22475799E+01 4 TC3H6OH 8/ 9/ 4 THERMC 3H 7O 1 0G 300.000 5000.000 1392.000 31 1.12222277E+01 1.36444398E-02-4.51406709E-06 7.10523275E-10-4.22690392E-14 2 -1.75350136E+04-3.18911926E+01 1.09670360E+00 3.80727565E-02-2.75022497E-05 3 1.07477493E-08-1.74895773E-12-1.40764487E+04 2.22475799E+01 4 IC3H5OH 8/ 1/95 THERMC 3H 6O 1 0G 300.000 5000.000 1374.00 21 1.07381025E+01 1.31698194E-02-4.41529622E-06 6.77009837E-10-3.89608901E-14 2 -2.47298321E+04-3.13634050E+01 1.58376391E+00 3.16215366E-02-1.73664942E-05 3 4.18927663E-09-2.79899620E-13-2.12643496E+04 1.88313766E+01 4 TC3H6O2CHO 8/ 2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1386.00 41 1.85534443E+01 1.68774389E-02-5.90752965E-06 9.31518085E-10-5.46345187E-14 2 -2.85447191E+04-6.82486667E+01 2.17883383E+00 5.41595832E-02-3.83435886E-05 3 1.38308104E-08-2.04190147E-12-2.27394154E+04 2.00751264E+01 4 TC3H6O2HCO 8/ 2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1387.00 51 2.06472678E+01 1.48526500E-02-5.25104875E-06 8.33619219E-10-4.91256069E-14 2 -2.88719869E+04-7.95951389E+01 2.03864428E+00 5.80421003E-02-4.32123528E-05 3 1.58792094E-08-2.32209543E-12-2.24284673E+04 2.03680990E+01 4 IC3H5O2HCHO 8/2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1387.00 51 2.06288832E+01 1.48625539E-02-5.25305276E-06 8.33772951E-10-4.91277401E-14 2 -2.27589076E+04-7.82962888E+01 2.05984770E+00 5.82331716E-02-4.37672100E-05 3 1.63249918E-08-2.43462051E-12-1.63496250E+04 2.13687921E+01 4 CH2CCH2OH 9/ 8/95 THERMC 3H 5O 1 0G 300.000 5000.000 1372.00 21 9.70702027E+00 1.13972660E-02-3.77993962E-06 5.75209277E-10-3.29229125E-14 2 9.13212884E+03-2.25012933E+01 2.88422544E+00 2.42428071E-02-1.14152268E-05 3 1.71775334E-09 1.42177454E-13 1.17935615E+04 1.52102335E+01 4 TC4H8CHO 9/ 7/95 THERMC 5H 9O 1 0G 300.000 5000.000 1397.00 41 1.79663933E+01 1.94207117E-02-6.67409451E-06 1.03969221E-09-6.04702651E-14 2 -1.33368585E+04-6.79819424E+01-9.58078294E-01 6.42003258E-02-4.70776827E-05 3 1.75737698E-08-2.64896151E-12-6.86582501E+03 3.33781112E+01 4 O2C4H8CHO 9/ 7/95 THERMC 5H 9O 3 0G 300.000 5000.000 1395.00 51 2.12629904E+01 2.14072282E-02-7.38342949E-06 1.15281523E-09-6.71508438E-14 2 -3.16854524E+04-7.99828703E+01 1.91847699E+00 6.67245869E-02-4.80871046E-05 3 1.78588690E-08-2.71163880E-12-2.49837984E+04 2.38577867E+01 4 O2HC4H8CO 9/ 7/95 THERMC 5H 9O 3 0G 300.000 5000.000 1394.00 61 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3.24793912E-02-1.67587774E-05 4.03514137E-09-3.70739036E-13 2 3.00730524E+04 1.60315806E+01-3.97555452E+00 7.41370991E-02-1.11803345E-04 3 9.04628776E-08-2.80999747E-11 3.01769405E+04 3.67153636E+01 4 C5H6 T 1/90C 5H 6 0 0G 200.000 6000.000 1000. 1 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 0.16152485E+05 4 C5H5OH 5/ 2/91 THE.MC 5H 6O 1 0G 300.000 5000.000 1398.000 11 1.53433477E+01 1.50754059E-02-5.13553582E-06 7.95807816E-10-4.61311517E-14 2 -1.19645453E+04-5.85204430E+01-4.26822012E+00 6.62446749E-02-5.68494038E-05 3 2.46858526E-08-4.26820696E-12-5.75581338E+03 4.47962850E+01 4 C5H4O T 8/99C 5H 4O 1 0G 200.000 6000.000 1000. 1 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 C5H5O 5/16/90 THERMC 5H 5O 1 0G 300.000 5000.000 1392.000 01 1.48322894E+01 1.40483376E-02-4.92302051E-06 7.77041219E-10-4.56103939E-14 2 1.45523665E+04-5.73228191E+01-2.83112840E+00 5.67277287E-02-4.44757303E-05 3 1.74924447E-08-2.76004847E-12 2.04992154E+04 3.69634411E+01 4 C5H4OH T 8/99C 5H 5O 1 0G 200.000 6000.000 1000. 