!VERSION: ARAMCOMECH 1.3 C4 !AUTHORS: W. K. METCALFE, S. BURKE, H. J. CURRAN !WEBSITE: http://c3.nuigalway.ie/ 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 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 HOCH2O2H 4/ 9/98 THERMC 1H 4O 3 0G 300.000 5000.000 1422.000 31 1.16303827E+01 7.15133688E-03-2.39035030E-06 3.65772791E-10-2.10199524E-14 2 -4.31079242E+04-3.24276725E+01 1.85716693E+00 3.23153132E-02-2.69928902E-05 3 1.11694484E-08-1.81284103E-12-4.00314471E+04 1.90917729E+01 4 HOCH2O2 4/ 9/98 THERMC 1H 3O 3 0G 300.000 5000.000 1412.000 21 9.04545938E+00 7.15223373E-03-2.37005676E-06 3.60083481E-10-2.05750228E-14 2 -2.49414886E+04-1.74210530E+01 2.85441621E+00 2.33663535E-02-1.88115990E-05 3 7.96709515E-09-1.36346618E-12-2.29866196E+04 1.51730565E+01 4 OCH2O2H 4/ 9/98 THERMC 1H 3O 3 0G 300.000 5000.000 1420.000 21 1.15398246E+01 5.34291432E-03-1.81878917E-06 2.81968625E-10-1.63584348E-14 2 -1.68237489E+04-3.20700633E+01 1.93823075E+00 3.01465730E-02-2.61053152E-05 3 1.09463562E-08-1.78312692E-12-1.38166625E+04 1.85042002E+01 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 300.00 5000.00 1000.00 1 4.80390863E+00 9.95844638E-03-3.85301026E-06 6.84740497E-10-4.58402955E-14 2 -7.47135460E+02 1.45281400E+00 3.62497097E+00 3.59397933E-03 2.26538097E-05 3 -2.95391947E-08 1.11977570E-11 7.93040410E+01 9.96382194E+00 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 300.000 5000.000 1391.000 01 6.60179400E+00 5.23168519E-03-1.79376283E-06 2.82183642E-10-1.65610107E-14 2 -8.61085819E+03-1.13932316E+01 1.65982341E+00 1.74426787E-02-1.35629541E-05 3 5.53065784E-09-9.24027432E-13-6.95849922E+03 1.49168757E+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 ATCT AC 3 H 6 O 1 0 G 200.000 6000.00 1000.00 1 7.29796974E+00 1.75656913E-02-6.31678065E-06 1.02025553E-09-6.10903592E-14 2 -2.95368927E+04-1.27591704E+01 5.55638920E+00-2.83863547E-03 7.05722951E-05 3 -8.78130984E-08 3.40290951E-11-2.78325393E+04 2.31960221E+00-2.58360384E+04 4 CH3COCH2 A10/04C 3 H 5 O 1 0 G 200.000 6000.00 1000.00 1 7.54410697E+00 1.43443222E-02-5.08381081E-06 8.13200521E-10-4.83673315E-14 2 -7.48672286E+03-1.14792587E+01 4.70187196E+00 5.51653762E-03 4.27505858E-05 3 -5.94680816E-08 2.40685378E-11-5.92845491E+03 7.12932590E+00-4.00985747E+03 4 CH3COCH2O2 2/14/95 C 3H 5O 3 0G 300.000 5000.000 1379.00 31 1.27690342E+01 1.42554828E-02-4.92821461E-06 7.70448921E-10-4.49110534E-14 2 -2.34798669E+04-3.27155799E+01 5.95535468E+00 2.70255205E-02-1.37385031E-05 3 3.53735851E-09-4.03922557E-13-2.06679464E+04 5.21436049E+00 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 4/ 3/ 0 THERMC 3H 5O 2 0G 300.000 5000.000 1370.000 21 1.14637586E+01 1.32124342E-02-4.56580495E-06 7.13897538E-10-4.16281047E-14 2 -2.23833017E+04-3.15127868E+01 3.72927689E+00 2.63943697E-02-1.09796486E-05 3 8.58185303E-10 3.39474590E-13-1.91551565E+04 