!A comprehensive chemical kinetic combustion model for the four butanol isomers !S.M. Sarathy, S. Vranckx, K. Yasunaga, M. Mehl, P. O§wald, W.K. Metcalfe, !C. K. Westbrook, W.J. Pitz, K. Kohse-Hoinghaus, R.X. Fernandes, H.J Curran ! Accepted Combustion and Flame, Dec 2011 ! ! ! ver 7 delete first instance of ic3h5oh, ic3h7cho, c2h5coch3 !ver 3 use Charlie's c4h8oh-1o2 thermo !version:nc5_54.8.inp !authors:w. k. metcalfe, s. burke, h. j. curran !21/09/2011 !added new ketene thermochemistry !added detailed thermo for c2h2oh !wkm 06/07/2011 !new species added:c2h3oh,o2ch2cho,ho2ch2co !new thermo for ch3o2, very important for low T, high P CH4 ignition !07/03/2011 !corrected editing problems causing CHEMREV to crash. !Updated thermo from Burcat database when species was available !retained previous values for ch3o2 and c2h5 !c3h5-a, c3h5-a, c3h5-p from laskin's butadiene paper !22/03/2011 !previous thermo for c3h5o, c2h3cho, c2h3co. Burcat's values caused overprediction of reactivity !for propene FR. This is a problem with the kinetics which will be examined later 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 g 8/88h 2 c 1 o 1 0 g 200.000 6000.00 1000.00 1 3.16952665e+00 6.19320560e-03-2.25056366e-06 3.65975660e-10-2.20149458e-14 2 -1.44922756e+04 6.04207898e+00 4.79372312e+00-9.90833322e-03 3.73219990e-05 3 -3.79285237e-08 1.31772641e-11-1.43227879e+04 6.02798058e-01-1.30729291e+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 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 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 t04/10c 1 h 3 o 2 0 g 200.000 6000.00 1000.00 1 ! 5.55530486e+00 9.12236137e-03-3.23851661e-06 5.18713798e-10-3.08834151e-14 2 !-1.03569402e+03-3.99158547e+00 4.97169544e+00-5.29356557e-03 4.77334149e-05 3 !-5.77065617e-08 2.22219969e-11-1.29022161e+02 2.81501182e+00 1.43618036e+03 4 !ch3o2 1/14/ 5 thermc 1h 3o 2 0g 300.000 5000.000 1365.000 11 ! 6.34718801e+00 7.92089358e-03-2.76601913e-06 4.35360631e-10-2.54984762e-14 2 !-1.83436055e+03-7.42552545e+00 3.80497590e+00 9.80784660e-03-3.90940624e-07 3 !-2.23072602e-09 6.43310820e-13-4.55625796e+02 7.81789100e+00 4 !Hf from JMS, thermo from wkm: ub3lyp tight, ultrafine, unscaled 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 1/14/ 5 thermc 1h 3o 2 0g 300.000 5000.000 1357.000 21 9.10784249e+00 5.27260434e-03-1.88170543e-06 3.00561364e-10-1.77865959e-14 2 3.77440183e+03-2.11741044e+01 4.47228333e+00 1.33401095e-02-5.92919725e-06 3 4.44481025e-10 2.12699899e-13 5.67413711e+03 4.72608208e+00 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 iu1/07c 2 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 4.32195633e+00 1.23930542e-02-4.39680960e-06 7.03519917e-10-4.18435239e-14 2 ! 1.21759475e+04 1.71103809e-01 4.24185905e+00-3.56905235e-03 4.82667202e-05 3 !-5.85401009e-08 2.25804514e-11 1.29690344e+04 4.44703782e+00 1.43965189e+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 g 4/02c 2 h 2 o 1 0 g 200.000 6000.00 1000.00 1 ! 5.75871449e+00 6.35124053e-03-2.25955361e-06 3.62321512e-10-2.15855515e-14 2 !-8.08533464e+03-4.96490444e+00 2.13241136e+00 1.81319455e-02-1.74093315e-05 3 ! 9.35336040e-09-2.01724844e-12-7.14808520e+03 1.33807969e+01-5.84267744e+03 4 !Hf from Simmie&Metcalfe 2008, S and Cp from WKM b3lyp calculation ch2co h 2c 2o 1 0g 300.00 5000.00 1000.00 1 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 2/14/95 thermc 2h 5o 3 0g 300.000 5000.000 1392.000 31 1.07432659e+01 1.30957787e-02-4.45370088e-06 6.88548738e-10-3.98230113e-14 2 -2.55911274e+04-2.33254953e+01 4.11839445e+00 2.72240632e-02-1.60824430e-05 3 5.17033408e-09-7.31610168e-13-2.30857785e+04 1.28482112e+01 4 c2h5o2h 1/14/ 5 thermc 2h 6o 2 0g 300.000 5000.000 1391.000 31 1.12305737e+01 1.20482120e-02-3.96730201e-06 6.00754632e-10-3.42657803e-14 2 -2.47977531e+04-3.25607232e+01 1.57329011e+00 3.52379996e-02-2.53203993e-05 3 9.56802476e-09-1.48167375e-12-2.15278368e+04 1.90472032e+01 4 c2h5o2 t10/10c 2 h 5 o 2 0 g 200.000 6000.00 1000.00 1 8.88872432e+00 1.35833179e-02-4.91116949e-06 7.92343362e-10-4.73525704e-14 2 -7.44107388e+03-1.90789836e+01 4.50099327e+00 6.87965342e-03 4.74143971e-05 3 -6.92287127e-08 2.87395324e-11-5.39547911e+03 7.91490068e+00-3.45206633e+03 4 c2h4o2h 1/14/ 5 thermc 2h 5o 2 0g 300.000 5000.000 1397.000 31 1.05228954e+01 9.48091381e-03-3.55727763e-06 6.41445994e-10-4.21232247e-14 2 1.55718322e+03-2.31413632e+01 3.46916874e+00 2.71188626e-02-2.08022550e-05 3 8.44284845e-09-1.40756215e-12 3.89688270e+03 1.43400726e+01 4 ch3cho2h 1/14/ 5 thermc 2h 5o 2 0g 300.000 5000.000 1385.000 31 1.06284708e+01 1.01662327e-02-3.34915963e-06 5.07257146e-10-2.89352540e-14 2 -2.15391230e+03-2.60363030e+01 3.91433011e+00 2.52722102e-02-1.62112291e-05 3 5.45591592e-09-7.57965290e-13 2.38044573e+02 1.02327238e+01 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 !c2h3cho t11/10c 3 h 4 o 1 0 g 200.000 6000.00 1000.00 1 ! 8.20654919e+00 1.28492916e-02-4.64285331e-06 7.51738738e-10-4.51298116e-14 2 !-1.18838341e+04-1.49881933e+01 4.69868861e+00 4.99965957e-03 4.38587397e-05 3 !-6.12883900e-08 2.48508985e-11-1.00875286e+04 7.29812046e+00-8.18629119e+03 4 c2h3cho 6/26/95 thermc 3h 4o 1 0g 300.000 5000.000 1393.000 11 1.04184959e+01 9.48963321e-03-3.29310529e-06 5.16279203e-10-3.01587291e-14 2 -1.49630281e+04-3.07235061e+01 2.92355162e-01 3.54321417e-02-2.94936324e-05 3 1.28100124e-08-2.26144108e-12-1.16521584e+04 2.28878280e+01 4 !c2h3co a10/04c 3 h 3 o 1 0 g 200.000 6000.00 1000.00 1 ! 6.90703955e+00 1.02341927e-02-3.65649593e-06 5.87914100e-10-3.51359226e-14 2 ! 7.62708561e+03-7.29856114e+00 4.11237192e+00 5.05829116e-03 3.17832265e-05 3 !-4.55489258e-08 1.86325507e-11 8.99713585e+03 1.01743843e+01 1.06476509e+04 4 c2h3co 4/ 3/ 0 thermc 3h 3o 1 0g 300.000 5000.000 1402.000 01 9.37467676e+00 7.91296900e-03-2.67198280e-06 4.11115430e-10-2.36978981e-14 2 1.92969514e+03-2.40892696e+01 1.36242013e+00 3.15273972e-02-3.00218935e-05 3 1.48167112e-08-2.87971530e-12 4.25770215e+03 1.72626546e+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 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 t03/10c 2 h 6 o 1 0 g 200.000 6000.00 1000.00 1 ! 5.64844274e+00 1.63381875e-02-5.86802189e-06 9.46836384e-10-5.66504295e-14 2 !-2.50864216e+04-5.96267354e+00 5.30562273e+00-2.14253958e-03 5.30873092e-05 3 !-6.23146897e-08 2.30730916e-11-2.39655820e+04 7.13244569e-01-2.21221696e+04 4 !HJC 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 a10/04c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 ! 5.94067593e+00 1.29906358e-02-4.56921036e-06 7.26888932e-10-4.30599587e-14 2 !-2.58503562e+03-4.52841964e+00 4.53195381e+00 7.81884271e-03 1.94968539e-05 3 !-2.74538336e-08 1.06521135e-11-1.70629244e+03 5.06122980e+00 1.15460803e+02 4 !HJC 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 !HJC 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 !ch3och2o2 7/20/98 thermc 2h 5o 3 0g 300.000 5000.000 1389.000 31 ! 1.24249729e+01 1.18705986e-02-4.07906532e-06 6.35310809e-10-3.69427867e-14 2 !-2.29679238e+04-3.53740145e+01 2.21029612e+00 3.68877454e-02-2.82561555e-05 3 ! 1.15730533e-08-1.97130470e-12-1.94940940e+04 1.91463601e+01 4 !ch2och2o2h 7/20/98 thermc 2h 5o 3 0g 300.000 5000.000 1393.000 41 ! 1.51191783e+01 9.23718883e-03-3.19127505e-06 4.99114678e-10-2.91162488e-14 2 !-1.84114867e+04-4.85706618e+01 2.52895507e+00 4.24128290e-02-3.73406386e-05 3 ! 1.66639333e-08-2.96443312e-12-1.44293306e+04 1.76899251e+01 4 !HJC 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 7/20/98 thermc 2h 6o 3 0g 300.000 5000.000 1392.000 41 ! 1.49370964e+01 1.19465829e-02-4.12746359e-06 6.45422590e-10-3.76427939e-14 2 !-4.11001068e+04-4.99552737e+01 1.19855761e+00 4.59060764e-02-3.66252420e-05 3 ! 1.49318970e-08-2.46057445e-12-3.65363161e+04 2.31339904e+01 4 !HJC 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 7/20/98 trmc 2h 5o 5 0g 300.000 5000.000 1402.000 51 ! 1.92038046e+01 1.04394841e-02-3.60582939e-06 5.63792843e-10-3.28807214e-14 2 !-3.79207055e+04-6.51847273e+01 1.99640551e+00 5.83226232e-02-5.53259778e-05 3 ! 2.59810540e-08-4.77141005e-12-3.27628742e+04 2.44215005e+01 4 !HJC 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 8/31/99 thermc 2h 4o 4 0g 300.000 5000.000 1387.000 41 ! 1.64584298e+01 8.52683511e-03-3.04113500e-06 4.85596908e-10-2.87316334e-14 2 !-6.23959608e+04-5.38924139e+01 3.47935703e+00 4.02952392e-02-3.30109296e-05 3 ! 1.34360117e-08-2.18601580e-12-5.80629934e+04 1.52521392e+01 4 !HJC 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 4/ 9/98 thermc 2h 3o 3 0g 300.000 5000.000 1475.000 21 ! 1.20233916e+01 8.11262659e-03-2.91356462e-06 4.67340384e-10-2.77375525e-14 2 !-4.33647231e+04-3.33691809e+01 5.19690837e+00 1.58839723e-02 3.53540547e-07 3 !-6.10456923e-09 1.94661801e-12-4.02242792e+04 6.11645828e+00 4 !HJC 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 -4.44526361e+04-3.85337353e+01 3.92797655e+00 1.85731220e-02-4.14656828e-07 3 -6.94060480e-09 2.32311215e-12-4.07070844e+04 1.02048630e+01 4 hoch2oco 8/31/99 thermc 2h 3o 3 0g 300.000 5000.000 1603.000 31 1.13737391e+01 8.17663898e-03-2.92034021e-06 4.66695616e-10-2.76276823e-14 2 -4.65575743e+04-2.86035265e+01 6.08180801e+00 1.28768359e-02 2.04419418e-06 3 -6.10154921e-09 1.79820559e-12-4.39526183e+04 2.54054449e+00 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 t10/07c 2 h 3 o 2 0 g 200.000 6000.00 1000.00 1 7.00171955e+00 1.01977290e-02-3.65621800e-06 5.89475086e-10-3.52561321e-14 2 -2.26135780e+04-9.05267669e+00 4.75563598e+00 7.80915313e-03 1.62272935e-05 3 -2.41210787e-08 9.42644561e-12-2.15157456e+04 4.78096491e+00-1.96506108e+04 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 9.28723974e-01 2.50000000e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-7.45375000e+02 9.28723974e-01 0.00000000e+00 4 c3h8 g 2/00c 3 h 8 0 0 g 200.000 6000.00 1000.00 1 6.66919760e+00 2.06108751e-02-7.36512349e-06 1.18434262e-09-7.06914630e-14 2 -1.62754066e+04-1.31943379e+01 4.21093013e+00 1.70886504e-03 7.06530164e-05 3 -9.20060565e-08 3.64618453e-11-1.43810883e+04 5.61004451e+00-1.25900384e+04 4 nc3h7 a 5/05c 3 h 7 0 0 g 200.000 6000.00 1000.00 1 6.49636579e+00 1.77337992e-02-6.24898046e-06 9.95389495e-10-5.90199770e-14 2 8.85973885e+03-8.56389710e+00 4.08211458e+00 5.23240341e-03 5.13554466e-05 3 -6.99343598e-08 2.81819493e-11 1.04074558e+04 8.39534919e+00 1.21859256e+04 4 ic3h7 a 5/05c 3 h 7 0 0 g 200.000 6000.00 1000.00 1 5.30597255e+00 1.89854588e-02-6.74315384e-06 1.07993730e-09-6.42785036e-14 2 7.78748910e+03-2.23233935e+00 5.47421257e+00-8.42536682e-03 8.04607759e-05 3 -9.49287824e-08 3.59830971e-11 9.04939013e+03 3.40542323e+00 1.08473019e+04 4 c3h6 g 2/00c 3 h 6 0 0 g 200.000 6000.00 1000.00 1 6.03870234e+00 1.62963931e-02-5.82130800e-06 9.35936829e-10-5.58603143e-14 2 -7.41715057e+02-8.43825992e+00 3.83464468e+00 3.29078952e-03 5.05228001e-05 3 -6.66251176e-08 2.63707473e-11 7.88717123e+02 7.53408013e+00 2.40543339e+03 4 !c3h5-a t 9/96c 3 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 0.70094568e+01 0.13106629e-01-0.46533442e-05 0.74514323e-09-0.44350051e-13 2 ! 0.16412909e+05-0.13946114e+02 0.14698036e+01 0.19034365e-01 0.14480425e-04 3 !-0.35468652e-07 0.16647594e-10 0.18325831e+05 0.16724114e+02 0.19675772e+05 4 !c3h5-t t 6/96c 3 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 0.61101805e+01 0.14673395e-01-0.53676822e-05 0.86904932e-09-0.51932006e-13 2 ! 0.25532442e+05-0.83555712e+01 0.25544033e+01 0.10986798e-01 0.30174305e-04 3 !-0.47253568e-07 0.19771073e-10 0.27150242e+05 0.13207592e+02 0.28582707e+05 4 !c3h5-s a12/04c 3 h 5 0 0 g 200.000 6000.00 1000.00 1 ! 6.05091412e+00 1.34052084e-02-4.73450586e-06 7.55380897e-10-4.48421084e-14 2 ! 2.90860210e+04-6.73692060e+00 3.33277282e+00 1.06102499e-02 2.17559727e-05 3 !-3.47145235e-08 1.44476835e-11 3.03404530e+04 9.78922358e+00 3.19361425e+04 4 c3h5-a pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.65007877e+01 0.14324731e-01-0.56781632e-05 0.11080801e-08-0.90363887e-13 2 0.17482449e+05-0.11243050e+02 0.13631835e+01 0.19813821e-01 0.12497060e-04 3 -0.33355555e-07 0.15846571e-10 0.19245629e+05 0.17173214e+02 4 c3h5-t pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.54255528e+01 0.15511072e-01-0.56678350e-05 0.79224388e-09-0.16878034e-13 2 0.27843027e+05-0.33527184e+01 0.17329209e+01 0.22394620e-01-0.51490611e-05 3 -0.67596466e-08 0.38253211e-11 0.29040498e+05 0.16568878e+02 4 c3h5-s pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.53725281e+01 0.15780509e-01-0.59922850e-05 0.93089664e-09-0.36550966e-13 2 0.29614760e+05-0.34186478e+01 0.91372931e+00 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 c3h3 t06/09c 3 h 3 0 0 g 200.000 6000.00 1000.00 1 7.14221719e+00 7.61902211e-03-2.67460030e-06 4.24914904e-10-2.51475443e-14 2 3.72008859e+04-1.25848690e+01 1.35110873e+00 3.27411291e-02-4.73827407e-05 3 3.76310220e-08-1.18541128e-11 3.83979206e+04 1.52058598e+01 3.99061400e+04 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 !c3h5o a11/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 ! 