1 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 C6H5OO 3/26/ 9 THERMC 6H 5O 2 0G 300.000 5000.000 1403.000 11 1.67078262E+01 1.62326229E-02-5.47969630E-06 8.43510060E-10-4.86562431E-14 2 8.14242915E+03-6.08346973E+01-2.99164672E+00 7.03857150E-02-6.34400574E-05 3 2.91548920E-08-5.30706938E-12 1.41320240E+04 4.20142955E+01 4 C6H5OOH 3/26/ 9 THERMC 6H 6O 2 0G 300.000 5000.000 1404.000 21 1.92317474E+01 1.63154699E-02-5.53448904E-06 8.55059974E-10-4.94583790E-14 2 -1.01971012E+04-7.61674471E+01-4.03105975E+00 7.96101888E-02-7.21655013E-05 3 3.27610696E-08-5.85584239E-12-3.10973017E+03 4.54324978E+01 4 C6H4OH 4/ 9/ 9 THERMC 6H 5O 1 0G 300.000 5000.000 1402.000 11 1.73187560E+01 1.36366984E-02-4.68316332E-06 7.29071204E-10-4.23805358E-14 2 1.14990276E+04-6.89986593E+01-5.99875435E+00 8.59063379E-02-9.12525636E-05 3 4.72275890E-08-9.35576749E-12 1.78621926E+04 4.99931427E+01 4 HOC6H4OH 4/ 9/ 9 THERMC 6H 6O 2 0G 300.000 5000.000 1405.000 21 2.31394847E+01 1.31873680E-02-4.49072464E-06 6.95268891E-10-4.02643108E-14 2 -4.25885990E+04-1.02692352E+02-8.68529064E+00 1.17282933E-01-1.33754802E-04 3 7.16697462E-08-1.44385730E-11-3.44903827E+04 5.77087257E+01 4 OC6H4OH 4/ 9/ 9 THERMC 6H 5O 2 0G 300.000 5000.000 1403.000 11 2.22718210E+01 1.21038561E-02-4.18429526E-06 6.54475399E-10-3.81746504E-14 2 -2.34827539E+04-9.61035467E+01-8.02205657E+00 1.09403210E-01-1.23489276E-04 3 6.56286805E-08-1.31527870E-11-1.55949156E+04 5.72175202E+01 4 P-OC6H5OJ WKM C 6O 2H 5 0G 300.000 5000.000 1400.000 01 1.82799770E+01 1.59280974E-02-5.50765220E-06 8.61649836E-10-5.02677539E-14 2 -6.25907994E+01-7.25809444E+01-3.29683290E+00 7.27365977E-02-6.36158220E-05 3 2.80683553E-08-4.92279426E-12 6.73402222E+03 4.09349895E+01 4 O-OC6H5OJ WKM C 6O 2H 5 0G 300.000 5000.000 1400.000 01 1.84625733E+01 1.57607263E-02-5.44671499E-06 8.51765760E-10-4.96759541E-14 2 -1.72770226E+02-7.28742484E+01-2.65459198E+00 7.17179095E-02-6.31552372E-05 3 2.81132946E-08-4.97463333E-12 6.45283150E+03 3.81123139E+01 4 C#CC*CCJ GLAR C 5H 5 0 0G 300.000 5000.000 1396.000 11 1.41230912E+01 1.14233190E-02-3.95851276E-06 6.20128961E-10-3.62097887E-14 2 4.25158384E+04-5.02942871E+01-6.16143558E-01 5.06466579E-02-4.48561743E-05 3 2.02459419E-08-3.64542145E-12 4.71532377E+04 2.71623299E+01 4 C5H6-L 2/ 5/ 9 THERMC 5H 6 0 0G 300.000 5000.000 1372.000 21 1.29600892E+01 1.48953758E-02-5.23622902E-06 8.27916389E-10-4.86464523E-14 2 2.38180800E+04-4.25312093E+01 3.58448213E+00 3.24459626E-02-1.70150991E-05 3 4.22715914E-09-4.18452556E-13 2.76514681E+04 9.60644208E+00 4 CJ*CC*CC*O 2/ 5/ 9 THERMC 5H 5O 1 0G 300.000 5000.000 1396.000 21 1.62360823E+01 1.18297101E-02-4.11454219E-06 6.46026823E-10-3.77767639E-14 2 1.93499885E+04-5.83498817E+01-5.06628841E-01 6.04671965E-02-5.97396749E-05 3 2.96804228E-08-5.76240010E-12 2.42765544E+04 2.82994148E+01 4 C*CC*CCJ*O 2/ 5/ 9 THERMC 5H 5O 1 0G 300.000 5000.000 1399.000 11 1.53178248E+01 1.27352911E-02-4.35882964E-06 6.76912763E-10-3.92771371E-14 2 7.60582726E+03-5.43599625E+01-2.18492198E-01 5.92100223E-02-5.89241174E-05 3 2.97411920E-08-5.85244770E-12 1.20600764E+04 2.55968530E+01 4 CJ*CC*O 4/ 8/94 THERMC 3H 3O 1 0G 300.000 5000.000 1402.000 11 1.07482537E+01 6.19822688E-03-2.06130981E-06 3.14418872E-10-1.80309517E-14 2 1.51410162E+04-3.01266033E+01 1.46654466E+00 3.23390476E-02-3.05588208E-05 3 1.44081861E-08-2.65600505E-12 1.78850058E+04 1.80850321E+01 4 C5H3O TAK0905C 5H 3O 1 0G 300.000 3500.000 1500.00 1 1.19961781E+01 1.34287065E-02-5.90045309E-06 1.22553862E-09-9.86114716E-14 2 2.89592010E+04-4.07548249E+01-3.03242604E+00 5.43937201E-02-4.95018348E-05 3 2.25523751E-08-4.10727920E-12 3.35644081E+04 3.78374823E+01 4 C5H7 1/22/ 9 WKM C 5H 7 0 0G 300.000 5000.000 1377.000 31 1.36630213E+01 1.68061358E-02-5.98746539E-06 9.55341072E-10-5.64951981E-14 2 1.27238941E+04-5.46331286E+01-6.75118368E+00 6.06461693E-02-4.01260152E-05 3 1.22051562E-08-1.33459844E-12 2.01365277E+04 5.62694938E+01 4 OC5H7O 1/22/ 9 WKM C 5H 7O 2 0G 300.000 5000.000 1375.000 31 1.65416953E+01 1.86677673E-02-6.44836048E-06 1.00787611E-09-5.87521858E-14 2 -2.82017168E+04-5.47258181E+01 4.88394767E+00 4.03401300E-02-1.97774150E-05 3 3.68903501E-09-3.40202384E-14-2.35295942E+04 