1.18505335E+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 CH3OCH3 1/20/11 C 2H 6O 1 0G 300.000 5000.000 1367.000 21 7.36358679E+00 1.38910153E-02-4.74083257E-06 7.34874498E-10-4.25867578E-14 2 -2.61148074E+04-1.61332876E+01 2.41860337E+00 1.87279640E-02-1.40894592E-06 3 -4.28367822E-09 1.36818123E-12-2.36771735E+04 1.28877967E+01 4 CH3OCH2 1/20/11 C 2H 5O 1 0G 300.000 5000.000 1389.000 21 6.73134670E+00 1.18022530E-02-4.00104434E-06 6.17227325E-10-3.56435023E-14 2 -3.34933412E+03-9.40782513E+00 2.19172957E+00 1.90390966E-02-6.81450700E-06 3 8.63577609E-11 3.23902492E-13-1.38948253E+03 1.62440756E+01 4 CH3OCH2O2 1/20/11 C 2H 5O 3 0G 300.000 5000.000 1399.000 31 1.22024149E+01 1.19225104E-02-4.06624713E-06 6.30079576E-10-3.65065312E-14 2 -2.40327175E+04-3.38665462E+01 1.72101041E+00 3.78155492E-02-2.89668870E-05 3 1.16796117E-08-1.93234479E-12-2.05308597E+04 2.19296296E+01 4 CH2OCH2O2H 1/20/11 C 2H 5O 3 0G 300.000 5000.000 1419.000 41 1.51031233E+01 9.18263324E-03-3.15895361E-06 4.92789411E-10-2.87001298E-14 2 -1.96611854E+04-4.85172618E+01 9.08332173E-01 4.47997444E-02-3.69441578E-05 3 1.48366604E-08-2.32279459E-12-1.50992319E+04 2.66419885E+01 4 CH3OCH2O2H 1/20/11 C 2H 6O 3 0G 300.000 5000.000 1402.000 41 1.46617126E+01 1.20544674E-02-4.13604704E-06 6.43721637E-10-3.74188832E-14 2 -4.18896186E+04-4.81293252E+01 7.37369081E-01 4.67410003E-02-3.73051936E-05 3 1.50735309E-08-2.43781978E-12-3.73260287E+04 2.57932851E+01 4 CH3OCH2O 2/ 9/96 THERMC 2H 5O 2 0G 300.000 5000.000 2012.000 21 8.60261845E+00 1.35772195E-02-4.84661602E-06 7.77766193E-10-4.62633624E-14 2 -2.13762444E+04-1.75775023E+01 3.25889339E+00 2.22146359E-02-7.78556340E-06 3 -2.41484158E-10 4.51914496E-13-1.92377212E+04 1.23680069E+01 4 O2CH2OCH2O2H 1/20/11 C 2H 5O 5 0G 300.000 5000.000 1411.000 51 1.96207800E+01 9.96131702E-03-3.41480475E-06 5.31364852E-10-3.08902100E-14 2 -3.98679641E+04-6.72721405E+01-1.22579809E-01 6.64376755E-02-6.55340609E-05 3 3.13441786E-08-5.79042960E-12-3.41530358E+04 3.49112501E+01 4 HO2CH2OCHO 1/20/11 C 2H 4O 4 0G 300.000 5000.000 1428.000 41 1.78528337E+01 7.54042388E-03-2.74895624E-06 4.45343367E-10-2.66154007E-14 2 -6.41380252E+04-6.47357373E+01 5.15432996E-01 4.76081860E-02-3.63877925E-05 3 1.24225089E-08-1.50813145E-12-5.82730214E+04 2.81992694E+01 4 OCH2OCHO 1/20/11 C 2H 3O 3 0G 300.000 5000.000 1426.000 21 1.24378042E+01 7.82259106E-03-2.82874305E-06 4.55808935E-10-2.71391601E-14 2 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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 T05/09C 4 H 8 0 0 G 200.000 6000.00 1000.00 1 8.94232121E+00 2.12900129E-02-7.61851464E-06 1.22641473E-09-7.32634442E-14 2 -6.67292929E+03-2.46775148E+01 3.30612340E+00 1.33377057E-02 5.65726066E-05 3 -8.46898088E-08 3.52403438E-11-4.04128388E+03 9.92304633E+00-2.11365432E+03 4 IC4H7 T05/04C 4 H 7 0 0 G 200.000 6000.00 1000.00 1 8.34970451E+00 