8.15052559e+00 1.42542561e-02-5.05387276e-06 8.08732845e-10-4.81184188e-14 2 ! 8.72987262e+03-1.69520239e+01 3.53458477e+00 8.02398508e-03 4.85256807e-05 3 !-7.23549959e-08 3.03822687e-11 1.08059525e+04 1.11545728e+01 1.25165081e+04 4 c3h5o 7/20/95 thermc 3h 5o 1 0g 300.000 5000.000 1380.000 11 1.02551752e+01 1.14983720e-02-3.84645659e-06 5.88910346e-10-3.38557923e-14 2 6.26560810e+03-2.77655042e+01 1.19822582e+00 3.05579837e-02-1.80630276e-05 3 4.86150033e-09-4.19854562e-13 9.58217784e+03 2.15566221e+01 4 c3h6ooh1-3 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1384.000 41 1.46881564e+01 1.49941200e-02-5.24056505e-06 8.25462711e-10-4.83758952e-14 2 -4.77342863e+03-4.77984492e+01 1.88331465e+00 4.40156051e-02-3.07858462e-05 3 1.13214862e-08-1.75323184e-12-1.68779168e+02 2.14040621e+01 4 c3h6ooh1-2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1402.000 41 1.24605763e+01 1.58889526e-02-5.32742106e-06 8.15818791e-10-4.68723250e-14 2 -4.20305196e+03-3.23858947e+01 2.87774562e+00 3.74166999e-02-2.36058063e-05 3 7.79930860e-09-1.06042562e-12-7.82368119e+02 1.93941340e+01 4 c3h6ooh2-1 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1407.000 41 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.67381620e+03-4.35770997e+01 2.09193950e+00 4.69220394e-02-3.90280831e-05 3 1.72381453e-08-3.07968979e-12-1.89377918e+03 2.00178282e+01 4 c3h6ooh2-2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1407.000 41 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.67381620e+03-4.35770997e+01 2.09193950e+00 4.69220394e-02-3.90280831e-05 3 1.72381453e-08-3.07968979e-12-1.89377918e+03 2.00178282e+01 4 c3h6ooh1-2o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1386.000 51 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64412115e+04-6.77512936e+01 2.65196584e+00 5.74638149e-02-4.72190867e-05 3 2.05591557e-08-3.68787387e-12-2.08829371e+04 2.01547955e+01 4 c3h6ooh1-3o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1382.000 51 1.85916698e+01 1.65328553e-02-5.81343626e-06 9.19396939e-10-5.40320702e-14 2 -2.39598698e+04-6.42544402e+01 3.14864588e+00 5.33542571e-02-4.08330611e-05 3 1.67542220e-08-2.89288326e-12-1.85473645e+04 1.86305431e+01 4 c3h6ooh2-1o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1386.000 51 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64412115e+04-6.77512936e+01 2.65196584e+00 5.74638149e-02-4.72190867e-05 3 2.05591557e-08-3.68787387e-12-2.08829371e+04 2.01547955e+01 4 nc3h7o t07/10c 3 h 7 o 1 0 g 200.000 6000.00 1000.00 1 8.38041157e+00 1.95206120e-02-6.97374143e-06 1.12144919e-09-6.69467831e-14 2 -8.48625211e+03-1.89916219e+01 4.21934640e+00 7.38556641e-03 6.02825529e-05 3 -8.38680247e-08 3.39623435e-11-6.23491852e+03 8.08139850e+00-4.26576768e+03 4 ic3h7o 8/ 9/ 4 thermc 3h 7o 1 0g 300.000 5000.000 1393.000 21 1.23135031e+01 1.38062606e-02-4.91585531e-06 8.21075632e-10-5.07493001e-14 2 -1.24717023e+04-4.17270532e+01-8.18260771e-01 4.68807147e-02-3.74369377e-05 3 1.55917264e-08-2.64308171e-12-8.15153216e+03 2.79483196e+01 4 nc3h7o2h t02/10c 3 h 8 o 2 0 g 200.000 6000.00 1000.00 1 1.04115631e+01 2.13763889e-02-7.55819870e-06 1.20207180e-09-7.11798090e-14 2 -2.68935445e+04-2.35428789e+01 7.08977756e+00-4.86163264e-03 1.03253531e-04 3 -1.33200956e-07 5.30799252e-11-2.44194556e+04 1.74859215e+00-2.18476548e+04 4 ic3h7o2h 7/19/ 0 thermc 3h 8o 2 0g 300.000 5000.000 1389.000 41 1.57046391e+01 1.65924516e-02-5.77250934e-06 9.06453070e-10-5.30084111e-14 2 -3.23268564e+04-5.71735156e+01 5.19265570e-01 5.32111228e-02-4.05156892e-05 3 1.63346713e-08-2.73751233e-12-2.71048486e+04 2.40815065e+01 4 nc3h7o2 t04/10c 3 h 7 o 2 0 g 200.000 6000.00 1000.00 1 9.24489759e+00 2.14800809e-02-7.69335773e-06 1.23945160e-09-7.40911693e-14 2 -9.81187945e+03-2.20401438e+01 6.99488957e+00-7.50355088e-03 1.01250579e-04 3 -1.25012534e-07 4.84675978e-11-7.53004240e+03-2.03740242e+00-5.10764916e+03 4 ic3h7o2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1388.000 31 1.32493493e+01 1.64082190e-02-5.67432062e-06 8.87336340e-10-5.17361535e-14 2 -1.44109855e+04-4.29066213e+01 1.49941639e+00 4.43081205e-02-3.22414456e-05 3 1.29687136e-08-2.23370569e-12-1.02587980e+04 2.02336490e+01 4 c3h6o1-3 a11/04c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 6.80716906e+00 1.88824545e-02-6.79082475e-06 1.09713919e-09-6.57154952e-14 2 -1.36547629e+04-1.35382154e+01 5.15283752e+00-1.86401716e-02 1.29980652e-04 3 -1.58629974e-07 6.20668783e-11-1.13243512e+04 4.73561224e+00-9.75233898e+03 4 c3h6o1-2 a01/05c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 8.01491079e+00 1.73919953e-02-6.26027968e-06 1.01188256e-09-6.06239111e-14 2 -1.51980838e+04-1.88279964e+01 3.42806676e+00 6.25176642e-03 6.13196311e-05 3 -8.60387185e-08 3.51371393e-11-1.28446646e+04 1.04244994e+01-1.11564001e+04 4 c3ket12 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1388.000 41 1.70756225e+01 1.31013491e-02-4.61949408e-06 7.31991329e-10-4.30788679e-14 2 -4.17008637e+04-5.95778952e+01 1.10507238e+00 5.27396706e-02-4.31805774e-05 3 1.81618292e-08-3.10535568e-12-3.63627536e+04 2.54111636e+01 4 c3ket13 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1379.000 41 1.58927479e+01 1.40990923e-02-4.96118851e-06 7.84992198e-10-4.61488928e-14 2 -3.93774829e+04-5.26049341e+01 3.55241022e+00 4.18720270e-02-2.94550370e-05 3 1.09982900e-08-1.75045977e-12-3.48902671e+04 1.42082894e+01 4 c3ket21 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1371.000 41 1.56377776e+01 1.44059342e-02-5.08808082e-06 8.07076119e-10-4.75295650e-14 2 -4.30657975e+04-5.13105869e+01 4.55686367e+00 3.57076837e-02-1.94712054e-05 3 4.70695431e-09-3.69753807e-13-3.86710975e+04 9.97761694e+00 4 c3h51-2,3ooh 8/26/3 thrmc 3h 7o 4 0g 300.000 5000.000 1386.000 61 2.12378169e+01 1.39519596e-02-4.94539222e-06 7.86381389e-10-4.63925564e-14 2 -1.92864584e+04-7.69636561e+01 2.55619708e+00 6.13504487e-02-5.23205391e-05 3 2.28208029e-08-4.02231508e-12-1.31353414e+04 2.21043799e+01 4 c3h52-1,3ooh 8/26/3 thrmc 3h 7o 4 0g 300.000 5000.000 1379.000 61 2.02817964e+01 1.48155431e-02-5.25503386e-06 8.35963453e-10-4.93308915e-14 2 -1.80085066e+04-7.22688262e+01 4.12253742e+00 5.19553611e-02-3.83733727e-05 3 1.45851637e-08-2.29820536e-12-1.22759164e+04 1.48367359e+01 4 c3h6oh 1/ 7/98 thermc 3h 7o 1 0g 300.000 5000.000 1674.000 31 9.31287816e+00 1.67579212e-02-5.75555480e-06 9.00584362e-10-5.26566836e-14 2 -1.20169635e+04-1.95011064e+01 1.20494302e+00 3.30857885e-02-1.63893637e-05 3 3.18103918e-09-6.84229288e-14-9.12961720e+03 2.47155202e+01 4 hoc3h6o2 1/ 7/98 thermc 3h 7o 3 0g 300.000 5000.000 1397.000 41 1.42691004e+01 1.71837825e-02-5.83419536e-06 9.00994191e-10-5.20716210e-14 2 -3.14501750e+04-4.15295035e+01 3.06954289e+00 4.43105640e-02-3.18636260e-05 3 1.26409287e-08-2.12751901e-12-2.75893676e+04 1.83891218e+01 4 ch3chco 03/03/95 thermc 3h 4o 1 0g 300.000 5000.000 1400.00 41 1.00219123e+01 9.56966300e-03-3.26221644e-06 5.05231706e-10-2.92593257e-14 2 -1.42482738e+04-2.77829973e+01 1.48380119e+00 3.22203013e-02-2.70250033e-05 3 1.20499164e-08-2.18365931e-12-1.15276540e+04 1.71552068e+01 4 ac3h5ooh 7/20/98 thermc 3h 6o 2 0g 300.000 5000.000 1394.000 31 1.36837693e+01 1.33968049e-02-4.61533631e-06 7.19988958e-10-4.19109988e-14 2 -1.33165248e+04-4.31904193e+01 2.43934647e+00 4.02070638e-02-2.95322679e-05 3 1.14715600e-08-1.85170511e-12-9.43679906e+03 1.70549969e+01 4 c2h3ooh 4/18/ 8 thermc 2h 4o 2 0g 300.000 5000.000 1397.000 21 1.15749951e+01 8.09909174e-03-2.81808668e-06 4.42697954e-10-2.58998042e-14 2 -8.84852664e+03-3.43859117e+01 1.35644398e+00 3.37002447e-02-2.75988500e-05 3 1.14222854e-08-1.89488886e-12-5.49996692e+03 1.98354466e+01 4 c4h10 g12/00c 4 h 10 0 0 g 200.000 6000.00 1000.00 1 9.44547835e+00 2.57856620e-02-9.23613194e-06 1.48631762e-09-8.87891206e-14 2 -2.01383773e+04-2.63477585e+01 6.14474013e+00 1.64500242e-04 9.67848789e-05 3 -1.25486208e-07 4.97846257e-11-1.75989467e+04-1.08058878e+00-1.51289733e+04 4 pc4h9 t 7/04c 4 h 9 0 0 g 200.000 6000.00 1000.00 1 8.97401527e+00 2.39704154e-02-8.48703645e-06 1.35644127e-09-8.06234913e-14 2 5.19161526e+03-2.31075609e+01 4.73737837e+00 9.69051565e-03 6.63846383e-05 3 -9.24799302e-08 3.74006099e-11 7.57382332e+03 4.91063455e+00 9.83838903e+03 4 sc4h9 t 6/04c 4 h 9 0 0 g 200.000 6000.00 1000.00 1 7.72287211e+00 2.43427284e-02-8.65476475e-06 1.38712529e-09-8.26084187e-14 2 4.15004489e+03-1.43949625e+01 5.42089393e+00-9.12146870e-04 8.84998581e-05 3 -1.12115531e-07 4.38222782e-11 6.28927311e+03 5.04210029e+00 8.44598852e+03 4 c4h8-1 t05/09c 4 h 8 0 0 g 200.000 6000.00 1000.00 1 7.86795262e+00 2.24448843e-02-8.07705438e-06 1.30179988e-09-7.77958472e-14 2 -4.23853340e+03-1.65662549e+01 5.13226136e+00 5.33862838e-03 6.02928960e-05 3 -7.60364685e-08 2.87324693e-11-2.16718358e+03 3.82936810e+00-3.72842176e+00 4 c4h8-2 t 5/09c 4 h 8 0 0 g 200.000 6000.00 1000.00 1 7.89114667e+00 2.24970532e-02-8.12143779e-06 1.31273568e-09-7.84451632e-14 2 -5.51643171e+03-1.76436027e+01 5.57278967e+00 3.76541017e-03 6.52226708e-05 3 -8.30909522e-08 3.20311342e-11-3.60128327e+03 5.37796708e-01-1.34523863e+03 4 c4h71-1 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.15646382e+00 1.90308835e-02-6.73262214e-06 1.07333098e-09-6.36886441e-14 2 2.55826427e+04-1.61428872e+01 4.19857522e+00 1.19616999e-02 4.23864923e-05 3 -6.30299109e-08 2.59475110e-11 2.75256555e+04 8.57181248e+00 2.95712937e+04 4 c4h71-2 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.16688868e+00 1.95680375e-02-6.95694878e-06 1.11504166e-09-6.64079384e-14 2 2.37537003e+04-1.77041242e+01 3.77145965e+00 1.46544157e-02 3.70080802e-05 3 -5.72714455e-08 2.36641011e-11 2.58014506e+04 9.11906641e+00 2.78022108e+04 4 c4h71-3 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.08107449e+00 1.95526544e-02-6.93149115e-06 1.10889183e-09-6.59584410e-14 2 1.22822959e+04-1.67137903e+01 4.54746808e+00 4.63771460e-03 6.61340221e-05 3 -8.97456502e-08 3.61716165e-11 1.43843217e+04 7.30313471e+00 1.63702936e+04 4 c4h71-4 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 8.49073768e+00 1.91056974e-02-6.74370664e-06 1.07343267e-09-6.36251837e-14 2 2.04659294e+04-1.74555814e+01 5.07355313e+00 5.27619329e-03 6.23441322e-05 3 -8.54203458e-08 3.45890031e-11 2.24615054e+04 5.60318035e+00 2.46070249e+04 4 c4h72-2 t05/04c 4 h 7 0 0 g 200.000 6000.00 1000.00 1 7.26612168e+00 1.99858497e-02-7.12030976e-06 1.14276142e-09-6.81206632e-14 2 2.31915554e+04-1.09941637e+01 7.61389036e+00-9.06922602e-03 8.28486476e-05 3 -9.61203624e-08 3.59333528e-11 2.44971584e+04-5.90519467e+00 2.69231159e+04 4 !c4h6 t05/04c 4 h 6 0 0 g 200.000 6000.00 1000.00 1 ! 7.62637466e+00 1.72523403e-02-6.09184911e-06 9.70800102e-10-5.76169721e-14 2 ! 9.55306395e+03-1.48325259e+01 4.10599669e+00 5.05575563e-03 5.83885454e-05 3 !