9.97070337E+00 4 C*CCJC*COH 10/6/95 Z&B C 5H 7O 1 0G 300.000 5000.000 1397.000 31 1.67465815E+01 1.58357240E-02-5.44954706E-06 8.49881387E-10-4.94743246E-14 2 -4.30972870E+03-6.19378748E+01-2.91175436E+00 6.69362484E-02-5.71603047E-05 3 2.48753749E-08-4.33243894E-12 1.96441523E+03 4.17454344E+01 4 C*CC*CCJ Z&B C 5H 7 0 0G 300.000 5000.000 1386.000 21 1.47302883E+01 1.59030900E-02-5.57729508E-06 8.80604825E-10-5.16963733E-14 2 1.74050791E+04-5.42670706E+01-1.60087476E+00 5.38764703E-02-3.96302225E-05 3 1.49599474E-08-2.31995284E-12 2.31199746E+04 3.35492960E+01 4 C*CC*CC 3/1/95 Z&B C 5H 8 0 0G 300.000 5000.000 1395.000 21 1.41303131E+01 1.81877961E-02-6.19208788E-06 9.58333792E-10-5.54785472E-14 2 2.25907168E+03-5.11705577E+01-1.19376866E+00 5.65474329E-02-4.39472481E-05 3 1.82341266E-08-3.12226566E-12 7.36084709E+03 3.02808980E+01 4 C*CC*CCOH 1/23/ 9 WKM C 5H 8O 1 0G 300.000 5000.000 1396.000 31 1.63079670E+01 1.79957763E-02-6.03115896E-06 9.23992259E-10-5.31254053E-14 2 -1.58204603E+04-5.84137244E+01-5.31488384E-01 6.06983915E-02-4.81499862E-05 3 2.00308244E-08-3.38987282E-12-1.03301302E+04 3.07961436E+01 4 C*CCJC*O Z&B C 4H 5O 1 0G 300.000 5000.000 1385.000 11 1.22833215E+01 1.26428506E-02-4.31034879E-06 6.68415867E-10-3.87693974E-14 2 1.86818728E+03-3.84807909E+01-4.83886977E-01 4.23431670E-02-3.05389089E-05 3 1.11441978E-08-1.63863920E-12 6.28635090E+03 3.00860103E+01 4 OC4H6O 1/23/ 9 WKM C 4H 6O 2 0G 300.000 5000.000 1382.000 31 1.41894774E+01 1.53345510E-02-5.24594862E-06 8.14655154E-10-4.72759368E-14 2 -4.10001835E+04-4.43771751E+01 4.21628848E+00 3.57422725E-02-2.04226185E-05 3 5.63821367E-09-5.88888993E-13-3.72055911E+04 1.02814620E+01 4 OC4H5O 1/23/ 9 WKM C 4H 5O 2 0G 300.000 5000.000 1388.000 21 1.32138775E+01 1.37339051E-02-4.62639517E-06 7.10941370E-10-4.09538499E-14 2 -2.16535271E+04-3.64185255E+01 4.60550978E+00 3.30498712E-02-2.13102363E-05 3 7.37021089E-09-1.08289438E-12-1.85460831E+04 1.01599453E+01 4 HOC*CC*O 1/26/ 9 WKM C 3H 4O 2 0G 300.000 5000.000 1413.000 21 1.66505478E+01 6.11745137E-03-2.09080785E-06 3.24985683E-10-1.88875073E-14 2 -3.82179939E+04-6.36794754E+01-2.01837189E+00 6.26539783E-02-6.73359280E-05 3 3.39430425E-08-6.48917648E-12-3.31367523E+04 3.18162860E+01 4 HOC*CCJ*O 1/26/ 9 WKM C 3H 3O 2 0G 300.000 5000.000 1414.000 11 1.52720985E+01 5.02586331E-03-1.68408578E-06 2.58390706E-10-1.48849424E-14 2 -1.98506828E+04-5.54641734E+01 6.07270082E-01 4.96011303E-02-5.32300885E-05 3 2.68392951E-08-5.13094510E-12-1.58814562E+04 1.94817133E+01 4 C2H2OH H 3C 2O 1 0G 300.000 5000.000 1401.000 11 8.20268447E+00 5.92989165E-03-1.99194448E-06 3.05794341E-10-1.76114732E-14 2 1.24881328E+04-1.89670436E+01 6.41642616E-01 2.61903633E-02-2.30385370E-05 3 1.02804704E-08-1.81971416E-12 1.48276951E+04 2.06750999E+01 4 O2CCHOOJ Z&B C 2H 1O 4 0G 300.000 5000.000 1682.000 01 1.09910849E+01 7.46985861E-03-2.75568271E-06 4.51353051E-10-2.72108652E-14 2 -3.51335323E+04-2.11652231E+01 8.91497688E+00 8.60571847E-03 5.24416766E-07 3 -2.79301331E-09 7.62963051E-13-3.40867754E+04-8.72978273E+00 4 HCOH MAR94 C 1H 2O 1 0G 300. 5000. 1398. 1 9.18749272E+00 1.52011152E-03-6.27603516E-07 1.09727989E-10-6.89655128E-15 2 7.81364593E+03-2.73434214E+01-2.82157421E+00 3.57331702E-02-3.80861580E-05 3 1.86205951E-08-3.45957838E-12 1.12956672E+04 3.48487757E+01 4 C2H3OH 2/ 3/ 9 THERMC 2H 4O 1 0G 300.000 5000.000 1410.000 11 8.32598158E+00 8.03387281E-03-2.63928405E-06 3.98410726E-10-2.26551155E-14 2 -1.83221436E+04-2.02080305E+01-1.27972260E-01 3.38506073E-02-3.30644935E-05 3 1.64858739E-08-3.19935455E-12-1.59914544E+04 2.30438601E+01 4 O2CH2CHO BOZ_03C 2H 3O 3 0G 300.000 5000.000 1393.000 01 1.11807543E+01 9.14479256E-03-3.15089833E-06 4.91944238E-10-2.86639180E-14 2 -1.55790331E+04-2.87892740E+01-1.29465843E+00 4.44936393E-02-4.26577074E-05 3 