1.92508033E-02-6.81360221E-06 1.08484853E-09-6.42422082E-14 2 1.24406647E+04-1.87060633E+01 2.38739541E+00 2.06784631E-02 2.89299685E-05 3 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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 4/ 8/97 THERMC 4H 8O 1 0G 300.000 5000.000 1384.000 31 1.35043419E+01 1.78646968E-02-5.99304371E-06 9.18717641E-10-5.28435302E-14 2 -2.58255688E+04-4.44645715E+01 1.69099899E+00 4.27168891E-02-2.49281695E-05 3 7.00961522E-09-7.23262828E-13-2.14512334E+04 1.99500833E+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 7/19/95 THERMC 4H 6O 1 0G 300.000 5000.000 1396.000 21 1.36203958E+01 1.37917192E-02-4.73370118E-06 7.36655226E-10-4.20097974E-14 2 -2.00025274E+04-4.73184531E+01 6.27183793E-01 4.66780254E-02-3.74430631E-05 3 1.58330542E-08-2.73952155E-12-1.57203117E+04 2.16034294E+01 4 IC3H5CO 4/ 3/ 0 THERMC 4H 5O 1 0G 300.000 5000.000 1397.000 21 1.30667437E+01 1.16704244E-02-3.99106523E-06 6.19498148E-10-3.59348249E-14 2 -3.36519344E+03-4.35803090E+01 1.85097069E+00 4.18855846E-02-3.62553731E-05 3 1.65690659E-08-3.05850846E-12 1.70381441E+02 1.53014433E+01 4 IC4H7OOH 7/19/95 THERMC 4H 8O 2 0G 300.000 5000.000 1392.00 41 1.69234564E+01 1.78396769E-02-6.14273279E-06 9.57895028E-10-5.57438304E-14 2 -2.00040686E+04-5.94746070E+01 2.99117402E+00 5.03349278E-02-3.56280061E-05 3 1.33952154E-08-2.11053409E-12-1.51095046E+04 1.54537413E+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 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 2.38219630E+01 1.91411448E-02-6.67919154E-06 1.05127303E-09-6.15876805E-14 2 -3.23093973E+04-9.42580755E+01 1.82607262E+00 6.93466111E-02-4.93125140E-05 3 1.69848340E-08-2.26117657E-12-2.46578311E+04 2.41167544E+01 4 C3H5OH T06/10C 3 H 6 O 1 0 G 200.000 6000.00 1000.00 1 8.72477114E+00 1.63942712E-02-5.90852993E-06 9.53262253E-10-5.70318010E-14 2 -1.90496618E+04-1.97198674E+01 3.15011905E+00 1.28538274E-02 4.28438434E-05 3 -6.67818707E-08 2.80408237E-11-1.66413668E+04 1.35066359E+01-1.48710589E+04 4 TIC4H7Q2-I 5/ 6/96 THERMC 4H 9O 4 0G 300.000 5000.000 1400.000 71 2.33848631E+01 1.87070035E-02-6.44021945E-06 1.00428123E-09-5.84468189E-14 2 -2.61180902E+04-8.76610135E+01 4.48426361E+00 6.61225007E-02-5.27349018E-05 3 2.18215585E-08-3.66788946E-12-1.98906586E+04 1.26719614E+01 4 IIC4H7Q2-I 7/15/96 THERMC 4H 9O 4 0G 300.000 5000.000 1394.000 71 2.30500244E+01 1.92149194E-02-6.66622576E-06 1.04495725E-09-6.10370520E-14 2 -2.32086881E+04-8.39949885E+01 4.93055661E+00 6.05819201E-02-4.23665566E-05 3 1.49122008E-08-2.10978665E-12-1.68415495E+04 1.36228018E+01 4 IIC4H7Q2-T 7/15/96 THERMC 4H 9O 4 0G 300.000 5000.000 1377.000 71 2.15070321E+01 2.05359839E-02-7.12383399E-06 1.11655053E-09-6.52112103E-14 2 -2.51117508E+04-7.43379783E+01 8.16274487E+00 4.34463050E-02-1.76972456E-05 3 4.88790666E-10 9.03915465E-13-1.96501749E+04 2.62067299E-01 4 IIC4H7Q2-T 