-8.05950198e-08 3.27447711e-11 1.15092468e+04 8.42978067e+00 1.33302095e+04 4 c4h6 h6w/94c 4h 6 0 0g 300.000 3000.00 1000.00 1 0.88673134e+01 0.14918670e-01-0.31548716e-05-0.41841330e-09 0.15761258e-12 2 0.91338516e+04-0.23328171e+02 0.11284465e+00 0.34369022e-01-0.11107392e-04 3 -0.92106660e-08 0.62065179e-11 0.11802270e+05 0.23089996e+02 4 pc4h9o2h t03/09c 4 h 10 o 2 0 g 200.000 6000.00 1000.00 1 1.28219158e+01 2.86823803e-02-1.02147914e-05 1.63572769e-09-9.73133952e-14 2 -3.07798233e+04-3.94377500e+01 8.00936535e+00-2.66942443e-04 1.16727305e-04 3 -1.51711952e-07 6.00701432e-11-2.75032149e+04-4.64152531e+00-2.43672606e+04 4 sc4h9o2h 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1390.000 51 1.88587916e+01 2.11200987e-02-7.33205568e-06 1.14969842e-09-6.71656991e-14 2 -3.64236058e+04-7.20026458e+01 3.40587657e-01 6.52078069e-02-4.84840460e-05 3 1.91011830e-08-3.13833073e-12-3.00007960e+04 2.72835451e+01 4 pc4h9o2 t04/09c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.23429985e+01 2.62571448e-02-9.56671199e-06 1.55186643e-09-9.30636032e-14 2 -1.38631285e+04-3.51216207e+01 7.72177591e+00-5.24480169e-03 1.23509561e-04 3 -1.57237681e-07 6.17433797e-11-1.05195922e+04-7.64797505e-01-7.64084185e+03 4 sc4h9o2 t04/09c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.32050457e+01 2.48733258e-02-9.02931866e-06 1.46076060e-09-8.74286907e-14 2 -1.64965836e+04-3.96133038e+01 6.28258160e+00 9.26838632e-03 8.83567395e-05 3 -1.23824125e-07 5.03388028e-11-1.29976940e+04 4.27236502e+00-1.01528994e+04 4 pc4h9o t09/08c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.21282441e+01 2.43644908e-02-9.02471630e-06 1.47949540e-09-8.93697147e-14 2 -1.29796240e+04-3.75312729e+01 5.61811041e+00 2.13096414e-03 1.02735847e-04 3 -1.34293799e-07 5.26670215e-11-9.21420279e+03 5.86104936e+00-6.77730858e+03 4 sc4h9o a09/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.23515300e+01 2.40070435e-02-8.82800485e-06 1.44359362e-09-8.71114711e-14 2 -1.46466302e+04-4.13524913e+01 4.43662987e+00 1.00289940e-02 8.56583118e-05 3 -1.18678067e-07 4.74411822e-11-1.07133878e+04 8.21507294e+00-8.40019580e+03 4 c4h7o 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1395.000 21 1.53137780e+01 1.43427017e-02-4.81625517e-06 7.39574839e-10-4.26140814e-14 2 -7.29342884e+02-5.52937859e+01-1.60619192e+00 5.58562682e-02-4.35595767e-05 3 1.70589279e-08-2.65635180e-12 4.85090326e+03 3.47112559e+01 4 c4h8o1-2 4/ 3/ 0 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 21 1.39197290e+01 1.85551492e-02-6.36014179e-06 9.88844645e-10-5.74274779e-14 2 -2.09452548e+04-5.06788231e+01-2.42033073e+00 5.79308508e-02-4.30236499e-05 3 1.66679793e-08-2.64714350e-12-1.53950880e+04 3.66425242e+01 4 c4h8o1-3 1/22/95 thermc 4h 8o 1 0g 300.000 5000.000 1371.000 51 1.54227092e+01 1.70211052e-02-6.06347951e-06 9.67354762e-10-5.71992419e-14 2 -2.20194174e+04-6.13871862e+01-2.53690104e+00 5.43995707e-02-3.43390305e-05 3 1.01079922e-08-1.10262736e-12-1.52980680e+04 3.67400719e+01 4 c4h8o1-4 1/22/95 thermc 4h 8o 1 0g 300.000 5000.000 1361.000 51 1.42360731e+01 1.81176105e-02-6.46263809e-06 1.03194372e-09-6.10557331e-14 2 -2.99478670e+04-5.52081041e+01-3.28505561e+00 5.04800902e-02-2.51998984e-05 3 3.65743744e-09 3.94863161e-13-2.30067422e+04 4.19349253e+01 4 c4h8o2-3 1/22/95 thermc 4h 8o 1 0g 300.000 5000.000 1384.000 51 1.58263859e+01 1.64400938e-02-5.80680311e-06 9.21146000e-10-5.42511002e-14 2 -2.35334573e+04-6.34844562e+01-2.98701197e+00 6.32678880e-02-5.20855777e-05 3 2.24064364e-08-3.95416618e-12-1.71957196e+04 3.66920390e+01 4 pc4h8oh 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1503.000 41 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67631276e+04-4.41162528e+01 1.20329680e+00 4.40218297e-02-2.12295754e-05 3 3.03714993e-09 3.72027554e-13-1.18622440e+04 2.65515175e+01 4 sc4h8oh 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1392.000 41 1.48421985e+01 1.78435665e-02-6.16709050e-06 1.00443458e-09-6.10697983e-14 2 -1.81714637e+04-4.96976895e+01-1.04565044e+00 5.72423420e-02-4.43109142e-05 3 1.80944672e-08-3.02843329e-12-1.28718032e+04 3.48383489e+01 4 c4h8ooh1-1 3/27/97 thermc 4h 9o 2 0g 300.000 5000.000 1379.000 51 1.80477436e+01 1.92137176e-02-6.66503008e-06 1.04468117e-09-6.10170737e-14 2 -1.23069570e+04-6.33580990e+01 4.36087539e+00 4.46153162e-02-2.14784588e-05 3 3.14619957e-09 3.03152649e-13-6.89950326e+03 1.24757248e+01 4 c4h8ooh1-2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.58327906e+01 2.07220436e-02-7.09869028e-06 1.10302045e-09-6.40251984e-14 2 -8.53034314e+03-5.04399828e+01 1.51698234e+00 5.44584331e-02-3.84524319e-05 3 1.48145523e-08-2.42809434e-12-3.49728423e+03 2.64916926e+01 4 c4h8ooh1-3 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1377.000 51 1.76442170e+01 1.91706536e-02-6.57168641e-06 1.02246571e-09-5.94304735e-14 2 -1.01859280e+04-6.17115813e+01 1.94106276e+00 5.18789351e-02-3.10411683e-05 3 8.63568881e-09-8.42841994e-13-4.34315962e+03 2.40230471e+01 4 c4h8ooh1-4 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1386.000 51 1.78623700e+01 1.95212501e-02-6.80351173e-06 1.06960529e-09-6.26000540e-14 2 -8.87923008e+03-6.34393359e+01 1.45017084e+00 5.72418991e-02-4.06431218e-05 3 1.52821793e-08-2.42123218e-12-3.02905522e+03 2.50737890e+01 4 c4h8ooh2-1 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13637100e+04-6.69839138e+01 1.01711681e+00 6.10560866e-02-4.65789185e-05 3 1.88024138e-08-3.15265575e-12-5.37391474e+03 2.63059691e+01 4 c4h8ooh2-2 3/27/97 thermc 4h 9o 2 0g 300.000 5000.000 1383.000 51 1.63837700e+01 2.04422768e-02-7.04524557e-06 1.09927552e-09-6.39967086e-14 2 -1.45616229e+04-5.33147431e+01 4.40329034e+00 4.30478989e-02-2.14076129e-05 3 4.28267268e-09-1.27804885e-13-9.79432029e+03 1.30514046e+01 4 c4h8ooh2-3 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1387.000 51 1.79338472e+01 1.92153623e-02-6.64486961e-06 1.03940007e-09-6.06239862e-14 2 -1.25767913e+04-6.36194089e+01 1.45436266e+00 5.63121286e-02-3.84161425e-05 3 1.34229297e-08-1.92382914e-12-6.68916116e+03 2.54247554e+01 4 c4h8ooh2-4 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13637100e+04-6.69839138e+01 1.01711681e+00 6.10560866e-02-4.65789185e-05 3 1.88024138e-08-3.15265575e-12-5.37391474e+03 2.63059691e+01 4 c4h8ooh1-2o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh1-3o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh1-4o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1383.000 61 2.17116470e+01 2.11216172e-02-7.40101448e-06 1.16772959e-09-6.85139846e-14 2 -2.80483124e+04-7.95885249e+01 3.12351717e+00 6.46725908e-02-4.78357914e-05 3 1.89656817e-08-3.18025828e-12-2.14664300e+04 2.04322494e+01 4 c4h8ooh2-1o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh2-3o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1389.000 61 2.29951044e+01 1.99238919e-02-6.96326765e-06 1.09677832e-09-6.42747281e-14 2 -3.30095408e+04-8.71461958e+01 2.19248006e+00 7.36763430e-02-6.24428300e-05 3 2.79371307e-08-5.10126013e-12-2.61773538e+04 2.29568752e+01 4 c4h8ooh2-4o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 nc4ket12 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1388.000 51 2.02458485e+01 1.76440360e-02-6.19054598e-06 9.77688024e-10-5.74053258e-14 2 -4.58141511e+04-7.52145443e+01 8.05387149e-01 6.52375119e-02-5.18373651e-05 3 2.13454896e-08-3.59860255e-12-3.92395961e+04 2.84908472e+01 4 nc4ket13 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1386.000 51 1.96430808e+01 1.80940566e-02-6.33063232e-06 9.97860399e-10-5.85076458e-14 2 -4.59588851e+04-7.16905094e+01 2.74883461e+00 5.86936745e-02-4.49605895e-05 3 1.83200130e-08-3.11765369e-12-4.01065878e+04 1.88072090e+01 4 nc4ket14 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1382.000 51 1.90283822e+01 1.86604765e-02-6.53616227e-06 1.03102482e-09-6.04833256e-14 2 -4.34678787e+04-6.80210373e+01 3.40797147e+00 5.37386096e-02-3.72613233e-05 3 1.36862855e-08-2.13798779e-12-3.77919233e+04 1.65580190e+01 4 nc4ket21 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1376.000 51 1.86231473e+01 1.90969401e-02-6.70745998e-06 1.05994690e-09-6.22564248e-14 2 -4.71929933e+04-6.55477892e+01 4.69785973e+00 4.83859623e-02-3.05576939e-05 3 1.02705744e-08-1.51713483e-12-4.18665528e+04 1.06715264e+01 4 nc4ket23 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1387.000 51 1.99512969e+01 1.79558596e-02-6.31230878e-06 9.98217386e-10-5.86636973e-14 2 -4.95585495e+04-7.43071328e+01 4.50575961e-01 6.48862527e-02-5.04446464e-05 3 2.03085220e-08-3.35952497e-12-4.28779359e+04 3.00153676e+01 4 nc4ket24 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1380.000 51 1.87707201e+01 1.89490823e-02-6.65182145e-06 1.05080860e-09-6.17069393e-14 2 -4.72319802e+04-6.73335107e+01 2.93007283e+00 5.39296076e-02-3.66164919e-05 3 1.30880106e-08-1.99245456e-12-4.14118815e+04 1.86567511e+01 4 c2h5coch3 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1388.000 31 1.29205497e+01 1.89951927e-02-6.51524488e-06 1.01337892e-09-5.88684358e-14 2 -3.52805370e+04-4.17145319e+01 8.79730243e-02 4.62285001e-02-2.79764453e-05 3 8.48736503e-09-1.03073749e-12-3.05063224e+04 2.82501189e+01 4 c2h5coch2 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1383.000 31 1.42098738e+01 1.57866459e-02-5.50529183e-06 8.65870540e-10-5.06913329e-14 2 -1.41284951e+04-4.87132911e+01 1.54013856e+00 4.39486258e-02-2.97002421e-05 3 1.05495313e-08-1.58598769e-12-9.50796505e+03 1.99706641e+01 4 ch2ch2coch3 6/21/95 therc 4h 7o 1 0g 300.000 5000.000 1380.00 31 1.24694368e+01 1.71022143e-02-5.92156726e-06 9.26816806e-10-5.40730504e-14 2 -1.01378242e+04-3.62186375e+01 2.40255609e+00 3.67294268e-02-1.97316510e-05 3 5.07323216e-09-4.99655275e-13-6.15006886e+03 1.93993386e+01 4 ch3chcoch3 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1384.000 31 1.31388032e+01 1.66091073e-02-5.76924215e-06 9.04978165e-10-5.28826527e-14 2 -1.51162098e+04-4.38876580e+01 8.12941079e-01 4.29256944e-02-2.69230252e-05 3 8.59326807e-09-1.13188129e-12-1.05247481e+04 2.32952685e+01 4 c2h3coch3 6/19/95 thermc 4h 6o 1 0g 300.000 5000.000 1386.00 21 1.25571995e+01 1.49672645e-02-5.20015351e-06 8.15864365e-10-4.76824406e-14 2 -2.14622958e+04-4.01434299e+01 2.45578501e-01 4.26432049e-02-2.91126822e-05 3 1.03478392e-08-1.53551381e-12-1.70305379e+04 2.64430799e+01 4 ch3choococh3 6/27/95 c 4h 7o 3 0g 300.000 5000.000 1393.00 41 1.72170832e+01 1.76740453e-02-6.10387321e-06 9.53711693e-10-5.55757409e-14 2 -3.05280370e+04-5.67959657e+01 1.59405312e+00 5.74729487e-02-4.65071459e-05 3 2.01816805e-08-3.61175600e-12-2.53445178e+04 2.60857480e+01 4 ch2choohcoch3 6/27/95 c 4h 7o 3 0g 300.000 5000.000 1394.00 51 1.93158016e+01 1.56592602e-02-5.45395604e-06 8.57160086e-10-5.01582885e-14 2 -2.47752201e+04-6.70296581e+01 1.55204769e+00 6.08201262e-02-5.04704383e-05 3 2.16347587e-08-3.75674081e-12-1.89563540e+04 2.71011896e+01 4 nc3h7cho t05/09 c 4h 8o 1 0g 200.000 6000.000 1000.00 1 1.02351219e+01 2.32201057e-02-8.46144199e-06 1.37589764e-09-8.27046434e-14 2 -3.00345804e+04-2.82583105e+01 5.30068149e+00 5.00213349e-03 8.12219686e-05 3 -1.07815910e-07 4.25781054e-11-2.71198341e+04 4.93592991e+00-2.47924787e+04 4 nc3h7co 9/27/95 thermc 4h 7o 1 0g 300.000 5000.000 1380.00 31 1.30026331e+01 1.63104877e-02-5.57642899e-06 8.65670629e-10-5.02255667e-14 2 -1.25523385e+04-4.02608515e+01 2.67256826e+00 3.71198825e-02-2.06862859e-05 3 5.48873888e-09-5.35864183e-13-8.58050888e+03 1.64848950e+01 4 c3h6cho-1 9/27/95 thermc 4h 7o 1 0g 300.000 5000.000 1379.000 31 1.30322954e+01 1.62418373e-02-5.54388124e-06 8.59723685e-10-4.98459726e-14 2 -6.45915975e+03-3.92399021e+01 2.67672303e+00 3.73064128e-02-2.11281405e-05 3 5.80472681e-09-6.09688236e-13-2.49714183e+03 1.75750933e+01 4 c3h6cho-2 11/15/95 thermc 4h 7o 1 0g 300.000 5000.000 1682.000 31 1.11942816e+01 1.81806772e-02-6.35916662e-06 1.00727333e-09-5.93943618e-14 2 -6.86826460e+03-2.80298956e+01 2.95067531e+00 3.34223079e-02-1.45356815e-05 3 1.67282048e-09 2.62011555e-13-3.79034324e+03 1.74324072e+01 4 c3h6cho-3 11/15/95 thermc 4h 7o 1 0g 300.000 5000.000 1387.000 31 1.34301738e+01 1.62250792e-02-5.60631713e-06 8.76356273e-10-5.10864241e-14 2 -1.13561098e+04-4.47371262e+01 1.35168659e+00 4.23714083e-02-2.69123192e-05 3 8.70132567e-09-1.15287455e-12-6.91166610e+03 2.09381509e+01 4 c2h5chco 9/27/95 thermc 4h 6o 1 0g 300.000 5000.000 1400.00 21 1.34100537e+01 1.38766678e-02-4.74130143e-06 7.35504188e-10-4.26457752e-14 2 -1.83790837e+04-4.45295352e+01 2.76600655e-01 4.82966593e-02-4.02376928e-05 3 1.76564254e-08-3.14365357e-12-1.41717351e+04 2.47118671e+01 4 sc3h5cho 11/15/95 therc 4h 6o 1 0g 300.000 5000.000 1390.000 21 1.31695904e+01 1.42484434e-02-4.90843998e-06 7.65789041e-10-4.45834896e-14 2 -2.04032613e+04-4.43673205e+01 4.35795171e-01 4.48719314e-02-3.36582931e-05 3 1.33066870e-08-2.17839128e-12-1.60394651e+04 2.37597452e+01 4 sc3h5co 11/15/95 thermc 4h 5o 1 0g 300.000 5000.000 1392.000 21 1.25514754e+01 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 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 -5.37553477e-08 2.35670326e-11 1.47584145e+04 1.55529104e+01 1.65497991e+04 4 ic4h9o2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1387.000 41 1.59741221e+01 2.13534740e-02-7.39001105e-06 1.15624411e-09-6.74408046e-14 2 -1.72329304e+04-5.65302409e+01 1.21434293e+00 5.45388311e-02-3.67001593e-05 3 1.34131042e-08-2.11741793e-12-1.18482450e+04 2.34153048e+01 4 tc4h9o2 t04/08c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.34566146e+01 2.40864396e-02-8.56308159e-06 1.36853372e-09-8.12706683e-14 2 -1.89690450e+04-4.18792381e+01 4.45494881e+00 2.89185105e-02 3.68274347e-05 3 -7.18116292e-08 3.18779709e-11-1.56103943e+04 9.17831465e+00-1.27983095e+04 4 tc4h8o2h-i 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1405.000 51 1.78060253e+01 1.84952716e-02-6.21268423e-06 9.52753962e-10-5.48010330e-14 2 -1.17555816e+04-6.40180236e+01 1.57469723e+00 6.04648659e-02-4.84991814e-05 3 2.05236181e-08-3.52974722e-12-6.54190901e+03 2.16852700e+01 4 ic4h8o2h-i 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1388.000 51 1.80246456e+01 1.93668264e-02-6.74676496e-06 