2.07391950E-08-3.96828771E-12-1.18275628E+04 3.60778797E+01 4 HO2CH2CO BOZ_03C 2H 3O 3 0G 300.000 5000.000 1386.000 01 1.04146322E+01 1.12680116E-02-5.17494839E-06 1.00333285E-09-6.68165911E-14 2 -1.40955672E+04-2.27894400E+01 2.22681686E+00 3.56781380E-02-3.26401909E-05 3 1.47651988E-08-2.64794380E-12-1.18735095E+04 1.91581197E+01 4 SC3H4OH 3/28/13 C 3H 5O 1 0G 300.000 5000.000 1407.000 21 1.20968484E+01 9.43976596E-03-3.10773897E-06 4.69609188E-10-2.67165710E-14 2 -3.85854894E+02-3.76795997E+01 1.72870561E+00 4.41015870E-02-4.72013860E-05 3 2.52073596E-08-5.13375710E-12 2.22720503E+03 1.43928257E+01 4 CH3CHCHO 12/ 1/99 THERMC 3H 5O 1 0G 300.000 5000.000 1385.000 21 1.02647528E+01 1.17295061E-02-4.06267561E-06 6.36086751E-10-3.71220190E-14 2 -7.25910488E+03-2.91646638E+01 1.54196914E+00 3.03297391E-02-1.88922690E-05 3 5.92263358E-09-7.53762316E-13-4.01761098E+03 1.83707011E+01 4 CH2CH2CHO 06/09/10 C 3H 5O 10 0G 300.00 4000.00 1000.00 1 0.38802774E+01 0.19560963E-01-0.65248419E-05 0.10275587E-08-0.62784000E-13 2 0.26971973E+03 0.10725105E+02 0.30829394E+00 0.42721864E-01-0.48484926E-04 3 0.31577844E-07-0.82415281E-11 0.24612408E+03 0.25079893E+02 4 PC3H4OH-2 4/ 2/13 THERMC 3H 5O 1 0G 300.000 5000.000 1403.000 21 1.07164095E+01 1.06066461E-02-3.51374060E-06 5.33713932E-10-3.04901511E-14 2 4.98486803E+03-2.98329329E+01 1.42757363E+00 3.64825569E-02-3.18007132E-05 3 1.46914605E-08-2.72331227E-12 7.80342663E+03 1.85890339E+01 4 SC3H4OH-1 4/ 2/13 THERMC 3H 5O 1 0G 300.000 5000.000 1410.000 21 1.25628085E+01 8.58651176E-03-2.72582845E-06 4.01908549E-10-2.24787697E-14 2 3.96526183E+03-4.16107625E+01 2.55744565E-01 4.74882684E-02-4.94984843E-05 3 2.53799319E-08-4.97487174E-12 7.19097870E+03 2.08288803E+01 4 IC3H5O 4/ 2/13 THERMC 3H 5O 1 0G 300.000 5000.000 1397.000 21 1.23529178E+01 9.83087082E-03-3.37836468E-06 5.26074995E-10-3.05827836E-14 2 1.05079663E+03-4.24057711E+01 6.71872962E-01 4.46259031E-02-4.42421428E-05 3 2.23584078E-08-4.41548328E-12 4.43070338E+03 1.77897863E+01 4 SC3H5OH 2/ 3/ 9 C 3H 6O 1 0G 300.000 5000.000 1404.000 21 1.11222064E+01 1.27745410E-02-4.25315532E-06 6.48216484E-10-3.71190850E-14 2 -2.36690795E+04-3.41335182E+01-3.53977226E-02 4.34969453E-02-3.74479918E-05 3 1.70906074E-08-3.13775054E-12-2.02502608E+04 2.41528201E+01 4 C6H11 4/23/13 THERMC 6H 11 0 0G 300.000 5000.000 1395.000 41 1.62895169E+01 2.56916506E-02-8.77728796E-06 1.36135999E-09-7.89198907E-14 2 9.64248821E+03-5.69731387E+01-1.10497097E+00 6.58962623E-02-4.49645678E-05 3 1.65326066E-08-2.57560053E-12 1.58086438E+04 3.67347517E+01 4 H2COCOCH3 7/ 6/13 THERMC 3H 5O 2 0G 300.000 5000.000 1412.000 21 3.79062737E+01 5.42971051E-03-3.33938604E-06 8.33177683E-10-7.95831961E-14 2 -2.09703405E+04-1.40902518E+02 4.11384586E+01-7.62663758E-05-3.51139955E-08 3 -1.14125528E-12-3.30331004E-15-2.24026434E+04-1.59157172E+02 4 CCYCOO 7/ 6/13 THERMC 3H 5O 2 0G 300.000 5000.000 1398.000 21 1.52842170E+01 9.91133864E-03-3.41434716E-06 5.32813858E-10-3.10289585E-14 2 1.41164858E+03-5.24636435E+01 2.55262174E+00 4.36110094E-02-3.81896570E-05 3 1.69947150E-08-3.01394020E-12 5.41657441E+03 1.44748296E+01 4 TC3H5OO 6/ 6/13 THERMC 3H 5O 2 0G 300.000 5000.000 1398.000 21 1.44892862E+01 1.06189587E-02-3.66414488E-06 5.72282956E-10-3.33427783E-14 2 -2.14964368E+03-4.82072152E+01 2.32747386E+00 4.28458215E-02-3.71917675E-05 3 1.66530071E-08-2.99207781E-12 1.69979772E+03 1.57682500E+01 4 IC4H9OH 2/13/14 THERMC 4H 10O 1 0G 300.000 5000.000 1381.000 41 1.51279291E+01 2.24256543E-02-7.84093104E-06 1.23529937E-09-7.24018374E-14 2 -4.24055235E+04-5.56268611E+01-1.33060768E+00 5.80087606E-02-3.77243026E-05 3 1.30836374E-08-1.96806239E-12-3.62416159E+04 3.40553040E+01 4 IC4H8OH1-2 2/13/14 THERMC 4H 9O 1 0G 300.000 5000.000 1369.000 41 1.32352684E+01 2.15263017E-02-7.53955096E-06 1.18915541E-09-6.97506465E-14 2 -1.92810679E+04-4.12238217E+01 2.48381945E+00 3.74634983E-02-1.24404419E-05 3 -7.84429134E-10 8.36242811E-13-1.44435873E+04 2.00882067E+01 4 TC4H9OH 2/13/14 THERMC 4H 9O 1 0G 300.000 5000.000 1582.000 41 1.91170052E+01 1.70783757E-02-6.13647613E-06 9.84619050E-10-5.84522960E-14 2 -4.72181425E+04-7.82653557E+01 2.11144498E+00 4.33944309E-02-1.28715574E-05 3 -4.88530344E-09 2.41143376E-12-4.00605980E+04 1.76805315E+01 4 TC4H8OH-I 2/13/14 THERMC 4H 9O 1 0G 300.000 5000.000 1375.000 41 1.51607153E+01 1.90584382E-02-6.51423267E-06 1.01175391E-09-5.87421172E-14 2 -2.03689560E+04-5.28238753E+01 1.87555411E+00 4.67566068E-02-2.81679690E-05 3 8.67298973E-09-1.11532382E-12-1.53291373E+04 1.98674801E+01 4 IC4H7O2 L 2/00C 4H 7O 2 0G 300.000 5000.000 1404.000 31 1.45791608E+01 1.62136068E-02-5.26957103E-06 7.90454323E-10-4.47755051E-14 2 -1.20848042E+03-4.56459433E+01 1.43532045E+00 4.89026570E-02-3.63600970E-05 3 1.41906420E-08-2.24557878E-12 3.09284623E+03 2.41320196E+01 4 IC4H6OOH-I L 2/00C 4H 7O 2 0G 300.000 5000.000 1398.000 31 1.73601429E+01 1.42046196E-02-4.65348263E-06 7.02209785E-10-3.99552775E-14 2 -1.07509366E+03-6.12822377E+01 6.06669321E+00 3.94950065E-02-2.52721718E-05 3 7.84485641E-09-8.98876886E-13 2.87448422E+03-3.78377026E-01 4 C*CYCCOC L 2/00C 4H 6O 1 0G 300.000 5000.000 1397.000 1 1.14363523E+01 1.63250968E-02-5.57146218E-06 8.63795613E-10-5.00701899E-14 2 -5.44653450E+03-3.87179379E+01-2.45566808E+00 4.88377067E-02-3.46186324E-05 3 1.26590643E-08-1.88737988E-12-6.43460880E+02 3.58434061E+01 4 CCYCCOOC-T1 THERMC 4H 7O 2 0G 300.000 5000.000 1394.000 11 1.68269657E+01 1.64471921E-02-5.63767184E-06 8.78001611E-10-5.10959632E-14 2 -3.65710841E+03-6.74096786E+01-5.29767923E+00 6.65082201E-02-4.67054235E-05 3 1.51029775E-08-1.74322091E-12 3.97935712E+03 5.16412476E+01 4 CCYCCOOC-I2 L 2/00C 4H 7O 2 0G 300.000 5000.000 1398.000 11 1.63388791E+01 1.65879474E-02-5.61829108E-06 8.67331033E-10-5.01476782E-14 2 6.66946988E+03-6.40322040E+01-4.55772603E+00 7.10221387E-02-6.05228430E-05 3 2.61773944E-08-4.51390528E-12 1.32922215E+04 4.60828737E+01 4 CHOIC3H6O L 2/00C 4H 7O 2 0G 300.000 5000.000 1386.000 31 1.55511970E+01 1.67360034E-02-5.73573457E-06 8.92095191E-10-5.18351848E-14 2 -2.50674335E+04-5.23215658E+01 2.55559437E-01 5.22086026E-02-3.72283766E-05 3 1.36714420E-08-2.05638885E-12-1.97284649E+04 2.99210251E+01 4 CCY(C2O)CO L 2/00C 4H 7O 2 0G 300.000 5000.000 1401.000 21 1.64352871E+01 1.65843210E-02-5.71790511E-06 8.92586562E-10-5.19865043E-14 2 -1.60938498E+04-5.96946106E+01-2.97381263E+00 6.75615160E-02-5.79901709E-05 3 2.55213006E-08-4.49991674E-12-9.93607156E+03 4.25127997E+01 4 CCYCCO-T1 L 2/00C 3H 5O 1 0G 300.000 5000.000 1389.000 11 1.03394781E+01 1.15180335E-02-3.87496644E-06 5.95744364E-10-3.43539552E-14 2 7.17658970E+03-2.89687593E+01-1.39311392E+00 3.81789194E-02-2.62316288E-05 3 8.74877238E-09-1.11296763E-12 1.12534953E+04 3.41877003E+01 4 C2CYCOOC-I1 7/14 C 4H 7O 2 0G 300.000 5000.000 1388.000 21 1.89745085E+01 1.50113808E-02-5.30728309E-06 8.42454740E-10-4.96392976E-14 2 -6.93111358E+03-9.08581019E+01-2.04718031E+00 7.26608379E-02-6.82960279E-05 3 3.27505762E-08-6.23802161E-12-3.71475599E+02 1.92056057E+01 4 IC3H5OOCH2 L 2/00C 4H 7O 2 0G 300.000 5000.000 1410.000 41 5.05335676E+00 3.62904388E-02-1.54012992E-05 2.74341619E-09-1.74718602E-13 2 4.08326144E+03-2.55389509E+00-1.26548168E+00-3.61337863E-03 7.31803998E-05 3 -5.49845697E-08 1.20447492E-11 1.33108969E+04 5.33428723E+01 4 CCYCCC H 8C 4 G 298.150 2000.000 1000.00 1 3.30809027E+00 3.21789790E-02-1.44032621E-05 2.74967834E-09-1.37251143E-13 2 2.36991172E+02 5.49708116E+00-2.42295323E+00 4.78931182E-02-2.71594188E-05 3 4.04374801E-09 1.34174013E-12 1.74370161E+03 3.49485618E+01 4 C8H14 3/ 3/14 THERMC 8H 14 0 0G 300.000 5000.000 1399.000 51 2.29203266E+01 3.20125008E-02-1.08822474E-05 