7/15/96 THERMC 4H 9O 4 0G 300.000 5000.000 1377.000 71 1.59247008E+01 2.59703101E-02-8.86821278E-06 1.37514707E-09-7.97105419E-14 2 -2.60824218E+04-6.16997349E+01-1.67881131E+00 6.41231428E-02-3.96458285E-05 3 1.23445155E-08-1.53325385E-12-1.96474971E+04 3.39348804E+01 4 C5H11-1 8/26/12 C 5H 11 0 0G 300.000 5000.000 1388.000 41 1.53651225E+01 2.42905756E-02-8.37500700E-06 1.30708059E-09-7.61062254E-14 2 -7.96984064E+02-5.51456602E+01-3.28518887E-01 5.73740687E-02-3.45622570E-05 3 1.06550981E-08-1.36182967E-12 5.11009538E+03 3.05737882E+01 4 C5H11-2 8/26/12 C 5H 11 0 0G 300.000 5000.000 1389.000 41 1.49269509E+01 2.45505750E-02-8.44033262E-06 1.31477729E-09-7.64544033E-14 2 -2.25446647E+03-5.23093796E+01-7.43804386E-01 5.63967863E-02-3.17173658E-05 3 8.41850668E-09-7.99507437E-13 3.72139256E+03 3.36368332E+01 4 C5H11-3 8/26/12 C 5H 11 0 0G 300.000 5000.000 1389.000 41 1.49269509E+01 2.45505750E-02-8.44033262E-06 1.31477729E-09-7.64544033E-14 2 -2.25446647E+03-5.29988612E+01-7.43804386E-01 5.63967863E-02-3.17173658E-05 3 8.41850668E-09-7.99507437E-13 3.72139256E+03 3.29473516E+01 4 C5H81-3 3/27/97 THERMC 5H 8 0 0G 300.000 5000.000 1396.000 21 1.45574490E+01 1.80939266E-02-6.21671892E-06 9.67920254E-10-5.62629326E-14 2 1.22365462E+03-5.43889766E+01-2.32617433E+00 6.38696042E-02-5.57052591E-05 3 2.58049480E-08-4.83405924E-12 6.55183321E+03 3.42036513E+01 4 C5H10-1 9/ 1/12 C 5H 10 0 0G 300.000 5000.000 1396.000 31 1.44098998E+01 2.26138537E-02-7.71567509E-06 1.19571228E-09-6.92789930E-14 2 -1.00010574E+04-5.15399538E+01-9.44396392E-01 5.68704795E-02-3.67439266E-05 3 1.23594281E-08-1.71986028E-12-4.47154633E+03 3.15526141E+01 4 C5H10-2 9/ 1/12 C 5H 10 0 0G 300.000 5000.000 1381.000 31 1.48004285E+01 2.15871016E-02-7.22534430E-06 1.10633856E-09-6.35966142E-14 2 -1.14865265E+04-5.41488445E+01-4.91448676E-01 5.36242483E-02-3.12810279E-05 3 8.57199815E-09-8.15860099E-13-5.83215050E+03 2.92454905E+01 4 1C5H91-3 9/ 1/12 C 5H 9 0 0G 300.000 5000.000 1396.000 21 1.40081960E+01 2.09267063E-02-7.15528659E-06 1.11053358E-09-6.44135476E-14 2 -3.32164559E+04-5.06056620E+01-1.23771006E+00 5.51220954E-02-3.61914162E-05 3 1.22436788E-08-1.69512209E-12-2.77634901E+04 3.18040307E+01 4 C5H91-4 9/ 1/12 C 5H 9 0 0G 300.000 5000.000 1397.000 31 1.30317995E+01 2.11397063E-02-7.18541324E-06 1.11064457E-09-6.42317673E-14 2 1.37969452E+04-4.07010872E+01 4.34968883E-02 4.89527215E-02-2.92918964E-05 3 8.84634229E-09-1.06552108E-12 1.85915504E+04 3.00013194E+01 4 C5H9-5 9/ 1/12 C 5H 9 0 0G 300.000 5000.000 1400.000 31 1.37204827E+01 2.04896858E-02-6.94613752E-06 1.07167586E-09-6.18955756E-14 2 1.53444932E+04-4.46188067E+01-1.94334279E-01 5.36496542E-02-3.77721740E-05 3 1.43750586E-08-2.29911391E-12 2.01539066E+04 2.99493171E+01 4 C5H92-4 9/ 1/12 C 5H 9 0 0G 300.000 5000.000 1378.000 21 1.44533170E+01 1.98353685E-02-6.64108103E-06 