1.06040129e-09-6.20506445e-14 2 -1.00858977e+04-6.57629693e+01 9.94784793e-01 5.89212240e-02-4.25202225e-05 3 1.61370574e-08-2.55904902e-12-4.08029057e+03 2.58950880e+01 4 ic4h8o2h-t 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1397.000 51 1.52395012e+01 2.06496983e-02-6.94791927e-06 1.06651097e-09-6.13782754e-14 2 -1.02271199e+04-4.70908585e+01 3.77633001e+00 4.50889269e-02-2.62423875e-05 3 7.74736900e-09-9.11520393e-13-5.98295842e+03 1.53503399e+01 4 ic4h8o 7/19/95 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 21 1.44624830e+01 1.80562860e-02-6.18008791e-06 9.59941341e-10-5.57132297e-14 2 -2.30230616e+04-5.61190165e+01-2.97373741e+00 6.24618637e-02-5.04348211e-05 3 2.13345360e-08-3.67382824e-12-1.73274318e+04 3.62336362e+01 4 cc4h8o 6/29/95 thermc 4h 8o 1 0g 300.000 5000.000 1401.000 11 1.35131704e+01 1.91666441e-02-6.53902359e-06 1.01366570e-09-5.87546671e-14 2 -2.00311488e+04-5.22146967e+01-5.27768230e+00 6.52482242e-02-5.00209030e-05 3 1.97452179e-08-3.15605813e-12-1.37706522e+04 4.78500688e+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 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1388.000 51 1.84308794e+01 2.15337606e-02-7.48623965e-06 1.17499240e-09-6.86890788e-14 2 -3.51483277e+04-7.08030846e+01 2.44181899e-01 6.34027841e-02-4.49162379e-05 3 1.67406877e-08-2.61216478e-12-2.86959808e+04 2.72156229e+01 4 tc4h9o2h t02/10c 4 h 10 o 2 0 g 200.000 6000.00 1000.00 1 1.52702114e+01 2.56462637e-02-9.02796199e-06 1.43759278e-09-8.52381573e-14 2 -3.58539067e+04-5.44966764e+01 3.96033042e+00 4.06267078e-02 1.85652131e-05 3 -5.72128820e-08 2.73014984e-11-3.20467014e+04 7.55565609e+00-2.89963507e+04 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 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 tc4h8ooh-io2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1386.000 61 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24406877e+04-8.80387843e+01 2.17782096e+00 7.17785118e-02-5.88836046e-05 3 2.56759171e-08-4.61678643e-12-2.55622378e+04 2.07846231e+01 4 ic4h8ooh-io2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1385.000 61 2.18969581e+01 2.09637874e-02-7.34664900e-06 1.15926594e-09-6.80225413e-14 2 -2.92664889e+04-8.20540807e+01 2.39424426e+00 6.76572549e-02-5.17083682e-05 3 2.10796041e-08-3.59960373e-12-2.24787495e+04 2.25029839e+01 4 ic4h8ooh-to2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1386.000 61 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24406877e+04-8.80387843e+01 2.17782096e+00 7.17785118e-02-5.88836046e-05 3 2.56759171e-08-4.61678643e-12-2.55622378e+04 2.07846231e+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 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 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 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 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 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 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/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1396.000 41 1.54992372e+01 2.38273176e-02-8.13845161e-06 1.26220569e-09-7.31730066e-14 2 -1.00988975e+03-5.58563592e+01-9.94216435e-01 5.99860809e-02-3.78318587e-05 3 1.21310895e-08-1.57042863e-12 4.97697538e+03 3.35998032e+01 4 c5h11-2 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.17907576e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.67485348e+01 4 c5h11-3 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.24802393e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.60590532e+01 4 c5h10-1 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1392.000 31 1.45851539e+01 2.24072471e-02-7.63348025e-06 1.18188966e-09-6.84385139e-14 2 -1.00898205e+04-5.23683936e+01-1.06223481e+00 5.74218294e-02-3.74486890e-05 3 1.27364989e-08-1.79609789e-12-4.46546666e+03 3.22739790e+01 4 c5h10-2 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1389.000 31 1.41109267e+01 2.28348272e-02-7.78626835e-06 1.20627491e-09-6.98795983e-14 2 -1.14336507e+04-5.01601163e+01-5.41560551e-01 5.39629918e-02-3.23508738e-05 3 9.77416037e-09-1.18534668e-12-5.98606169e+03 2.97142748e+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 c5h91-3 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 21 1.41860454e+01 2.07128899e-02-7.06960617e-06 1.09607133e-09-6.35322208e-14 2 7.00496135e+03-5.14501773e+01-1.38013950e+00 5.57608487e-02-3.70143928e-05 3 1.26883901e-08-1.78538835e-12 1.25589824e+04 3.26441304e+01 4 c5h91-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1379.000 31 1.39904314e+01 1.99962562e-02-6.73105937e-06 1.03447598e-09-5.96148983e-14 2 1.36075123e+04-4.58753046e+01 2.07302224e-01 4.75322572e-02-2.55232300e-05 3 5.70570808e-09-2.53926602e-13 1.88300100e+04 2.97527890e+01 4 c5h91-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 31 1.41604486e+01 2.02710046e-02-6.90765357e-06 1.06972742e-09-6.19529514e-14 2 1.49795090e+04-4.72301324e+01-3.00352280e-01 5.29029897e-02-3.50199571e-05 3 1.21280172e-08-1.74459793e-12 2.01482388e+04 3.08938514e+01 4 c5h92-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 21 1.37128284e+01 2.11391857e-02-7.22186145e-06 1.12036442e-09-6.49675872e-14 2 5.66079366e+03-4.92475603e+01-8.61323386e-01 5.23106875e-02-3.19282664e-05 3 9.73236622e-09-1.17585595e-12 1.10386471e+04 3.00928924e+01 4 c5h92-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 31 1.36885460e+01 2.06966684e-02-7.05980383e-06 1.09401634e-09-6.33885833e-14 2 1.36345574e+04-4.50306538e+01 2.16350550e-01 4.94614176e-02-2.99438792e-05 3 9.17728978e-09-1.13613754e-12 1.86282306e+04 2.83575279e+01 4 c5h9o1-3 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1393.000 31 1.86270165e+01 1.85189638e-02-6.21111137e-06 9.52916260e-10-5.48704082e-14 2 -4.97349374e+03-7.09678919e+01-2.22532588e+00 6.97271843e-02-5.42285799e-05 3 2.13591167e-08-3.36511599e-12 1.91826163e+03 3.99711270e+01 4 c5h9o2-4 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1387.000 31 1.86104516e+01 1.87100216e-02-6.31627652e-06 9.73434030e-10-5.62316246e-14 2 -6.59575918e+03-7.05163465e+01-1.66449167e+00 6.51525448e-02-4.57159226e-05 3 1.55903830e-08-2.04144207e-12 4.10326271e+02 3.84890543e+01 4 c5h11o-1 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1391.000 41 1.73225378e+01 2.48217999e-02-8.48159842e-06 1.31587304e-09-7.63050620e-14 2 -1.83356880e+04-6.37681611e+01-9.02925873e-02 6.34116550e-02-4.09268668e-05 3 1.36982820e-08-1.89646466e-12-1.20333690e+04 3.05672313e+01 4 c5h11o-2 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.67615213e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.16370708e+01 4 c5h11o-3 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.74510029e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.09475892e+01 4 c5h11o2h-1 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1387.000 61 2.14180725e+01 2.62251472e-02-9.10691067e-06 1.42824507e-09-8.34473635e-14 2 -3.80401323e+04-8.39746734e+01 4.74596161e-01 7.38808098e-02-5.12216645e-05 3 1.87797149e-08-2.90291870e-12-3.05323779e+04 2.91362231e+01 4 c5h11o2h-2 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2h-3 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2-1 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1386.000 51 1.89702536e+01 2.60355552e-02-9.00706834e-06 1.40888868e-09-8.21618381e-14 2 -2.01253683e+04-6.97477616e+01 1.39788038e+00 6.52788893e-02-4.34224032e-05 3 1.57151743e-08-2.46631324e-12-1.36791222e+04 2.55411824e+01 4 c5h11o2-2 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h11o2-3 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h10ooh1-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1387.000 61 2.10114488e+01 2.40561226e-02-8.36616955e-06 1.31339875e-09-7.67917194e-14 2 -1.29757849e+04-7.89329903e+01 1.26957212e+00 6.92172253e-02-4.85626715e-05 3 1.80144791e-08-2.81415382e-12-5.92384799e+03 2.76017751e+01 4 c5h10ooh2-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh2-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10o1-2 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1382.000 61 1.83450823e+01 2.15894287e-02-7.59914917e-06 1.20265688e-09-7.07149348e-14 2 -2.52918816e+04-7.38748127e+01-2.50915891e+00 7.02820905e-02-5.23078154e-05 3 2.05330738e-08-3.37999472e-12-1.79263879e+04 3.83402738e+01 4 c5h10o1-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1370.000 61 1.85051134e+01 2.17909650e-02-7.74803799e-06 1.23453810e-09-7.29327086e-14 2 -2.62151881e+04-7.74524221e+01-2.70067147e+00 6.51234466e-02-3.97863209e-05 3 1.12983558e-08-1.18141056e-12-1.81611984e+04 3.87589334e+01 4 c5h10o1-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1371.000 61 1.77074517e+01 2.24725523e-02-7.98404192e-06 1.27146816e-09-7.50866945e-14 2 -3.63066445e+04-7.27392560e+01-3.94205066e+00 6.68440102e-02-4.09940878e-05 3 1.17684771e-08-1.26029870e-12-2.80943137e+04 4.58617150e+01 4 c5h10o1-5 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1457.000 61 2.13684109e+01 1.97321411e-02-7.12842160e-06 1.14789888e-09-6.83162787e-14 2 -3.89834904e+04-1.00032176e+02-3.02904503e+00 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 1387.000 61 2.31409808e+01 2.24801534e-02-7.87662916e-06 1.24282516e-09-7.29252729e-14 2 -5.36784029e+04-9.00538236e+01 1.09304151e-01 7.75997760e-02-5.94124810e-05 3 2.36744270e-08-3.89094338e-12-4.57495597e+04 3.32799795e+01 4 nc5ket24 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1385.000 61 2.25126387e+01 2.29495597e-02-8.02286486e-06 1.26389975e-09-7.40777420e-14 2 -5.38122195e+04-8.63788737e+01 2.19333641e+00 7.04050260e-02-5.15856312e-05 3 2.00741570e-08-3.28568948e-12-4.66368524e+04 2.29520202e+01 4 nc5ket25 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.19099644e+01 2.35018200e-02-8.22261497e-06 1.29606701e-09-7.59914647e-14 2 -5.13242006e+04-8.27708903e+01 2.76270425e+00 6.58724877e-02-4.45144578e-05 3 1.58213340e-08-2.38800145e-12-4.43093682e+04 2.11180678e+01 4 nc5ket31 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.17723599e+01 2.36116706e-02-8.25813864e-06 1.30129886e-09-7.62813000e-14 2 -5.13543364e+04-8.16385880e+01 3.14481499e+00 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 1395.000 61 2.06059936e+01 2.61750874e-02-8.92270421e-06 1.38184638e-09-8.00235870e-14 2 -4.07496333e+04-7.38943495e+01 2.70461132e+00 6.83289096e-02-4.77921008e-05 3 1.81238720e-08-2.90871344e-12-3.44822614e+04 2.22673007e+01 4 o2c5h10oh-2 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1398.000 61 2.15259930e+01 2.54039694e-02-8.65952886e-06 1.34110440e-09-7.76663740e-14 2 -4.32473477e+04-8.00796638e+01 1.89616952e+00 7.37918569e-02-5.55488679e-05 3 2.24979959e-08-3.79045894e-12-3.66230283e+04 2.45460172e+01 4 !wkm 12/10/10 c6h6 g 6/01c 6.h 6. 0. 0.g 200.000 6000.000 1000. 1 1.10809576e+01 2.07176746e-02-7.52145991e-06 1.22320984e-09-7.36091279e-14 2 4.30641035e+03-4.00413310e+01 5.04818632e-01 1.85020642e-02 7.38345881e-05 3 -1.18135741e-07 5.07210429e-11 8.55247913e+03 2.16412893e+01 9.96811598e+03 4 c*ccjc*c 3/1/95 z&b c 5h 7 0 0g 300.000 5000.000 1388.000 21 1.40879309e+01 1.62398907e-02-5.64768950e-06 8.86857524e-10-5.18698993e-14 2 1.76798698e+04-5.13735038e+01-2.94595603e+00 5.68783623e-02-4.31336497e-05 3 1.68169537e-08-2.67926433e-12 2.35156925e+04 3.98188778e+01 4 cc3h4 t12/81c 3h 4 0 0g 300.000 5000.00 1000.00 1 0.66999931e+01 0.10357372e-01-0.34551167e-05 0.50652949e-09-0.26682276e-13 2 0.30199051e+05-0.13378770e+02-0.24621047e-01 0.23197215e-01-0.18474357e-05 3 -0.15927593e-07 0.86846155e-11 0.32334137e+05 0.22729762e+02 0.3332728 e+05 4 c4h4 h6w/94c 4h 4 0 0g 300.000 3000.00 1000.00 1 0.66507092e+01 0.16129434e-01-0.71938875e-05 0.14981787e-08-0.11864110e-12 2 0.31195992e+05-0.97952118e+01-0.19152479e+01 0.52750878e-01-0.71655944e-04 3 0.55072423e-07-0.17286228e-10 0.32978504e+05 0.31419983e+02 4 c4h3-i ab1/93c 4h 3 0 0g 300.000 3000.00 1000.00 1 0.90978165e+01 0.92207119e-02-0.33878441e-05 0.49160498e-09-0.14529780e-13 2 0.56600574e+05-0.19802597e+02 0.20830412e+01 0.40834274e-01-0.62159685e-04 3 0.51679358e-07-0.17029184e-10 0.58005129e+05 0.13617462e+02 4 c4h612 a 8/83c 4h 6 0 0g 300. 3000. 1000.0 1 0.1781557e 02 -0.4257502e-02 0.1051185e-04 -0.4473844e-08 0.5848138e-12 2 0.1267342e 05 -0.6982662e 02 0.1023467e 01 0.3495919e-01 -0.2200905e-04 3 0.6942272e-08 -0.7879187e-12 0.1811799e 05 0.1975066e 02 0.1950807e+05 4 c6h5 t04/02c 6.h 5. 0. 0.g 200.000 6000.000 1000. 