1.68246104E-09-9.73265832E-14 2 -1.06392292E+04-9.44672431E+01-2.27717869E+00 9.13003964E-02-6.43848164E-05 3 2.37297094E-08-3.59525314E-12-1.93948266E+03 4.06922073E+01 4 C8H13-A 3/ 3/14 THERMC 8H 13 0 0G 300.000 5000.000 1400.000 51 2.40347264E+01 2.89923869E-02-9.94435352E-06 1.54680099E-09-8.98595422E-14 2 7.21263594E+03-9.95798380E+01-4.02068904E+00 1.00123760E-01-8.04278607E-05 3 3.37900852E-08-5.77920085E-12 1.64036648E+04 4.91220751E+01 4 C8H13-S 3/ 3/14 THERMC 8H 13 0 0G 300.000 5000.000 1395.000 51 2.28866748E+01 3.01363379E-02-1.03766221E-05 1.61822155E-09-9.41785724E-14 2 6.14149138E+03-9.51928682E+01-2.90291074E+00 9.06903103E-02-6.51612688E-05 3 2.43888140E-08-3.76103838E-12 1.50890916E+04 4.32403068E+01 4 B13DE2M C 5H 8 0 0G 300.000 5000.000 1397.000 21 1.40757545E+01 1.82375566E-02-6.20747687E-06 9.60350919E-10-5.55741525E-14 2 2.40033881E+03-5.12988284E+01-4.72170009E-01 5.59413257E-02-4.50458826E-05 3 1.96181377E-08-3.52009647E-12 7.14960489E+03 2.56276807E+01 4 B13DE2MJ C 5H 7 0 0G 300.000 5000.000 1393.000 11 1.48413344E+01 1.52425753E-02-5.13559858E-06 7.89787260E-10-4.55353492E-14 2 2.02661570E+04-5.54474955E+01-8.98037227E-01 5.65174321E-02-4.76107829E-05 3 2.09672106E-08-3.73076319E-12 2.52881763E+04 2.74966602E+01 4 B1E2M3J 11/29/12 THERMC 5H 9 0 0G 300.000 5000.000 1388.000 21 1.43758957E+01 2.02496812E-02-6.84870397E-06 1.05566125E-09-6.09527548E-14 2 5.05561181E+03-5.34476860E+01-9.64635217E-01 5.40237239E-02-3.45005325E-05 3 1.10396749E-08-1.39812799E-12 1.05757115E+04 2.96499418E+01 4 B1E2M4J 11/29/12 THERMC 5H 9 0 0G 300.000 5000.000 1392.000 31 1.41319072E+01 1.97522538E-02-6.61481407E-06 1.01262907E-09-5.81819124E-14 2 1.33340810E+04-4.77089697E+01 8.79858678E-02 5.24815525E-02-3.59347901E-05 3 1.30596645E-08-1.97494095E-12 1.82306627E+04 2.77627940E+01 4 B1E3M3J 11/29/12 THERMC 5H 9 0 0G 300.000 5000.000 1383.000 31 1.42650128E+01 2.05588175E-02-7.09204485E-06 1.10751704E-09-6.45223366E-14 2 5.07988099E+03-5.35112916E+01-8.65992916E-01 5.17270209E-02-3.02467285E-05 3 8.32887965E-09-8.26876928E-13 1.07819674E+04 2.92843387E+01 4 B1E3MJ 11/29/12 THERMC 5H 9 0 0G 300.000 5000.000 1386.000 31 1.46790683E+01 1.91850584E-02-6.40675586E-06 9.79631743E-10-5.62627429E-14 2 1.34617177E+04-5.13695310E+01-7.70096190E-01 5.57843906E-02-3.99409164E-05 3 1.51540268E-08-2.38613286E-12 1.87888633E+04 3.14449409E+01 4 B1E3M3OJ C 5H 9O 1 0G 300.000 5000.000 1377.000 31 1.86974377E+01 1.84542537E-02-6.18682537E-06 9.48850967E-10-5.46203980E-14 2 -7.15897769E+03-7.26540429E+01 2.75614808E+00 5.20514036E-02-3.10966938E-05 3 8.25895065E-09-6.59917121E-13-1.35162741E+03 1.40990119E+01 4 B2E3M1OJ C 5H 9O 1 0G 300.000 5000.000 2003.000 31 1.35666458E+01 2.56547934E-02-9.37226256E-06 1.52518398E-09-9.15378763E-14 2 -3.58767067E+03-4.27272791E+01 5.64762692E+00 3.43609862E-02-5.60649548E-06 3 -5.19111402E-09 1.73155461E-12-6.65737793E+00 3.13825267E+00 4 B1E2M3OJ 12/ 3/12 THERMC 5H 9O 1 0G 300.000 5000.000 1381.000 31 1.73739881E+01 2.09818886E-02-7.35188344E-06 1.15992064E-09-6.80522502E-14 2 -5.65785635E+03-6.51368027E+01 7.98814481E-01 5.85332377E-02-4.11455904E-05 3 1.57264169E-08-2.59689897E-12 3.87691112E+02 2.45888033E+01 4 B2E2M1OJ C 5H 9O 1 0G 300.000 5000.000 2003.000 31 1.35666458E+01 2.56547934E-02-9.37226256E-06 1.52518398E-09-9.15378763E-14 2 -3.58767067E+03-4.27272791E+01 5.64762692E+00 3.43609862E-02-5.60649548E-06 3 -5.19111402E-09 1.73155461E-12-6.65737793E+00 3.13825267E+00 4 B12DE3M 11/12/12 THERMC 5H 8 0 0G 300.000 5000.000 1388.000 21 1.37093177E+01 1.85726726E-02-6.33115904E-06 9.80719059E-10-5.68099894E-14 2 8.59518752E+03-4.88749621E+01 1.27860173E+00 4.54917474E-02-2.82334169E-05 3 8.98449372E-09-1.17220042E-12 1.31637341E+04 1.87039373E+01 4 B12DE3MJ 11/12/12 THERMC 5H 7 0 0G 300.000 5000.000 1399.000 11 1.43509285E+01 1.58221494E-02-5.36433049E-06 8.27936849E-10-4.78387528E-14 2 2.67636999E+04-5.17040766E+01 3.04925771E-01 5.12308091E-02-4.02035053E-05 3 1.66460103E-08-2.81898161E-12 3.13829458E+04 2.28117716E+01 4 CC3H6 C 3H 6O 0 0G 200.000 6000.000 1000. 