1.01744524E-09-5.85206316E-14 2 -3.47319959E+04-5.35393323E+01-7.78565840E-01 5.18142979E-02-3.05970173E-05 3 8.36378780E-09-7.70804084E-13-2.91241940E+04 2.94748899E+01 4 C5H92-5 9/ 1/12 C 5H 9 0 0G 300.000 5000.000 1384.000 31 1.42281934E+01 1.93212317E-02-6.40142673E-06 9.73523527E-10-5.56986931E-14 2 1.38021278E+04-4.79074581E+01 2.10752536E-01 5.05823175E-02-3.24762808E-05 3 1.06441294E-08-1.40196726E-12 1.88009879E+04 2.78735182E+01 4 C5H9O1-3 4/ 7/97 THERMC 5H 9O 1 0G 300.000 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6.01320166E-02-2.12072490E-05 3 -4.91313274E-09 3.07577547E-12-2.91028862E+04 3.64698785E+01 4 C5H10O2-3 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1385.000 61 1.89379846E+01 2.10434849E-02-7.40107577E-06 1.17069402E-09-6.88106356E-14 2 -2.76228814E+04-7.74017673E+01-3.03891874E+00 7.46406721E-02-5.91275018E-05 3 2.46307903E-08-4.24312686E-12-2.01088998E+04 4.00106761E+01 4 C5H10O2-4 1/22/95 THERMC 5H 10O 1 0G 300.000 5000.000 1376.000 61 1.91186278E+01 2.12169126E-02-7.53764833E-06 1.20035780E-09-7.08866585E-14 2 -2.85216189E+04-8.03408390E+01-3.50702064E+00 7.13707278E-02-4.99483546E-05 3 1.76515898E-08-2.56653255E-12-2.03198734E+04 4.22612571E+01 4 C5H10OOH1-2O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 71 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 2 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 3 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 4 C5H10OOH1-3O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 71 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 2 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 3 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 4 C5H10OOH1-4O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 71 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 2 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 3 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 4 C5H10OOH1-5O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1385.000 71 2.48666576E+01 2.56688838E-02-8.97169324E-06 1.41315614E-09-8.28158711E-14 2 -3.21479218E+04-9.51211738E+01 2.81997434E+00 7.72690504E-02-5.67282509E-05 3 2.23236523E-08-3.71501383E-12-2.43447483E+04 2.35135259E+01 4 C5H10OOH2-1O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 71 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 2 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 3 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 4 C5H10OOH2-3O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1389.000 71 2.62850175E+01 2.43678422E-02-8.50101950E-06 1.33736519E-09-7.83075048E-14 2 -3.71537284E+04-1.03435286E+02 2.08935173E+00 8.57156954E-02-7.04986902E-05 3 3.07497216E-08-5.51132533E-12-2.90970365E+04 2.50297599E+01 4 C5H10OOH2-4O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1389.000 71 2.62850175E+01 2.43678422E-02-8.50101950E-06 