1 1.08444762e+01 1.73212473e-02-6.29233249e-06 1.02369961e-09-6.16216828e-14 2 3.55598475e+04-3.53735134e+01 2.10306633e-01 2.04745507e-02 5.89743006e-05 3 -1.01534255e-07 4.47105660e-11 3.95468722e+04 2.52910455e+01 4.08610970e+04 4 c4h2 121686c 4h 2 g 0300.00 5000.00 1000.00 1 0.09031407e+02 0.06047253e-01-0.01948789e-04 0.02754863e-08-0.01385608e-12 2 0.05294736e+06-0.02385068e+03 0.04005192e+02 0.01981000e+00-0.09865877e-04 3 -0.06635158e-07 0.06077413e-10 0.05424065e+06 0.01845737e+02 4 c4h3-n h6w/94c 4h 3 0 0g 300.000 3000.00 1000.00 1 0.54328279e+01 0.16860981e-01-0.94313109e-05 0.25703895e-08-0.27456309e-12 2 0.61600680e+05-0.15673981e+01-0.31684113e+00 0.46912100e-01-0.68093810e-04 3 0.53179921e-07-0.16523005e-10 0.62476199e+05 0.24622559e+02 4 c4h5-n h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 0.98501978e+01 0.10779008e-01-0.13672125e-05-0.77200535e-09 0.18366314e-12 2 0.38840301e+05-0.26001846e+02 0.16305321e+00 0.39830137e-01-0.34000128e-04 3 0.15147233e-07-0.24665825e-11 0.41429766e+05 0.23536163e+02 4 c4h5-i h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 0.10229092e+02 0.94850138e-02-0.90406445e-07-0.12596100e-08 0.24781468e-12 2 0.34642812e+05-0.28564529e+02-0.19932900e-01 0.38005672e-01-0.27559450e-04 3 0.77835551e-08 0.40209383e-12 0.37496223e+05 0.24394241e+02 4 ch3chchco t03/97c 4h 5o 1 0g 200.000 6000.000 1000.0 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 1.48898740e+03-1.79662460e+01-1.08199860e+00 3.64929760e-02-1.52255950e-05 3 -5.62607170e-18 2.16113750e-21 3.56713230e+03 3.27142550e+01 4.73074990e+03 4 ch2chchcho t03/97c 4h 5o 1 0g 200.000 6000.000 1000.0 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 1.48898740e+03-1.79662460e+01-1.08199860e+00 3.64929760e-02-1.52255950e-05 3 -5.62607170e-18 2.16113750e-21 3.56713230e+03 3.27142550e+01 4.73074990e+03 4 c4h6o25 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 -1.76177415e+04-2.32464750e+01 2.67053463e+00 4.92586420e-03 8.86967406e-05 3 -1.26219194e-07 5.23991321e-11-1.46572472e+04 1.45722395e+01-1.30831522e+04 4 c2h3choch2 a 8/83c 4h 6o 1 0g 300. 3000. 1000.0 1 -4.72093360e+00 3.91413780e-02-6.52872650e-06-7.68209500e-09 2.51473310e-12 2 1.75352252e+03 5.17190420e+01 7.97985440e-01 3.44034320e-02-1.24598510e-05 3 -5.18062790e-18 1.99359540e-21-6.48927540e+02 2.18896980e+01 1.00654250e+03 4 c4h5-2 h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 1.45381710e+01-8.56770560e-03 2.35595240e-05-1.36763790e-08 2.44369270e-12 2 3.32590950e+04-4.53694970e+01 2.96962800e+00 2.44422450e-02-9.12514240e-06 3 -4.24668710e-18 1.63047280e-21 3.55033160e+04 1.20360510e+01 3.73930550e+04 4 c4h6-2 a 8/83c 4h 6 0 0g 300. 3000. 1000.0 1 9.0338133e+00 8.2124510e-03 7.1753952e-06 -5.8834334e-09 1.0343915e-12 2 1.4335068e+04 -2.0985762e+01 2.1373338e+00 2.6486229e-02 -9.0568711e-06 3 -5.5386397e-19 2.1281884e-22 1.5710902e+04 1.3529426e+01 1.7488676e+04 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 6.h 5.o 1. 0.g 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 5.h 4.o 1. 0.g 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 5.h 5.o 1. 0.g 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 !wkm therm from princeton days !c2h2oh 1/26/ 9 wkm c 2h 3o 1 0g 300.000 5000.000 1470.000 11 ! 6.93453102e+00 7.23098468e-03-1.99956432e-06 1.43274685e-10 5.18910992e-15 2 ! 1.28905371e+04-1.02350453e+01 1.43806872e+00 2.93422585e-02-2.90685031e-05 3 ! 1.38331994e-08-2.56485091e-12 1.32889028e+04 1.50985534e+01 4 !Hf from average of atomisation technique of cbs-qb3, cbs-apno and g3. Frequencies from !tight mp2/6-311g(d,p) calc, scaled by 0.9496. Hindered rotor accounted for. !This is the minimum energy trans conformer 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 !!!! !!! !!! !!! added for mani butanol mech !!! nc4h9oh 2/12/ 9 thermc 4h 10o 1 0g 300.000 5000.000 1404.000 41 1.49262803e+01 2.15140503e-02-7.28619800e-06 1.12363099e-09-6.48833180e-14 2 -4.06081405e+04-5.23687225e+01-6.33228274e-01 5.61201189e-02-3.58348685e-05 3 1.14386491e-08-1.42875375e-12-3.50657543e+04 3.17521588e+01 4 c4h8oh-1 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1405.000 41 1.48734893e+01 1.90136213e-02-6.42348232e-06 9.88881867e-10-5.70317709e-14 2 -1.85084580e+04-5.03291171e+01 9.92816677e-01 5.09978376e-02-3.43044074e-05 3 1.19151741e-08-1.67980076e-12-1.36663743e+04 2.43356323e+01 4 c4h8oh-2 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1503.000 41 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67631276e+04-4.41162528e+01 1.20329680e+00 4.40218297e-02-2.12295754e-05 3 3.03714993e-09 3.72027554e-13-1.18622440e+04 2.65515175e+01 4 c4h8oh-3 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1503.000 41 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67631276e+04-4.41162528e+01 1.20329680e+00 4.40218297e-02-2.12295754e-05 3 3.03714993e-09 3.72027554e-13-1.18622440e+04 2.65515175e+01 4 c4h8oh-4 2/12/ 9 thermc 4h 9o 1 0g 300.000 5000.000 1406.000 41 1.45278553e+01 1.93383439e-02-6.54321028e-06 1.00843938e-09-5.82077572e-14 2 -1.55405137e+04-4.73600837e+01 1.92786983e-01 5.14523708e-02-3.32585119e-05 3 1.07551079e-08-1.36211928e-12-1.04657146e+04 3.00450977e+01 4 c4h6oh1-43 12/22/8 thermc 4h 7o 1 0g 300.000 5000.000 1395.000 21 1.32533733e+01 1.61728245e-02-5.45336602e-06 8.38721928e-10-4.83472996e-14 2 -7.09773596e+03-4.27798406e+01 5.46057117e-01 4.58530232e-02-3.19247307e-05 3 1.15775262e-08-1.72120410e-12-2.69575051e+03 2.54486970e+01 4 c4h7oh1-1 1/ 9/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1400.000 31 1.44612867e+01 1.71471992e-02-5.75989418e-06 8.83304217e-10-5.08053961e-14 2 -2.79941834e+04-5.06228722e+01-1.18168398e+00 5.97645754e-02-5.14756807e-05 3 2.34495059e-08-4.30429836e-12-2.31416659e+04 3.12800130e+01 4 c4h6oh1-13 1/ 9/ 9 thrmc 4h 7o 1 0g 300.000 5000.000 1401.000 21 1.40552233e+01 1.54543967e-02-5.19600255e-06 7.97456597e-10-4.58972706e-14 2 -9.84732268e+03-4.96781050e+01-1.44169033e+00 5.77093464e-02-5.03763475e-05 3 2.29680586e-08-4.19598463e-12-5.06515180e+03 3.14119049e+01 4 c4h5oh-13 1/ 9/ 9 thermc 4h 6o 1 0g 300.000 5000.000 1405.000 21 1.42092565e+01 1.28599656e-02-4.31562002e-06 6.61230974e-10-3.80036953e-14 2 -1.42204459e+04-5.00577460e+01-1.78823113e+00 6.21534945e-02-6.31373658e-05 3 3.21780373e-08-6.33964294e-12-9.81971868e+03 3.16907923e+01 4 c4h7oh2-1 12/22/ 8 thermc 4h 8o 1 0g 300.000 5000.000 1386.000 31 1.28147192e+01 1.86083756e-02-6.28026171e-06 9.66423450e-10-5.57277452e-14 2 -2.53363676e+04-4.02404767e+01 1.64307376e+00 4.05262150e-02-2.08714251e-05 3 4.42296912e-09-1.58661274e-13-2.10384127e+04 2.12411211e+01 4 c4h7oh1-4 12/22/ 8 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 31 1.36751746e+01 1.79085154e-02-6.04472085e-06 9.30195942e-10-5.36379271e-14 2 -2.48675726e+04-4.43697900e+01-5.01376483e-01 5.12577299e-02-3.59905477e-05 3 1.31423364e-08-1.96122769e-12-1.99888259e+04 3.16483932e+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 c4h5 h6w/94c 4h 5 0 0g 300.000 3000.000 1 0.98501978e+01 0.10779008e-01-0.13672125e-05-0.77200535e-09 0.18366314e-12 2 0.38840301e+05-0.26001846e+02 0.16305321e+00 0.39830137e-01-0.34000128e-04 3 0.15147233e-07-0.24665825e-11 0.41429766e+05 0.23536163e+02 4 sc4h9oh 5/15/10 thermc 4h 10o 1 0g 300.000 5000.000 1399.000 41 1.61286666e+01 1.96312575e-02-6.46853793e-06 9.80178833e-10-5.59417724e-14 2 -4.30695121e+04-5.97111570e+01-3.14971073e-01 5.54805197e-02-3.42666346e-05 3 9.72620655e-09-9.04559948e-13-3.72415744e+04 2.92787758e+01 4 sc4h8ohm 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1486.000 41 1.62323637e+01 1.77621189e-02-5.98899323e-06 9.22205005e-10-5.32394983e-14 2 -1.77676827e+04-5.82256275e+01 1.27641612e+00 4.58145342e-02-2.16701918e-05 3 2.18504122e-09 7.16497136e-13-1.20187032e+04 2.43183444e+01 4 sc4h8oh-1 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1484.000 41 1.46214981e+01 1.85848519e-02-6.15342339e-06 9.35523496e-10-5.35175724e-14 2 -2.14683115e+04-4.79355331e+01 2.69661428e+00 3.96410714e-02-1.59800743e-05 3 1.23395286e-10 9.71728994e-13-1.67435035e+04 1.83604832e+01 4 sc4h8oh-2 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1392.000 41 1.48421985e+01 1.78435665e-02-6.16709050e-06 1.00443458e-09-6.10697983e-14 2 -1.78695010e+04-4.90082079e+01-1.04565044e+00 5.72423420e-02-4.43109142e-05 3 1.80944672e-08-3.02843329e-12-1.25698404e+04 3.55278306e+01 4 sc4h8oh-3 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1486.000 41 1.62323637e+01 1.77621189e-02-5.98899323e-06 9.22205005e-10-5.32394983e-14 2 -1.84722625e+04-5.82256275e+01 1.27641612e+00 4.58145342e-02-2.16701918e-05 3 2.18504122e-09 7.16497136e-13-1.27232830e+04 2.43183444e+01 4 tc4h9oh 5/15/10 thermc 4h 10o 1 0g 300.000 5000.000 1398.000 41 1.51649417e+01 2.13150096e-02-7.21750824e-06 1.11283831e-09-6.42498939e-14 2 -4.51552516e+04-5.75126755e+01-6.16810479e-01 5.93246469e-02-4.28640709e-05 3 1.65888214e-08-2.67494250e-12-3.97604667e+04 2.68860116e+01 4 tc4h8oh 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1398.000 41 1.47375554e+01 1.91807087e-02-6.49227990e-06 1.00076220e-09-5.77690579e-14 2 -1.86754850e+04-5.12562176e+01 1.51511632e-01 5.47779074e-02-4.03995549e-05 3 1.59609465e-08-2.61959493e-12-1.37385613e+04 2.65782496e+01 4 ic4h9oh 5/15/10 thermc 4h 10o 1 0g 300.000 5000.000 1394.000 41 1.47423131e+01 2.19843767e-02-7.51584192e-06 1.16633393e-09-6.76421638e-14 2 -4.16616600e+04-5.28466211e+01-8.37465362e-01 5.76520639e-02-3.90215462e-05 3 1.40131231e-08-2.11159111e-12-3.61265628e+04 3.11701525e+01 4 ic4h8oh-1 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1394.000 41 1.47534591e+01 1.94562034e-02-6.64962082e-06 1.03168447e-09-5.98230740e-14 2 -1.96083049e+04-5.12242842e+01 5.33515225e-01 5.34789056e-02-3.86598545e-05 3 1.51267168e-08-2.49240649e-12-1.46841926e+04 2.49704750e+01 4 ic4h8oh-2 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1394.000 41 1.43192822e+01 1.98485473e-02-6.79059389e-06 1.05430977e-09-6.11666443e-14 2 -1.83544329e+04-4.88096079e+01-4.98328165e-02 5.30373754e-02-3.64646068e-05 3 1.33332366e-08-2.04587041e-12-1.32787223e+04 2.85746947e+01 4 ic4h8oh-3 5/15/10 thermc 4h 9o 1 0g 300.000 5000.000 1394.000 41 1.43192822e+01 1.98485473e-02-6.79059389e-06 1.05430977e-09-6.11666443e-14 2 -1.65929835e+04-4.77124766e+01-4.98328165e-02 5.30373754e-02-3.64646068e-05 3 1.33332366e-08-2.04587041e-12-1.15172729e+04 2.96718261e+01 4 c3h6oh-2 5/15/10 thermc 3h 7o 1 0g 300.000 5000.000 1530.000 31 1.08612250e+01 1.49944440e-02-4.99956622e-06 7.63352693e-10-4.37872385e-14 2 -1.17006131e+04-2.85286286e+01 1.38218609e+00 3.22641651e-02-1.39820294e-05 3 9.59442093e-10 5.73234299e-13-7.99050293e+03 2.39928393e+01 4 c3h6oh-1 5/15/10 thermc 3h 7o 1 0g 300.000 5000.000 1401.000 31 1.14914460e+01 1.48556953e-02-5.02888291e-06 7.75157618e-10-4.47423059e-14 2 -1.45014891e+04-3.35712772e+01 1.31781034e+00 3.85018240e-02-2.61358793e-05 3 9.39954865e-09-1.40537401e-12-1.09450432e+04 2.11274386e+01 4 ch3chchoh 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 ic3h7oh 5/15/10 thermc 3h 8o 1 0g 300.000 5000.000 1415.000 31 1.20292121e+01 1.56447567e-02-5.03394419e-06 7.49707610e-10-4.22464398e-14 2 -3.85170962e+04-3.89292528e+01-8.36116329e-02 4.55486449e-02-3.30007032e-05 3 1.24834721e-08-1.90033322e-12-3.45551308e+04 2.54128160e+01 4 ic3h6oh-1 11/19/ 9 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 -1.72431162e+04-3.18911926e+01 1.09670360e+00 3.80727565e-02-2.75022497e-05 3 1.07477493e-08-1.74895773e-12-1.37845514e+04 2.22475799e+01 4 ic3h6oh 5/15/10 thermc 3h 7o 1 0g 300.000 5000.000 1393.000 31 1.21110527e+01 1.33516289e-02-4.71470005e-06 7.86163280e-10-4.86392323e-14 2 -1.31232286e+04-3.70534560e+01 8.16696807e-02 4.34236599e-02-3.40694786e-05 3 1.40356623e-08-2.36274037e-12-9.13849541e+03 2.68605659e+01 4 ic3h5oh 11/23/ 9 c 3h 6o 1 0g 300.000 5000.000 1405.000 21 1.21621106e+01 1.20411664e-02-4.03021153e-06 6.16302910e-10-3.53701974e-14 2 -2.60460030e+04-4.12659070e+01-9.56994552e-01 5.22711668e-02-5.19795372e-05 3 2.63315795e-08-5.18631177e-12-2.24033513e+04 2.58662769e+01 4 c4h7oh2-2 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1402.000 31 1.48692662e+01 1.68753658e-02-5.67925236e-06 8.71818963e-10-5.01730329e-14 2 -3.13385238e+04-5.47027717e+01-7.32340824e-01 6.15686123e-02-5.61186359e-05 3 2.68938880e-08-5.12983004e-12-2.66881030e+04 2.62558548e+01 4 c4h7oh1-2 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1404.000 31 1.54923125e+01 1.63665424e-02-5.50846045e-06 8.45669968e-10-4.86716947e-14 2 -3.01194213e+04-5.76588163e+01-2.22860953e+00 6.91329827e-02-6.68957198e-05 3 3.31870528e-08-6.44723951e-12-2.50504143e+04 3.35656758e+01 4 c4h7oh1-3 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1398.000 31 1.50127424e+01 1.62207114e-02-5.35572556e-06 8.12677506e-10-4.64264881e-14 2 -2.67304337e+04-5.31769545e+01-1.81269400e+00 