1 6.21663437E+00 1.65393591E-02-5.90075838E-06 9.48095199E-10-5.65661522E-14 2 2.95937491E+03-1.36041009E+01 2.83278674E+00-5.21028618E-03 9.29583210E-05 3 -1.22753194E-07 4.99191366E-11 5.19520048E+03 1.08306333E+01 6.41047999E+03 4 C2H3OOH 5/18/15 C 2H 4O 2 0G 300.000 5000.000 1396.000 21 1.14906377E+01 8.16429658E-03-2.83906824E-06 4.45808852E-10-2.60740827E-14 2 -8.80990966E+03-3.39069135E+01 1.49975181E+00 3.29730115E-02-2.66069676E-05 3 1.08635461E-08-1.78096703E-12-5.51305101E+03 1.91863207E+01 4 CHOCHO H 2C 2O 2 G 298.150 2000.000 1000.00 1 5.83474220E+00 1.28334772E-02-7.29548576E-06 1.88894738E-09-1.73153966E-13 2 -2.85837410E+04-5.19350281E+00 3.06805895E+00 1.26679747E-02 9.80112134E-06 3 -2.07410262E-08 8.29239831E-12-2.74687925E+04 1.09622034E+01 4 CHCHO H 2C 2O 1 G 298.150 2000.000 1000.00 1 4.92632910E+00 9.71712147E-03-5.54855980E-06 1.53068537E-09-1.64742462E-13 2 2.89499494E+04 5.27874677E-01 2.33256751E+00 1.62952986E-02-9.72052177E-06 3 5.15124155E-10 1.03836514E-12 2.96585452E+04 1.39904923E+01 4 C2H3OO H 3C 2O 2 G 298.150 2000.000 1000.00 1 6.04483828E+00 1.45511127E-02-7.50974622E-06 1.83488280E-09-1.66689681E-13 2 1.01699244E+04-3.71144913E+00 1.09784776E+00 2.95333237E-02-2.27744360E-05 3 7.20559155E-09-3.07929092E-13 1.13996101E+04 2.13563583E+01 4 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! C5 SPECIES BEGIN ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! NC5H12 9/ 8/14 C 5H 12 0 0G 300.000 5000.000 1393.000 41 1.58289132E+01 2.59344752E-02-8.83016276E-06 1.36654986E-09-7.91029283E-14 2 -2.59397429E+04-6.05558457E+01-2.99551806E-01 5.94963054E-02-3.41764359E-05 3 9.47896058E-09-9.73675086E-13-1.98959978E+04 2.75742132E+01 4 C5H11-1 9/ 8/14 C 5H 11 0 0G 300.000 5000.000 1394.000 41 1.51918481E+01 2.40339049E-02-8.19717624E-06 1.27002751E-09-7.35727956E-14 2 -8.02148517E+02-5.36479311E+01 9.83190194E-02 5.58653605E-02-3.28855625E-05 3 9.58366873E-09-1.08641370E-12 4.82065818E+03 2.86921367E+01 4 C5H11-2 9/ 8/14 C 5H 11 0 0G 300.000 5000.000 1395.000 41 1.47177050E+01 2.41667557E-02-8.18647646E-06 1.26271867E-09-7.29267957E-14 2 -2.26027771E+03-5.06071115E+01 8.17689455E-01 4.92653514E-02-2.13785619E-05 3 1.85532454E-09 7.06259101E-13 3.26221492E+03 2.65876082E+01 4 C5H11-3 9/ 8/14 C 5H 11 0 0G 300.000 5000.000 1395.000 41 1.47177050E+01 2.41667557E-02-8.18647646E-06 1.26271867E-09-7.29267957E-14 2 -2.26027771E+03-5.12965931E+01 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1.17106545E-08-1.63587278E-12-2.35149168E+04 2.32544951E+01 4 IC3H5COCH3 9/ 8/14 C 5H 8O 1 0G 300.000 5000.000 1392.000 31 1.49935813E+01 1.97788403E-02-6.78313207E-06 1.05481230E-09-6.12614698E-14 2 -2.60877929E+04-5.26202086E+01 1.54292407E+00 5.05432300E-02-3.42434122E-05 3 1.25252368E-08-1.95302231E-12-2.12702785E+04 1.99855884E+01 4 IC3H5COCH2 9/ 8/14 C 5H 7O 1 0G 300.000 5000.000 1394.000 31 1.62814836E+01 1.63492954E-02-5.64820836E-06 8.82756224E-10-5.14522209E-14 2 -4.28650692E+03-5.91075528E+01 1.42097745E+00 5.34336638E-02-4.21903633E-05 3 1.76937615E-08-3.06075290E-12 6.91082980E+02 1.99522060E+01 4 AC3H4COCH3 9/ 8/14 C 5H 7O 1 0G 300.000 5000.000 1384.000 21 1.60405803E+01 1.62938876E-02-5.49275040E-06 8.45442040E-10-4.87866397E-14 2 -8.30972832E+03-5.83003416E+01 9.48806278E-01 5.17869173E-02-3.74867620E-05 3 1.40294881E-08-2.14698694E-12-3.10553556E+03 2.26479362E+01 4 NEOC5H12 9/ 8/14 C 5H 12 0 0G 300.000 5000.000 1459.000 41 2.13410465E+01 2.32500105E-02-8.36387815E-06 1.34306692E-09-7.97752777E-14 2 -3.18056043E+04-1.00649903E+02 8.60482114E-01 4.63444251E-02 2.26557531E-06 