1.33736519E-09-7.83075048E-14 2 -3.71537284E+04-1.03435286E+02 2.08935173E+00 8.57156954E-02-7.04986902E-05 3 3.07497216E-08-5.51132533E-12-2.90970365E+04 2.50297599E+01 4 C5H10OOH2-5O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 71 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 2 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 3 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 4 C5H10OOH3-1O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1387.000 71 2.55478814E+01 2.50385111E-02-8.74243938E-06 1.37611416E-09-8.06073182E-14 2 -3.46345151E+04-9.91022020E+01 2.53072834E+00 8.12167401E-02-6.33054798E-05 3 2.63900700E-08-4.58739612E-12-2.67337637E+04 2.39105049E+01 4 C5H10OOH3-2O2 7/19/ 0 TMC 5H 11O 4 0G 300.000 5000.000 1389.000 71 2.62850175E+01 2.43678422E-02-8.50101950E-06 1.33736519E-09-7.83075048E-14 2 -3.71537284E+04-1.03435286E+02 2.08935173E+00 8.57156954E-02-7.04986902E-05 3 3.07497216E-08-5.51132533E-12-2.90970365E+04 2.50297599E+01 4 NC5KET12 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1389.000 61 2.34427049E+01 2.21540692E-02-7.74817880E-06 1.22107095E-09-7.15883644E-14 2 -4.99350593E+04-9.09970812E+01 5.64845658E-01 7.74889690E-02-6.00818427E-05 3 2.42432817E-08-4.02329880E-12-4.21262314E+04 3.12910774E+01 4 NC5KET13 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 61 2.27897549E+01 2.26387719E-02-7.89832354E-06 1.24260309E-09-7.27609759E-14 2 -5.00526193E+04-8.71676166E+01 2.53945153E+00 7.08645319E-02-5.32266350E-05 3 2.12906293E-08-3.56676536E-12-4.29988725E+04 2.14543054E+01 4 NC5KET14 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 61 2.27897549E+01 2.26387719E-02-7.89832354E-06 1.24260309E-09-7.27609759E-14 2 -5.00526193E+04-8.71676166E+01 2.53945153E+00 7.08645319E-02-5.32266350E-05 3 2.12906293E-08-3.56676536E-12-4.29988725E+04 2.14543054E+01 4 NC5KET15 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1383.000 61 2.21776239E+01 2.31939864E-02-8.09797899E-06 1.27464047E-09-7.46625107E-14 2 -4.75611599E+04-8.35091033E+01 3.22565144E+00 6.57620962E-02-4.52752542E-05 3 1.64810866E-08-2.54467139E-12-4.06876266E+04 1.90851234E+01 4 NC5KET21 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1379.000 61 2.17534680E+01 2.36666119E-02-8.28610759E-06 1.30663620E-09-7.66324076E-14 2 -5.12815467E+04-8.09340957E+01 4.56687437E+00 6.01978739E-02-3.82935508E-05 3 1.29220662E-08-1.89791227E-12-4.47703435E+04 1.29580830E+01 4 NC5KET23 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 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6.64310592E-02-4.75232545E-05 3 1.85573234E-08-3.11995924E-12-4.46228757E+04 1.89760116E+01 4 NC5KET32 7/19/ 0 THERMC 5H 10O 3 0G 300.000 5000.000 1387.000 61 2.29536744E+01 2.26192649E-02-7.91922638E-06 1.24883440E-09-7.32467701E-14 2 -5.36792159E+04-8.86117968E+01 7.24497110E-01 7.71622935E-02-6.10369902E-05 3 