5.94830667e-02-4.83143692e-05 3 2.02853169e-08-3.42392871e-12-2.13476100e+04 3.56752880e+01 4 ic3h7cho 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1394.000 31 1.29448127e+01 1.86020757e-02-6.29697027e-06 9.70674597e-10-5.60317631e-14 2 -3.33889835e+04-4.25141593e+01 1.22518285e+00 4.48245997e-02-2.87283116e-05 3 9.75591849e-09-1.39154218e-12-2.91631756e+04 2.09037472e+01 4 ic3h6choh 11/23/ 9 thermc 4h 8o 1 0g 300.000 5000.000 1400.000 31 1.43069417e+01 1.72823173e-02-5.80601171e-06 8.90343592e-10-5.12054721e-14 2 -2.99768303e+04-5.06124107e+01 4.83554229e-01 5.37593745e-02-4.38037194e-05 3 1.92101541e-08-3.44527357e-12-2.55598907e+04 2.22003696e+01 4 ic3h5ch2oh 11/23/9 thermc 4h 8o 1 0g 300.000 5000.000 1389.000 31 1.32471822e+01 1.83544422e-02-6.21537679e-06 9.58477216e-10-5.53476999e-14 2 -2.61082281e+04-4.30909505e+01 1.78074635e+00 4.26830834e-02-2.52896648e-05 3 7.50850814e-09-8.82420001e-13-2.18516594e+04 1.94104654e+01 4 c3h5oh1-1 11/23/ 9 thermc 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 c2h5oc2h5 12/17/ 9 thermc 4h 10o 1 0g 300.000 5000.000 1392.000 41 1.45377576e+01 2.21963733e-02-7.59802436e-06 1.18015179e-09-6.84882522e-14 2 -3.81589471e+04-5.16436045e+01-1.33276421e+00 5.83026596e-02-3.92679338e-05 3 1.40080516e-08-2.09895739e-12-3.24927921e+04 3.40306008e+01 4 ch3oc2h5 12/18/ 9 thermc 3h 8o 1 0g 300.000 5000.000 1386.000 31 1.09231750e+01 1.80866674e-02-6.18825380e-06 9.60841915e-10-5.57462954e-14 2 -3.21261301e+04-3.30811791e+01 5.76428759e-01 3.83964415e-02-2.02122811e-05 3 4.81484224e-09-3.60292839e-13-2.80907136e+04 2.39502553e+01 4 ch2oc2h5 12/18/ 9 thermc 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.20601861e+01 1.46340803e-02-5.01160915e-06 7.78731223e-10-4.52074955e-14 2 -1.02771442e+04-3.80109816e+01-4.16625666e-01 4.45082256e-02-3.27184839e-05 3 1.26234312e-08-2.00837172e-12-6.00768809e+03 2.87542884e+01 4 ! ! Added by mani for modified mechanism c4h6oh1-32 12/22/8 thermc 4h 7o 1 0g 300.000 5000.000 1395.000 21 1.32533733e+01 1.61728245e-02-5.45336602e-06 8.38721928e-10-4.83472996e-14 2 -7.09773596e+03-4.27798406e+01 5.46057117e-01 4.58530232e-02-3.19247307e-05 3 1.15775262e-08-1.72120410e-12-2.69575051e+03 2.54486970e+01 4 hcchoh 8/13/ 7 thermc 2h 3o 1 0g 300.000 5000.000 1411.000 1 8.08589999e+00 5.40439348e-03-1.55258652e-06 2.13486072e-10-1.14112108e-14 2 1.16372053e+04-1.65147643e+01 9.99819422e-01 2.70273221e-02-2.66916711e-05 3 1.32529706e-08-2.53537494e-12 1.35529195e+04 1.96798606e+01 ch2coh 8/13/ 7 thermc 2h 3o 1 0g 300.000 5000.000 1408.000 1 7.67940243e+00 5.63609321e-03-1.57911872e-06 2.14057857e-10-1.13615509e-14 2 1.06531188e+04-1.40057705e+01 1.85296033e+00 2.20741770e-02-1.93718642e-05 3 8.89896145e-09-1.61108469e-12 1.23550086e+04 1.62184602e+01 4 ! ! !Added for mani low T mech (apr 28) c4h8oh-1o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1397.000 61 2.24305700e+01 2.00916042e-02-6.95451526e-06 1.08866855e-09-6.35358508e-14 2 -5.93848544e+04-8.79227292e+01 1.75612174e+00 6.72860039e-02-4.71674428e-05 3 1.62375319e-08-2.18438490e-12-5.21773930e+04 2.33648921e+01 4 c4h8oh-1o2 5/ 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 1.89120862e+01 2.02526112e-02-6.94225752e-06 1.07921529e-09-6.26651805e-14 2 -4.07970291e+04-6.69028617e+01 3.61860607e+00 5.68332133e-02-4.12486845e-05 3 1.60924891e-08-2.63256932e-12-3.55106319e+04 1.50300425e+01 4 c4h8oh-2o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1398.000 61 1.99114530e+01 2.18266369e-02-7.45937293e-06 1.15739011e-09-6.71188419e-14 2 -5.48679537e+04-7.28646300e+01 1.88751677e+00 6.53048412e-02-4.82017503e-05 3 1.87879791e-08-3.02614387e-12-4.87269354e+04 2.34786452e+01 4 c4h8oh-2o2 5/ 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.79101133e+01 2.11247449e-02-7.24787505e-06 1.12742547e-09-6.54930094e-14 2 -3.71878276e+04-6.12769774e+01 2.89779336e+00 5.60720331e-02-3.90996379e-05 3 1.47174953e-08-2.34862827e-12-3.18812119e+04 1.95265598e+01 4 c4h8oh-3o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1398.000 61 1.99114530e+01 2.18266369e-02-7.45937293e-06 1.15739011e-09-6.71188419e-14 2 -5.48679537e+04-7.28646300e+01 1.88751677e+00 6.53048412e-02-4.82017503e-05 3 1.87879791e-08-3.02614387e-12-4.87269354e+04 2.34786452e+01 4 c4h8oh-3o2 5/ 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.79101133e+01 2.11247449e-02-7.24787505e-06 1.12742547e-09-6.54930094e-14 2 -3.71878276e+04-6.12769774e+01 2.89779336e+00 5.60720331e-02-3.90996379e-05 3 1.47174953e-08-2.34862827e-12-3.18812119e+04 1.95265598e+01 4 c4h8oh-4o2h 5/11 thermc 4h 10o 3 0g 300.000 5000.000 1393.000 61 1.95531252e+01 2.22361839e-02-7.62401484e-06 1.18553083e-09-6.88564048e-14 2 -5.30670798e+04-6.95572597e+01 2.75594335e+00 6.02184792e-02-4.03721615e-05 3 1.40520212e-08-2.01953800e-12-4.70787552e+04 2.11482111e+01 4 c4h8oh-4o2 5/5/11 thermc 4h 9o 3 0g 300.000 5000.000 1388.000 61 1.75586380e+01 2.15198644e-02-7.40582990e-06 1.15435922e-09-6.71541516e-14 2 -3.53892514e+04-5.80067387e+01 3.77316700e+00 5.09446817e-02-3.11984541e-05 3 9.92963878e-09-1.32919596e-12-3.02338172e+04 1.71660161e+01 4 c4h8oh-1oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1399.000 51 1.75814213e+01 2.15909691e-02-7.35805955e-06 1.13950448e-09-6.59940221e-14 2 -6.47306818e+04-6.42026932e+01 8.80810413e-01 6.02267253e-02-4.14401804e-05 3 1.47959727e-08-2.16448460e-12-5.88975226e+04 2.56150257e+01 4 c4h8oh-1o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.79799050e+01 1.91216206e-02-6.59971082e-06 1.03095808e-09-6.00742839e-14 2 -3.86716567e+04-6.66621557e+01 1.01830660e+00 5.76337397e-02-3.95938441e-05 3 1.37264966e-08-1.91369187e-12-3.26876094e+04 2.47968398e+01 4 c4h8oh-2oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 c4h8oh-2o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 c4h8oh-3oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 c4h8oh-3o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 c4h8oh-4oh 5/5/11 thermc 4h 10o 2 0g 300.000 5000.000 1393.000 51 1.62002105e+01 2.22792128e-02-7.49311490e-06 1.15030131e-09-6.62180148e-14 2 -5.91991455e+04-5.52415700e+01 4.36199117e-01 5.88838873e-02-4.01748133e-05 3 1.45423227e-08-2.19303383e-12-5.36832287e+04 2.95314034e+01 4 c4h8oh-4o 5/ 5/11 thermc 4h 9o 2 0g 300.000 5000.000 1389.000 51 1.64247874e+01 2.01733775e-02-6.90353462e-06 1.07228062e-09-6.22346445e-14 2 -3.30871457e+04-5.60701064e+01 6.01619917e-01 5.63612108e-02-3.86672229e-05 3 1.38719334e-08-2.06647090e-12-2.74825034e+04 2.92394417e+01 4 c4h7oh-1ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1399.000 61 1.99606162e+01 1.93791633e-02-6.64705238e-06 1.03395417e-09-6.00686943e-14 2 -3.47220187e+04-7.01918988e+01 3.71800924e+00 5.66057456e-02-3.89365694e-05 3 1.36468141e-08-1.93330667e-12-2.90287204e+04 1.72622482e+01 4 c4h7oh-1ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1399.000 61 1.99606162e+01 1.93791633e-02-6.64705238e-06 1.03395417e-09-6.00686943e-14 2 -3.47220187e+04-7.01918988e+01 3.71800924e+00 5.66057456e-02-3.89365694e-05 3 1.36468141e-08-1.93330667e-12-2.90287204e+04 1.72622482e+01 4 c4h7oh-1ooh-4 11 thermc 4h 9o 3 0g 300.000 5000.000 1400.000 61 2.04580281e+01 1.89141031e-02-6.47616363e-06 1.00610640e-09-5.83971100e-14 2 -3.34207225e+04-7.32367175e+01 3.11211787e+00 6.25689244e-02-4.94225250e-05 3 2.05292318e-08-3.48600782e-12-2.76996749e+04 1.88264124e+01 4 c4h7oh-2ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-2ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-2ooh-4 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 1.94831158e+01 1.97022449e-02-6.73955581e-06 1.04636467e-09-6.07074690e-14 2 -2.97995491e+04-6.77107460e+01 2.66799201e+00 6.07030703e-02-4.56568938e-05 3 1.81179746e-08-2.96348679e-12-2.41159970e+04 2.20126699e+01 4 c4h7oh-3ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-3ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1386.000 61 1.98248103e+01 1.86203271e-02-6.21190922e-06 9.49491968e-10-5.45275945e-14 2 -3.13510418e+04-6.92022341e+01 2.87544649e+00 5.64465881e-02-3.71201866e-05 3 1.17976445e-08-1.40574901e-12-2.53859976e+04 2.22914488e+01 4 c4h7oh-3ooh-4 5/11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 1.94831158e+01 1.97022449e-02-6.73955581e-06 1.04636467e-09-6.07074690e-14 2 -2.97995491e+04-6.77107460e+01 2.66799201e+00 6.07030703e-02-4.56568938e-05 3 1.81179746e-08-2.96348679e-12-2.41159970e+04 2.20126699e+01 4 c4h7oh-4ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1375.000 61 1.96562682e+01 1.89501927e-02-6.36650478e-06 9.77839218e-10-5.63478109e-14 2 -2.96711333e+04-6.71013374e+01 3.27400929e+00 5.30234114e-02-3.10153532e-05 3 7.83177325e-09-5.27518469e-13-2.36578741e+04 2.22123402e+01 4 c4h7oh-4ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1375.000 61 1.96562682e+01 1.89501927e-02-6.36650478e-06 9.77839218e-10-5.63478109e-14 2 -2.96711333e+04-6.71013374e+01 3.27400929e+00 5.30234114e-02-3.10153532e-05 3 7.83177325e-09-5.27518469e-13-2.36578741e+04 2.22123402e+01 4 c4h7oh-4ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1375.000 61 1.96562682e+01 1.89501927e-02-6.36650478e-06 9.77839218e-10-5.63478109e-14 2 -2.96711333e+04-6.71013374e+01 3.27400929e+00 5.30234114e-02-3.10153532e-05 3 7.83177325e-09-5.27518469e-13-2.36578741e+04 2.22123402e+01 4 c4h7oh-1ooh-2ooh thermc 4h 10o 5 0g 300.000 5000.000 1404.000 81 2.66668461e+01 2.04537001e-02-7.01317080e-06 1.09069778e-09-6.33585011e-14 2 -7.28516261e+04-1.03291432e+02 4.21034692e+00 7.88719199e-02-6.61728887e-05 3 2.85786897e-08-4.95858618e-12-6.56848815e+04 1.51386031e+01 4 c4h7oh-1ooh-2o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-2ooh-1o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-1ooh-3ooh thermc 4h 10o 5 0g 300.000 5000.000 1404.000 81 2.66668461e+01 2.04537001e-02-7.01317080e-06 1.09069778e-09-6.33585011e-14 2 -7.28516261e+04-1.03291432e+02 4.21034692e+00 7.88719199e-02-6.61728887e-05 3 2.85786897e-08-4.95858618e-12-6.56848815e+04 1.51386031e+01 4 c4h7oh-1ooh-3o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-3ooh-1o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1400.000 81 2.47054669e+01 1.96541583e-02-6.75423230e-06 1.05192223e-09-6.11636036e-14 2 -5.51718478e+04-9.18952610e+01 5.24253885e+00 6.95694331e-02-5.69274095e-05 3 2.43580632e-08-4.23410458e-12-4.88435872e+04 1.10772891e+01 4 c4h7oh-2ooh-3ooh thermc 4h 10o 5 0g 300.000 5000.000 1396.000 81 2.48850520e+01 2.21836650e-02-7.65866388e-06 1.19659650e-09-6.97347676e-14 2 -6.92125489e+04-9.37752008e+01 3.08310380e+00 7.51547041e-02-5.74937402e-05 3 2.27668239e-08-3.67937766e-12-6.18522925e+04 2.25791290e+01 4 c4h7oh-2ooh-3o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.36719411e+01 2.05751255e-02-7.08127339e-06 1.10392970e-09-6.42301320e-14 2 -5.15463449e+04-8.60806755e+01 4.75209184e+00 6.78608013e-02-5.34336966e-05 3 2.21852722e-08-3.78003417e-12-4.52511232e+04 1.44907043e+01 4 c4h7oh-3ooh-2o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.36719411e+01 2.05751255e-02-7.08127339e-06 1.10392970e-09-6.42301320e-14 2 -5.15463449e+04-8.60806755e+01 4.75209184e+00 6.78608013e-02-5.34336966e-05 3 2.21852722e-08-3.78003417e-12-4.52511232e+04 1.44907043e+01 4 c4h7oh-2ooh-4ooh thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.44728134e+01 2.26213500e-02-7.82917120e-06 1.22525750e-09-7.14867718e-14 2 -6.73920512e+04-9.01604594e+01 3.84746263e+00 7.03825138e-02-5.01335547e-05 3 1.83259474e-08-2.73789991e-12-6.01834537e+04 2.07663458e+01 4 c4h7oh-2ooh-4o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-4ooh-2o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-3ooh-4ooh thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.44728134e+01 2.26213500e-02-7.82917120e-06 1.22525750e-09-7.14867718e-14 2 -6.73920512e+04-9.01604594e+01 3.84746263e+00 7.03825138e-02-5.01335547e-05 3 1.83259474e-08-2.73789991e-12-6.01834537e+04 2.07663458e+01 4 c4h7oh-3ooh-4o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-4ooh-3o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33188012e+01 2.09756942e-02-7.24198033e-06 1.13138223e-09-6.59250371e-14 2 -4.97483440e+04-8.28042082e+01 5.60899607e+00 6.28058582e-02-4.56335970e-05 3 1.74592441e-08-2.77429066e-12-4.36006628e+04 1.22177771e+01 4 c4h7oh-1ooh-4ooh thermc 4h 10o 5 0g 300.000 5000.000 1401.000 81 2.63107006e+01 2.08559141e-02-7.17402317e-06 1.11811195e-09-6.50481747e-14 2 -7.10447596e+04-9.99809561e+01 5.18645774e+00 7.33889711e-02-5.77971590e-05 3 2.35140930e-08-3.88007923e-12-6.40553900e+04 1.22913571e+01 4 c4h7oh-1ooh-4o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1396.000 81 2.43472527e+01 