3 -1.91739545E-08 6.07291520E-12-2.24020628E+04 1.78235950E+01 4 NEOC5H11 9/ 8/14 C 5H 11 0 0G 300.000 5000.000 1375.000 41 1.17983312E+01 3.59579648E-02-1.44108662E-05 2.46307665E-09-1.52118262E-13 2 -3.86101387E+03-4.41297337E+01 9.68072098E+00 7.07718151E-03 4.53301778E-05 3 -3.61952123E-08 8.06654396E-12 1.05116941E+03-1.94358274E+01 4 NEOC5H11O2H 9/8/14 C 5H 12O 2 0G 300.000 5000.000 2019.000 61 2.01975284E+01 2.97380281E-02-1.09930813E-05 1.80338361E-09-1.08851734E-13 2 -3.95165952E+04-8.23753662E+01 3.55225748E-01 6.91131421E-02-3.61242956E-05 3 6.97537323E-09-9.54855674E-14-3.23388889E+04 2.61109340E+01 4 NEOC5H11O2 9/8/14 C 5H 11O 2 0G 300.000 5000.000 1682.000 51 1.93713105E+01 2.82612571E-02-1.04670110E-05 1.71917414E-09-1.03854375E-13 2 -2.23544131E+04-7.71662358E+01 1.08144664E+00 6.33534647E-02-3.11938784E-05 3 4.88883786E-09 2.48584189E-13-1.56455031E+04 2.32475108E+01 4 NEOC5H10OOH 9/8/14 C 5H 11O 2 0G 300.000 5000.000 1686.000 61 1.98216577E+01 2.74351153E-02-1.01763800E-05 1.67311287E-09-1.01142157E-13 2 -1.44846637E+04-7.65499851E+01 7.26388728E-01 6.54763558E-02-3.46433563E-05 3 6.82220142E-09-1.22217205E-13-7.61522056E+03 2.77840799E+01 4 NEOC5H11O 9/ 8/14 C 5H 11O 1 0G 300.000 5000.000 1374.000 41 1.47920426E+01 3.60239861E-02-1.44548775E-05 2.47285304E-09-1.52828569E-13 2 -2.12880602E+04-5.86605592E+01 1.11399567E+01 9.95551445E-03 4.37547263E-05 3 -3.60663886E-08 8.13722634E-12-1.57739963E+04-2.54644054E+01 4 NEO-C5H10O 9/ 8/14 C 5H 10O 1 0G 300.000 5000.000 1465.000 21 1.88696363E+01 2.18446364E-02-7.48656898E-06 1.16574180E-09-6.78305009E-14 2 -2.76538327E+04-8.33848438E+01-5.80125483E+00 7.19986445E-02-4.12060995E-05 3 8.52947622E-09 2.15532151E-14-1.85918283E+04 5.13449073E+01 4 NEOC5H10OOH-O2 914 C 5H 11O 4 0G 300.000 5000.000 2038.000 71 2.43460937E+01 2.84840536E-02-1.05961421E-05 1.74545495E-09-1.05654571E-13 2 -3.35348323E+04-9.58566184E+01 2.12490773E+00 7.51548100E-02-4.39349794E-05 3 1.09212325E-08-8.06703541E-13-2.57458785E+04 2.47165260E+01 4 NEOC5H9Q2 9/ 8/14 C 5H 11O 4 0G 300.000 5000.000 2050.000 81 2.48112747E+01 2.76461534E-02-1.03017544E-05 1.69884890E-09-1.02912689E-13 2 -2.56663214E+04-9.64118626E+01 1.90419491E+00 7.68023849E-02-4.67666506E-05 3 1.25175307E-08-1.11211508E-12-1.77393477E+04 2.75076242E+01 4 NEOC5KET 9/ 8/14 C 5H 10O 3 0G 300.000 5000.000 1396.000 61 2.11457411E+01 2.34263362E-02-8.03514708E-06 1.24990645E-09-7.26173329E-14 2 -4.99812693E+04-8.04502172E+01 1.99299705E+00 6.63799852E-02-4.41434233E-05 3 1.47656228E-08-1.97164356E-12-4.31727732E+04 2.30090729E+01 4 NEOC5KETOX 9/ 8/14 C 5H 9O 2 0G 300.000 5000.000 1677.000 41 1.62834087E+01 2.47667618E-02-8.89982283E-06 1.43325482E-09-8.54232652E-14 2 -2.99100005E+04-5.60198008E+01 3.76958673E+00 4.84037082E-02-2.22215659E-05 3 2.98251470E-09 2.98064950E-13-2.52993970E+04 1.27918996E+01 4 NEOC5KEJOL 9/ 8/14 C 5H 9O 2 0G 300.000 5000.000 1402.000 51 1.78858167E+01 2.12423369E-02-7.21947714E-06 1.11609095E-09-6.45625691E-14 2 -3.87680922E+04-6.36233643E+01 1.30298806E+00 5.84132694E-02-3.81961088E-05 3 1.24622441E-08-1.59437417E-12-3.28976593E+04 2.59154966E+01 4 IC4H6Q2-II 9/ 8/14 C 4H 8O 4 0G 300.000 5000.000 1386.000 61 2.50360805E+01 1.60230197E-02-5.70704966E-06 9.10412038E-10-5.38294659E-14 2 -2.84196401E+04-9.67186452E+01 2.16408482E-01 8.25572149E-02-7.64540445E-05 3 3.58211787E-08-6.67718658E-12-2.05694845E+04 3.36943223E+01 4 NEOC5H9O-OOH 9/14 C 5H 10O 3 0G 300.000 5000.000 1429.000 41 2.34301312E+01 2.26473800E-02-7.84730788E-06 1.22994662E-09-7.18633905E-14 2 -3.86378493E+04-1.00093171E+02-4.33879286E+00 8.23095013E-02-5.24634537E-05 3 1.40859094E-08-1.00626405E-12-2.87630624E+04 5.04065995E+01 4 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! ! C5 SPECIES END ! ! ! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! END