2.55909432E-08-4.44696298E-12-4.60989830E+04 3.00522534E+01 4 C5H10OH-1 1/14/99 THERMC 5H 11O 1 0G 300.000 5000.000 1371.000 51 1.75642279E+01 2.33577469E-02-7.81503517E-06 1.19674654E-09-6.88114207E-14 2 -2.11605652E+04-6.19821034E+01 9.51873649E-01 5.58286144E-02-2.87750953E-05 3 5.54684921E-09 1.10578801E-14-1.48168651E+04 2.93877119E+01 4 C5H10OH-2 1/14/99 THERMC 5H 11O 1 0G 300.000 5000.000 1390.000 51 1.72742775E+01 2.39409708E-02-8.07388576E-06 1.24188426E-09-7.15926603E-14 2 -2.31054055E+04-6.11106423E+01 4.68530877E-01 6.05595171E-02-3.75900684E-05 3 1.16488887E-08-1.41506375E-12-1.70158316E+04 3.00652481E+01 4 O2C5H10OH-1 1/14/99 THRMC 5H 11O 3 0G 300.000 5000.000 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6.09216456E-02-4.47292952E-05 3 1.77756829E-08-2.95693412E-12 3.62924888E+04 3.28081912E+01 4 C6H9-S 12/ 5/12 THERMC 6H 9 0 0G 300.000 5000.000 1396.000 31 1.62958005E+01 2.11783659E-02-7.25674435E-06 1.12780699E-09-6.54746480E-14 2 3.20417675E+04-5.73406449E+01-6.12878674E-01 6.32013662E-02-4.85579869E-05 3 2.01072289E-08-3.46242218E-12 3.77343371E+04 3.26952798E+01 4 C6H9-A 12/ 5/12 THERMC 6H 9 0 0G 300.000 5000.000 1400.000 21 1.70842767E+01 2.08842788E-02-7.14529004E-06 1.10943563E-09-6.43676989E-14 2 2.01040204E+04-6.39326012E+01-2.66715213E+00 7.26196475E-02-6.05323920E-05 3 2.66000571E-08-4.74613408E-12 2.64415017E+04 4.02220332E+01 4 C6H9O-2 12/ 5/12 THERMC 6H 9O 1 0G 300.000 5000.000 1381.000 41 1.99353187E+01 2.10902650E-02-7.42714919E-06 1.17580440E-09-6.91504434E-14 2 7.67409302E+03-7.62069031E+01-7.85602487E-02 6.81070170E-02-5.11911414E-05 3 2.04828658E-08-3.45141659E-12 1.47423639E+04 3.14323712E+01 4 C6H6 G 6/01C 6H 6 0 0G 200.000 6000.000 1000.000 1 1.10809576E+01 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1.36774582E-02-4.88993888E-06 7.81986154E-10-4.63144942E-14 2 1.13714894E+04-4.11767591E+01 2.34411768E+00 2.27019178E-02 2.71441556E-06 3 -1.01525890E-08 3.05010094E-12 1.59213397E+04 1.39603990E+01 4 C4H6O23 T 3/97C 4H 6O 1 0G 200.000 5000.000 1000.0 1 8.60658242E+00 2.08310051E-02-8.42229481E-06 1.56717640E-09-1.09391202E-13 2 -1.32392815E+04-2.32464750E+01 2.67053463E+00 4.92586420E-03 8.86967406E-05 3 -1.26219194E-07 5.23991321E-11-1.02787872E+04 1.45722395E+01-1.30831522E+04 4 CH3CHCHCHO T 5/92C 4H 6O 1 0G 298.150 3000.0 1000.0 1 1.98794540E+01-2.09130550E-02 4.45360508E-05-2.60374870E-08 4.86836120E-12 2 -1.95278768E+04-6.87200320E+01-1.55577660E+00 4.09640630E-02-1.69868810E-05 3 -6.00928140E-18 2.31368530E-21-1.41394920E+04 3.74707580E+01-1.29340710E+04 4 C4H4O T03/97C 4H 4O 1 0G 200.000 6000.0 1000.0 1 9.38935003E+00 1.40291241E-02-5.07755110E-06 8.24137332E-10-4.95319963E-14 2 -8.68241814E+03-2.79162920E+01 8.47469463E-01 1.31773796E-02 5.99735901E-05 3 -9.71562904E-08 4.22733796E-11-5.36785445E+03 2.14945172E+01-4.17166616E+03 4 H2CC L12/89H 2C 2 0 0G 200.000 6000.000 1000.000 