2.00694370e-02-6.92223210e-06 1.08073775e-09-6.29467600e-14 2 -5.33775968e+04-8.86046209e+01 5.95730707e+00 6.50834908e-02-4.99389994e-05 3 2.01268542e-08-3.33681796e-12-4.71697947e+04 9.47646758e+00 4 c4h7oh-4ooh-1o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1396.000 81 2.43472527e+01 2.00694370e-02-6.92223210e-06 1.08073775e-09-6.29467600e-14 2 -5.33775968e+04-8.86046209e+01 5.95730707e+00 6.50834908e-02-4.99389994e-05 3 2.01268542e-08-3.33681796e-12-4.71697947e+04 9.47646758e+00 4 c4ohket1-2 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1400.000 61 2.26869677e+01 1.72992036e-02-5.98355488e-06 9.36157440e-10-5.46124891e-14 2 -7.84138046e+04-9.04022182e+01 8.52652906e-02 7.76940260e-02-6.89792026e-05 3 3.10732076e-08-5.56678759e-12-7.13527909e+04 2.82411775e+01 4 c4ohket1-3 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.15061207e+01 1.82242002e-02-6.28433969e-06 9.81117783e-10-5.71471509e-14 2 -7.90045198e+04-8.28778210e+01 2.52579036e+00 6.70741287e-02-5.57888310e-05 3 2.42518437e-08-4.28225979e-12-7.28293364e+04 1.75173625e+01 4 c4ohket1-4 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1390.000 61 2.11521418e+01 1.86270177e-02-6.44609279e-06 1.00875650e-09-5.88536630e-14 2 -7.72053848e+04-7.95948028e+01 3.40308728e+00 6.19467565e-02-4.78938062e-05 3 1.94726653e-08-3.26570147e-12-7.11824756e+04 1.51460697e+01 4 c4ohket2-1 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.12924728e+01 1.84854934e-02-6.39052328e-06 9.99235156e-10-5.82604271e-14 2 -7.17983126e+04-7.67044732e+01 4.69717036e+00 5.90263474e-02-4.52484886e-05 3 1.83435414e-08-3.07502870e-12-6.61653195e+04 1.18723376e+01 4 c4ohket2-3 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1396.000 61 2.19367270e+01 1.80406285e-02-6.26171080e-06 9.81855896e-10-5.73639516e-14 2 -6.64546784e+04-8.13588272e+01-4.45736457e+00 9.47202096e-02-9.37478682e-05 3 4.64802131e-08-8.99314409e-12-5.87131282e+04 5.51970961e+01 4 c4ohket2-4 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1390.000 61 2.03288579e+01 1.95151635e-02-6.79334645e-06 1.06714494e-09-6.24203869e-14 2 -6.52322137e+04-7.01674285e+01-9.51453003e-01 7.81774321e-02-7.16124561e-05 3 3.43460761e-08-6.59815759e-12-5.85718006e+04 4.12253693e+01 4 c4ohket3-1 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.12924728e+01 1.84854934e-02-6.39052328e-06 9.99235156e-10-5.82604271e-14 2 -7.17379201e+04-7.67044732e+01 4.69717036e+00 5.90263474e-02-4.52484886e-05 3 1.83435414e-08-3.07502870e-12-6.61049270e+04 1.18723376e+01 4 c4ohket3-2 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1397.000 61 2.16548128e+01 1.80943932e-02-6.23992007e-06 9.74312467e-10-5.67589768e-14 2 -6.75867645e+04-7.95917929e+01 1.13948571e+00 7.06039200e-02-5.86385535e-05 3 2.50476013e-08-4.31329319e-12-6.09388107e+04 2.89321700e+01 4 c4ohket3-4 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1395.000 61 2.13468247e+01 1.82026232e-02-6.24295542e-06 9.71182648e-10-5.64298828e-14 2 -6.52014967e+04-7.57363864e+01 1.51406971e+00 7.07101744e-02-6.09594567e-05 3 2.73129635e-08-4.92725229e-12-5.89050272e+04 2.86321980e+01 4 c4ohket4-1 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1396.000 61 2.15777583e+01 1.81482247e-02-6.25278351e-06 9.75475599e-10-5.67846025e-14 2 -6.79802944e+04-7.75384747e+01 5.16734915e+00 5.88905025e-02-4.59621107e-05 3 1.89633950e-08-3.22082690e-12-6.24845533e+04 9.80401364e+00 4 c4ohket4-2 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1391.000 61 2.09630251e+01 1.82984346e-02-6.22814300e-06 9.64119827e-10-5.58335663e-14 2 -6.44843461e+04-7.40092136e+01 4.05634023e+00 5.96799750e-02-4.56587910e-05 3 1.83348510e-08-3.02425615e-12-5.87928450e+04 1.61369991e+01 4 c4ohket4-3 5/5/11 thermc 4h 8o 4 0g 300.000 5000.000 1398.000 61 2.22069899e+01 1.72661234e-02-5.87916039e-06 9.10526177e-10-5.27529796e-14 2 -6.39138909e+04-8.18821573e+01 1.47177565e+00 7.08974530e-02-5.96400431e-05 3 2.55726558e-08-4.38670026e-12-5.72937135e+04 2.75349513e+01 4 c4h7oho1-2 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1405.000 31 1.76143580e+01 1.76039029e-02-6.04916973e-06 9.42340859e-10-5.48099952e-14 2 -4.49548059e+04-6.85230344e+01-2.01746862e+00 6.56145785e-02-5.08422542e-05 3 1.98532251e-08-3.09580926e-12-3.84409322e+04 3.60000856e+01 4 c4h7oho1-3 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1403.000 21 1.62428079e+01 1.91411143e-02-6.56649059e-06 1.02163634e-09-5.93649021e-14 2 -4.54827956e+04-6.23942761e+01-3.34050908e+00 6.74933086e-02-5.25480881e-05 3 2.09908268e-08-3.38682231e-12-3.89927030e+04 4.17711603e+01 4 c4h7oho1-4 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1401.000 21 1.53974801e+01 1.99867721e-02-6.88756825e-06 1.07490272e-09-6.25966766e-14 2 -5.33539148e+04-5.82489337e+01-4.33894975e+00 6.58008223e-02-4.69211010e-05 3 1.67037853e-08-2.35942205e-12-4.65427473e+04 4.77300998e+01 4 c4h7oho2-3 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1404.000 31 1.62165615e+01 1.85631155e-02-6.32654108e-06 9.79819238e-10-5.67491402e-14 2 -4.14638917e+04-5.95073639e+01-2.50126156e+00 6.76404496e-02-5.65916402e-05 3 2.46417467e-08-4.32619830e-12-3.55114023e+04 3.90979401e+01 4 c4h7oho2-4 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1402.000 21 1.48298971e+01 2.02136677e-02-6.90692214e-06 1.07159128e-09-6.21414078e-14 2 -3.99619574e+04-5.26628909e+01-3.60209617e+00 6.56886010e-02-5.03737345e-05 3 2.01541117e-08-3.29035536e-12-3.38193867e+04 4.54414633e+01 4 c4h7oho3-4 5/6/11 thermc 4h 8o 2 0g 300.000 5000.000 1400.000 31 1.56002674e+01 1.91959466e-02-6.56866318e-06 1.02006505e-09-5.91908383e-14 2 -3.91361624e+04-5.51995967e+01-2.16844060e+00 6.41213838e-02-5.09792605e-05 3 2.12995240e-08-3.63300478e-12-3.32982333e+04 3.90310855e+01 4 hoch2cho 5/ 6/11 thermc 2h 4o 2 0g 300.000 5000.000 1389.000 21 8.56649271e+00 1.06728571e-02-3.70801716e-06 5.81669586e-10-3.39890073e-14 2 -4.05605680e+04-1.69685788e+01-8.50564237e-01 3.52163092e-02-2.95844998e-05 3 1.34558167e-08-2.51907998e-12-3.74521306e+04 3.28599957e+01 4 hoch2co 5/ 6/11 thermc 2h 3o 2 0g 300.000 5000.000 1389.000 21 7.96736954e+00 8.63029565e-03-3.00259077e-06 4.71461522e-10-2.75677959e-14 2 -2.15262697e+04-1.20025104e+01 4.99909510e-02 2.93805799e-02-2.49753042e-05 3 1.14315369e-08-2.14545300e-12-1.89274395e+04 2.98448638e+01 4 hoc2h4cho 5/ 6/11 thermc 3h 6o 2 0g 300.000 5000.000 1377.000 31 1.22894577e+01 1.39823973e-02-4.69687007e-06 7.21074719e-10-4.15305994e-14 2 -4.61357885e+04-3.50722245e+01 2.71184298e+00 3.42800624e-02-2.06440401e-05 3 6.25584618e-09-7.60656252e-13-4.25744744e+04 1.71499324e+01 4 hoc2h4co 5/ 6/11 thermc 3h 5o 2 0g 300.000 5000.000 1376.000 31 1.17921434e+01 1.19744338e-02-4.02817956e-06 6.19033626e-10-3.56788026e-14 2 -2.71408278e+04-3.07085596e+01 3.49758746e+00 2.94656744e-02-1.76503178e-05 3 5.27836436e-09-6.27190499e-13-2.40486307e+04 1.45474616e+01 4 ic4h8oh-3o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1395.000 61 1.97860874e+01 2.19856495e-02-7.52669174e-06 1.16926365e-09-6.78675659e-14 2 -5.42978076e+04-7.22783634e+01 1.95132043e+00 6.35107389e-02-4.46372252e-05 3 1.63520664e-08-2.46860073e-12-4.80791670e+04 2.35724092e+01 4 ic4h8oh-3o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1390.000 61 1.77642214e+01 2.13135480e-02-7.32798236e-06 1.14153937e-09-6.63815149e-14 2 -3.66072398e+04-6.05685186e+01 3.06971149e+00 5.38412681e-02-3.49291037e-05 3 1.19288878e-08-1.71696345e-12-3.12509616e+04 1.91105564e+01 4 ic4h7oh-3ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 61 1.93573037e+01 1.98619698e-02-6.80718278e-06 1.05829195e-09-6.14595240e-14 2 -2.92292189e+04-6.71219792e+01 2.72973940e+00 5.89186668e-02-4.21077104e-05 3 1.56920275e-08-2.40821242e-12-2.34679296e+04 2.21158563e+01 4 ic4h7oh-3ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1381.000 61 1.78145974e+01 2.11815394e-02-7.26396533e-06 1.12972157e-09-6.56226698e-14 2 -3.10286914e+04-5.74593051e+01 6.04383781e+00 4.14592880e-02-1.69781922e-05 3 9.90039781e-10 6.66164150e-13-2.61894760e+04 8.36684745e+00 4 ic4h7oh-3ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 61 1.97713069e+01 1.94917585e-02-6.67486028e-06 1.03711568e-09-6.02040996e-14 2 -3.22394367e+04-7.05197057e+01 3.30477320e+00 5.93334036e-02-4.42422549e-05 3 1.74454846e-08-2.84588078e-12-2.66316410e+04 1.74725356e+01 4 ic4h8oh-2o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1400.000 61 2.01179070e+01 2.14861773e-02-7.30501128e-06 1.12941822e-09-6.53322209e-14 2 -5.72057343e+04-7.66205638e+01 1.57130336e+00 6.87842413e-02-5.46290472e-05 3 2.30402324e-08-3.98012853e-12-5.11390769e+04 2.16141971e+01 4 ic4h8oh-2o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 1.80914586e+01 2.08235331e-02-7.11061536e-06 1.10246305e-09-6.38944145e-14 2 -3.95154008e+04-6.48903497e+01 2.62971785e+00 5.93553578e-02-4.52638891e-05 3 1.88258242e-08-3.27413648e-12-3.43010438e+04 1.74358250e+01 4 ic4h7oh-2ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1401.000 61 1.96900587e+01 1.93607754e-02-6.58471014e-06 1.01830281e-09-5.89150179e-14 2 -3.21374090e+04-7.07747273e+01 2.34870719e+00 6.41960514e-02-5.21037884e-05 3 2.23816560e-08-3.91983736e-12-2.65276747e+04 2.08569614e+01 4 ic4h7oh-2ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1400.000 61 2.01034795e+01 1.89913942e-02-6.45273505e-06 9.97186128e-10-5.76632493e-14 2 -3.51473733e+04-7.37665098e+01 2.92296502e+00 6.46148097e-02-5.42453565e-05 3 2.41400123e-08-4.35867264e-12-2.96912806e+04 1.66197511e+01 4 ic4h8oh-1o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1403.000 61 2.18381421e+01 2.02118750e-02-6.90934861e-06 1.07243745e-09-6.22143211e-14 2 -6.00378267e+04-8.60228216e+01 1.44832029e+00 7.08463828e-02-5.53935193e-05 3 2.22858965e-08-3.62346186e-12-5.33097938e+04 2.23288428e+01 4 ic4h8oh-1o2 6/2/95 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 51 2.02203774e+01 1.93384876e-02-6.67392863e-06 1.04249745e-09-6.07448546e-14 2 -4.26369155e+04-7.69314705e+01 2.08335560e+00 6.18870472e-02-4.48341301e-05 3 1.66255965e-08-2.50627022e-12-3.63742879e+04 2.03816005e+01 4 ic4h7oh-1ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 1.90600678e+01 2.01610313e-02-6.91892052e-06 1.07648841e-09-6.25452335e-14 2 -3.64434403e+04-6.65543677e+01 5.31448821e+00 4.96201951e-02-3.03935376e-05 3 9.34182718e-09-1.14645709e-12-3.13702723e+04 8.26500080e+00 4 ic4h7oh-1ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1402.000 61 2.06576223e+01 1.87145070e-02-6.40101580e-06 9.93748981e-10-5.76530917e-14 2 -3.46314372e+04-7.57515094e+01 2.61741190e+00 6.46114529e-02-5.19300376e-05 3 2.17905854e-08-3.71408127e-12-2.87505213e+04 1.97880585e+01 4 ic4h7oh-12ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1406.000 81 2.68638423e+01 2.01346398e-02-6.86902619e-06 1.06460647e-09-6.16926462e-14 2 -7.51869185e+04-1.06996376e+02 3.94272619e+00 8.21565270e-02-7.23343197e-05 3 3.26843600e-08-5.88381817e-12-6.81049259e+04 1.30447924e+01 4 ic4h7oh-1ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1402.000 81 2.48936204e+01 1.93504930e-02-6.61696412e-06 1.02705362e-09-5.95745644e-14 2 -5.75043430e+04-9.55520462e+01 4.97301887e+00 7.28627322e-02-6.31086436e-05 3 2.84825061e-08-5.16472360e-12-5.12633112e+04 8.99243296e+00 4 ic4h7oh-2ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1402.000 81 2.48936204e+01 1.93504930e-02-6.61696412e-06 1.02705362e-09-5.95745644e-14 2 -5.75043430e+04-9.55520462e+01 4.97301887e+00 7.28627322e-02-6.31086436e-05 3 2.84825061e-08-5.16472360e-12-5.12633112e+04 8.99243296e+00 4 ic4h7oh-13ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1402.000 81 2.65035890e+01 2.06829449e-02-7.11267261e-06 1.10838715e-09-6.44767843e-14 2 -7.22692903e+04-1.02497163e+02 4.35527783e+00 7.67493606e-02-6.21711541e-05 3 2.59124527e-08-4.35796021e-12-6.50501302e+04 1.48505833e+01 4 ic4h7oh-1ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.45574931e+01 1.98693613e-02-6.84882272e-06 1.06885096e-09-6.22382457e-14 2 -5.46003666e+04-9.11997640e+01 5.23724541e+00 6.80750524e-02-5.38305380e-05 3 2.22420494e-08-3.75370839e-12-4.81850033e+04 1.14934904e+01 4 ic4h7oh-3ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.45574931e+01 1.98693613e-02-6.84882272e-06 1.06885096e-09-6.22382457e-14 2 -5.46003666e+04-9.11997640e+01 5.23724541e+00 6.80750524e-02-5.38305380e-05 3 2.22420494e-08-3.75370839e-12-4.81850033e+04 1.14934904e+01 4 ic4h7oh-23ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1396.000 81 2.47578473e+01 2.22409708e-02-7.66661286e-06 1.19655882e-09-6.96793374e-14 2 -6.97497709e+04-9.36535232e+01 3.67646186e+00 7.35522783e-02-5.61638995e-05 3 2.23402696e-08-3.63988588e-12-6.26281894e+04 