1 0.42780340E+01 0.47562804E-02-0.16301009E-05 0.25462806E-09-0.14886379E-13 2 0.48316688E+05 0.64023701E+00 0.32815483E+01 0.69764791E-02-0.23855244E-05 3 -0.12104432E-08 0.98189545E-12 0.48621794E+05 0.59203910E+01 0.49887266E+05 4 H2C4O 120189H 2C 4O 1 G 0300.00 4000.00 1000.00 1 0.01026888E+03 0.04896164E-01-0.04885081E-05-0.02708566E-08 0.05107013E-12 2 0.02346903E+06-0.02815985E+03 0.04810971E+02 0.01313999E+00 0.09865073E-05 3 -0.06120720E-07 0.01640003E-10 0.02545803E+06 0.02113424E+02 4 C6H2 P 1/93C 6H 2 0 0G 300.000 3000.00 1000.00 1 0.13226281E+02 0.73904302E-02-0.22715381E-05 0.25875217E-09-0.55356741E-14 2 0.80565258E+05-0.41201176E+02-0.15932624E+01 0.80530145E-01-0.14800649E-03 3 0.13300031E-06-0.45332313E-10 0.83273227E+05 0.27980873E+02 4 C6H3 H6W/94C 6H 3 0 0G 300.000 3000.00 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 L-C6H4 H6W/94C 6H 4 0 0G 300.000 3000.00 1000.00 1 0.12715182E+02 0.13839662E-01-0.43765440E-05 0.31541636E-09 0.46619026E-13 2 0.57031148E+05-0.39464600E+02 0.29590225E+00 0.58053318E-01-0.67766756E-04 3 0.43376762E-07-0.11418864E-10 0.60001371E+05 0.22318970E+02 4 C-C6H4 H6W/94C 6H 4 0 0G 300.000 3000.00 1000.00 1 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4 C6H5OH L 4/84C 6H 6O 1 0G 300.000 5000.000 1000. 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+02-0.11594207E+05 4 C6H5O T05/02C 6H 5O 1 0G 200.000 6000.000 1000. 1 1.37221720E+01 1.74688771E-02-6.35504520E-06 1.03492308E-09-6.23410504E-14 2 2.87274751E+02-4.88181680E+01-4.66204455E-01 4.13443975E-02 1.32412991E-05 3 -5.72872769E-08 2.89763707E-11 4.77858391E+03 2.76990274E+01 6.49467016E+03 4 P-C6H4O2 AK0405C 6H 4O 2 0G 270.000 3000.000 1370.00 1 1.23423732E+01 2.40612690E-02-1.16565184E-05 2.71393504E-09-2.47643065E-13 2 -2.06185312E+04-4.08244024E+01-2.43170113E+00 6.87937608E-02-6.41382837E-05 3 3.08126855E-08-5.99832072E-12-1.65696994E+04 3.48309430E+01 4 P-C6H3O2 AK0505C 6H 3O 2 0G 270.000 3000.000 1290.00 1 1.22963699E+01 2.15055142E-02-1.07516136E-05 2.57528163E-09-2.41023652E-13 2 1.15428998E+04-3.72584002E+01-1.57852347E+00 6.55376473E-02-6.50308721E-05 3 3.32026554E-08-6.86665555E-12 1.51750093E+04 3.31518638E+01 4 O-C6H4O2 AK0405C 6H 4O 2 0G 270.000 3000.000 1370.00 1 1.23614349E+01 2.40491397E-02-1.16529057E-05 2.71332785E-09-2.47593219E-13 2 -1.67079717E+04-4.00310857E+01-2.36179712E+00 6.86058343E-02-6.39129516E-05 3 3.06903009E-08-5.97357785E-12-1.26704431E+04 3.53724482E+01 4 C5H5 TAK0505C 5H 5 0 0G 298.150 3500.000 969.35 1 1.33675715E+00 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 300.00 5000.00 1000.00 1 6.81339897E+00 8.05827723E-03-3.11728612E-06 5.54590896E-10-3.71804255E-14 2 1.31583034E+04-1.09863525E+01 5.62397968E-01 2.64598620E-02-2.28453705E-05 3 9.14478695E-09-1.06711936E-12 1.48374643E+04 2.10439544E+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 END