1.88457229e+01 4 ic4h7oh-2ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.34973931e+01 2.06869788e-02-7.11119894e-06 1.10765061e-09-6.44068014e-14 2 -5.20763930e+04-8.57112443e+01 5.34700034e+00 6.60813121e-02-5.18057243e-05 3 2.15870843e-08-3.70706535e-12-4.60219231e+04 1.07894551e+01 4 ic4h7oh-3ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.34973931e+01 2.06869788e-02-7.11119894e-06 1.10765061e-09-6.44068014e-14 2 -5.20763930e+04-8.57112443e+01 5.34700034e+00 6.60813121e-02-5.18057243e-05 3 2.15870843e-08-3.70706535e-12-4.60219231e+04 1.07894551e+01 4 ic4h7oh-33ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.46002850e+01 2.25169238e-02-7.79429853e-06 1.21995770e-09-7.11847447e-14 2 -6.68236195e+04-9.08199808e+01 4.18281113e+00 6.90886222e-02-4.80918298e-05 3 1.69921575e-08-2.43323032e-12-5.96274840e+04 1.92222652e+01 4 ic4h7oh-3ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.31774905e+01 2.11679590e-02-7.32492286e-06 1.14611066e-09-6.68563153e-14 2 -4.91710026e+04-8.21255430e+01 5.76826124e+00 6.06569415e-02-4.16027924e-05 3 1.47692083e-08-2.16682973e-12-4.29692268e+04 1.18548495e+01 4 ic4ohket1-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1400.000 61 2.36000462e+01 1.67386686e-02-5.83968582e-06 9.19008298e-10-5.38335801e-14 2 -8.12611070e+04-9.81161510e+01 6.80111817e-01 7.47627954e-02-6.24774037e-05 3 2.61507104e-08-4.35922503e-12-7.38336515e+04 2.32485554e+01 4 ic4ohket1-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1396.000 61 2.19405383e+01 1.81065392e-02-6.30120262e-06 9.89882048e-10-5.79103136e-14 2 -7.86188315e+04-8.58904972e+01 1.17958660e+00 6.87127266e-02-5.37947123e-05 3 2.13733815e-08-3.42382361e-12-7.16626028e+04 2.47900567e+01 4 ic4ohket3-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1403.000 61 2.21259044e+01 1.76265007e-02-6.06229728e-06 9.44799728e-10-5.49651708e-14 2 -6.92279484e+04-8.22790814e+01 2.81358921e+00 6.66124113e-02-5.42086229e-05 3 2.26264271e-08-3.80266077e-12-6.29508915e+04 1.99946746e+01 4 ic4ohket3-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1401.000 61 2.23542573e+01 1.74286582e-02-5.99500699e-06 9.34539508e-10-5.43821104e-14 2 -6.63773451e+04-8.43400740e+01 2.25372044e+00 6.79496008e-02-5.49730657e-05 3 2.26213181e-08-3.73538230e-12-5.98170409e+04 2.22410253e+01 4 ic4ohket3-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1393.000 61 2.12403196e+01 1.86236323e-02-6.46216777e-06 1.01317610e-09-5.91919494e-14 2 -6.40977692e+04-7.62829995e+01 3.00424957e+00 5.97701374e-02-4.11710549e-05 3 1.40011512e-08-1.87498428e-12-5.76642704e+04 2.20970702e+01 4 ic4h8oh-1oh 7/111 thermc 4h 10o 2 0g 300.000 5000.000 1400.000 51 1.77748259e+01 2.14660347e-02-7.32395209e-06 1.13513994e-09-6.57794513e-14 2 -6.59791741e+04-6.74710397e+01-3.34394722e-03 6.36129788e-02-4.56846616e-05 3 1.70841200e-08-2.61803043e-12-5.98785560e+04 2.77690224e+01 4 ic4h8oh-1o 7//11 thermc 4h 9o 2 0g 300.000 5000.000 1396.000 51 1.82016769e+01 1.89517274e-02-6.54568195e-06 1.02304041e-09-5.96353821e-14 2 -3.99249009e+04-7.00758600e+01 3.34935618e-01 6.01623722e-02-4.25242612e-05 3 1.51694692e-08-2.17491476e-12-3.37004180e+04 2.60112344e+01 4 ic4h8oh-2oh 7//11 thermc 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.71115636e+01 2.15404292e-02-7.24569929e-06 1.11242650e-09-6.40419613e-14 2 -6.39951680e+04-6.31593563e+01-4.55861990e-01 6.58069967e-02-5.10050518e-05 3 2.11674875e-08-3.62132445e-12-5.81912775e+04 3.00867656e+01 4 ic4h8oh-2o 7//11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.71996495e+01 1.96206104e-02-6.73460511e-06 1.04805490e-09-6.09069804e-14 2 -3.78339898e+04-6.39159064e+01-1.61304194e-01 6.26866156e-02-4.87490209e-05 3 2.01356521e-08-3.43324845e-12-3.20084154e+04 2.85125307e+01 4 ic4h8oh-3oh 7//11 thermc 4h 10o 2 0g 300.000 5000.000 1394.000 51 1.65343384e+01 2.18647729e-02-7.32472198e-06 1.12163319e-09-6.44604462e-14 2 -6.04683858e+04-5.78327373e+01-3.32669085e-01 6.19772379e-02-4.40478904e-05 3 1.65307834e-08-2.56149037e-12-5.46883454e+04 3.24908755e+01 4 ic4h8oh-3o 7//11 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.43327357e+01 2.14891287e-02-7.25535332e-06 1.11655915e-09-6.43819302e-14 2 -4.27107636e+04-4.51229018e+01 7.39725401e-01 5.25825111e-02-3.49166802e-05 3 1.25896059e-08-1.93806448e-12-3.78544327e+04 2.82308146e+01 4 ic4h7oho1-2 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1402.000 31 1.77502581e+01 1.75775368e-02-6.05888324e-06 9.45745449e-10-5.50824388e-14 2 -4.73255167e+04-7.18277893e+01-2.20646366e+00 6.76421683e-02-5.45301255e-05 3 2.23923891e-08-3.69441203e-12-4.07971333e+04 3.40332596e+01 4 ic4h7oho1-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1406.000 21 1.57281631e+01 1.94424385e-02-6.64093047e-06 1.03022514e-09-5.97436599e-14 2 -4.42523268e+04-5.98591879e+01-3.33283809e+00 6.55594834e-02-4.92125269e-05 3 1.88243695e-08-2.89506490e-12-3.78624901e+04 4.18266803e+01 4 ic4h7oho2-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1400.000 31 1.60600832e+01 1.86417999e-02-6.34366985e-06 9.81605037e-10-5.68220151e-14 2 -4.16139961e+04-5.96016266e+01-2.39126369e+00 6.59794908e-02-5.37116652e-05 3 2.27987583e-08-3.92143820e-12-3.56433485e+04 3.79681509e+01 4 ic4h7oho3-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1398.000 21 1.49212035e+01 1.97076524e-02-6.64688861e-06 1.02281629e-09-5.89922391e-14 2 -3.90037099e+04-5.36366752e+01-4.10110063e+00 6.54073483e-02-4.84309194e-05 3 1.82909951e-08-2.77755740e-12-3.25998649e+04 4.79502827e+01 4 tc4h8oh-o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1396.000 61 2.04508664e+01 2.14971222e-02-7.37407203e-06 1.14702226e-09-6.66341818e-14 2 -5.78548458e+04-7.80836050e+01 1.88555737e+00 6.70361798e-02-5.10678512e-05 3 2.05990453e-08-3.43069062e-12-5.15896237e+04 2.09116666e+01 4 tc4h8oh-o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.84675920e+01 2.07600819e-02-7.14638353e-06 1.11413133e-09-6.48225696e-14 2 -4.01793340e+04-6.65920876e+01 2.89005593e+00 5.78243141e-02-4.19768118e-05 3 1.65161890e-08-2.74657518e-12-3.47429891e+04 1.69868466e+01 4 tc4h7oh-ooh 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 2.00254290e+01 1.93675560e-02-6.65191853e-06 1.03557843e-09-6.01963909e-14 2 -3.27873267e+04-7.22509723e+01 2.66520382e+00 6.24371701e-02-4.85238683e-05 3 1.99268614e-08-3.36703183e-12-2.69785493e+04 2.01441607e+01 4 tc4h8o-ooh 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 2.08821330e+01 1.89962142e-02-6.60459474e-06 1.03675811e-09-6.06165733e-14 2 -3.18137169e+04-8.07401163e+01 2.00328992e+00 6.45078168e-02-4.92698094e-05 3 1.95417156e-08-3.18069940e-12-2.53762871e+04 2.01888595e+01 4 tc4h7oh-ooh-ooh 11 thermc 4h 10o 5 0g 300.000 5000.000 1392.000 81 2.49192935e+01 2.23223448e-02-7.74381188e-06 1.21378809e-09-7.08940579e-14 2 -7.03307250e+04-9.41201815e+01 3.88408839e+00 7.18715351e-02-5.27810182e-05 3 2.00523525e-08-3.12905109e-12-6.30486465e+04 1.87372896e+01 4 tc4h7oh-ooh-o2 11 thermc 4h 9o 5 0g 300.000 5000.000 1392.000 81 2.38870890e+01 2.05929331e-02-7.13241616e-06 1.11664870e-09-6.51638814e-14 2 -5.27439116e+04-8.74853114e+01 5.59539226e+00 6.45723632e-02-4.85134752e-05 3 1.92480678e-08-3.16805202e-12-4.64612818e+04 1.04019607e+01 4 tc4ohket 7/20/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.22941432e+01 1.75536848e-02-6.05587038e-06 9.45995646e-10-5.51317181e-14 2 -6.63608680e+04-8.42993174e+01 3.03924770e+00 6.26862836e-02-4.58551137e-05 3 1.66096666e-08-2.37314749e-12-5.97809403e+04 1.89043310e+01 4 tc4h7oho 7/20/11 thermc 4h 8o 2 0g 300.000 5000.000 1400.000 21 1.54361153e+01 1.94651322e-02-6.60154339e-06 1.01936197e-09-5.89265296e-14 2 -4.25040529e+04-5.79117621e+01-4.20700384e+00 6.91817940e-02-5.53831229e-05 3 2.29683072e-08-3.85318551e-12-3.61056100e+04 4.61581211e+01 4 tc4h8oh-oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.71115636e+01 2.15404292e-02-7.24569929e-06 1.11242650e-09-6.40419613e-14 2 -6.39951680e+04-6.31593563e+01-4.55861990e-01 6.58069967e-02-5.10050518e-05 3 2.11674875e-08-3.62132445e-12-5.81912775e+04 3.00867656e+01 4 tc4h8oh-o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.71996495e+01 1.96206104e-02-6.73460511e-06 1.04805490e-09-6.09069804e-14 2 -3.78339898e+04-6.39159064e+01-1.61304194e-01 6.26866156e-02-4.87490209e-05 3 2.01356521e-08-3.43324845e-12-3.20084154e+04 2.85125307e+01 4 sc4h8oh-1o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1398.000 61 2.05159637e+01 2.13774656e-02-7.31733441e-06 1.13645825e-09-6.59469060e-14 2 -5.78782269e+04-7.74741870e+01 1.08070418e+00 7.23687896e-02-6.02795207e-05 3 2.66743602e-08-4.80902430e-12-5.16223323e+04 2.50309291e+01 4 sc4h7oh-1ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 2.03777849e+01 1.81096978e-02-6.02526266e-06 9.19151744e-10-5.27087178e-14 2 -3.43104285e+04-7.34425208e+01 2.01581887e+00 6.37762094e-02-4.97397965e-05 3 2.00214661e-08-3.25559403e-12-2.82733042e+04 2.40866751e+01 4 sc4h7oh-1ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 2.00943730e+01 1.92409539e-02-6.59201926e-06 1.02444493e-09-5.94729990e-14 2 -3.28126115e+04-7.23538309e+01 1.83355721e+00 6.78739528e-02-5.78769529e-05 3 2.60823613e-08-4.76176352e-12-2.70068010e+04 2.37011499e+01 4 sc4h7oh-1ooh-m 11 thermc 4h 9o 3 0g 300.000 5000.000 1398.000 61 2.00943730e+01 1.92409539e-02-6.59201926e-06 1.02444493e-09-5.94729990e-14 2 -3.28126115e+04-7.23538309e+01 1.83355721e+00 6.78739528e-02-5.78769529e-05 3 2.60823613e-08-4.76176352e-12-2.70068010e+04 2.37011499e+01 4 sc4h8oh-1o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1394.000 61 1.85507508e+01 2.05981531e-02-7.06929580e-06 1.09980519e-09-6.38930170e-14 2 -4.02063166e+04-6.60768314e+01 2.04498551e+00 6.33076619e-02-5.13734662e-05 3 2.26738985e-08-4.13662953e-12-3.47689298e+04 2.12978252e+01 4 sc4h8oh-2o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1400.000 61 2.09296946e+01 2.10251202e-02-7.19767152e-06 1.11814187e-09-6.49003105e-14 2 -5.74332255e+04-7.96804263e+01 1.10791254e+00 7.04213323e-02-5.50658676e-05 3 2.24796406e-08-3.74234991e-12-5.08675172e+04 2.56623796e+01 4 sc4h8oh-2o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 61 1.87568585e+01 2.03739389e-02-6.98230572e-06 1.08532055e-09-6.30160896e-14 2 -3.96380610e+04-6.69970355e+01 2.13524137e+00 6.14284241e-02-4.69260974e-05 3 1.92131799e-08-3.26610490e-12-3.40305323e+04 2.15776786e+01 4 sc4h7oh-2ooh-m 11 thermc 4h 9o 3 0g 300.000 5000.000 1397.000 61 2.12003826e+01 1.85529860e-02-6.41430304e-06 1.00322922e-09-5.85117115e-14 2 -3.27965802e+04-7.88935500e+01 1.93206285e+00 6.44360074e-02-4.81327569e-05 3 1.82251180e-08-2.78012495e-12-2.62402169e+04 2.41999477e+01 4 sc4h7oh-2ooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1397.000 61 2.12003826e+01 1.85529860e-02-6.41430304e-06 1.00322922e-09-5.85117115e-14 2 -3.27965802e+04-7.88935500e+01 1.93206285e+00 6.44360074e-02-4.81327569e-05 3 1.82251180e-08-2.78012495e-12-2.62402169e+04 2.41999477e+01 4 sc4h7oh-2ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1406.000 61 2.11922652e+01 1.80589651e-02-6.13087461e-06 9.47041468e-10-5.47510918e-14 2 -3.55313507e+04-7.90654156e+01-1.00185618e+00 8.11011253e-02-7.59166166e-05 3 3.60883156e-08-6.74914329e-12-2.89590622e+04 3.61316038e+01 4 sc4h8oh-mo2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1396.000 61 2.05719869e+01 2.14331117e-02-7.36147277e-06 1.14611364e-09-6.66263188e-14 2 -5.56278090e+04-7.63617728e+01 1.97319493e+00 6.54273053e-02-4.74300031e-05 3 1.78812578e-08-2.76810587e-12-4.92210487e+04 2.33348218e+01 4 sc4h8oh-mo2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.84220768e+01 2.07527760e-02-7.13409936e-06 1.11122968e-09-6.46148343e-14 2 -3.78382562e+04-6.38010094e+01 3.06236468e+00 5.62087709e-02-3.89540001e-05 3 1.43977022e-08-2.24209555e-12-3.23950383e+04 1.89519218e+01 4 sc4h7oh-mooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1404.000 61 2.08838826e+01 1.84143977e-02-6.27435226e-06 9.71626043e-10-5.62716205e-14 2 -3.37486979e+04-7.60347713e+01 1.13252134e-01 7.48697868e-02-6.62068877e-05 3 3.00982189e-08-5.45131495e-12-2.73478095e+04 3.26690224e+01 4 sc4h7oh-mooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1389.000 61 1.98063406e+01 1.87685683e-02-6.28707308e-06 9.63331463e-10-5.54068117e-14 2 -3.17630409e+04-6.86284203e+01 3.17780197e+00 5.60382452e-02-3.70231268e-05 3 1.19375206e-08-1.46538834e-12-2.59170780e+04 2.10927144e+01 4 sc4h7oh-mooh-3 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 2.07188705e+01 1.90150977e-02-6.58534886e-06 1.03113106e-09-6.01847089e-14 2 -3.09253594e+04-7.48279893e+01 2.71887341e+00 5.97729146e-02-4.12319496e-05 3 1.41705979e-08-1.93578578e-12-2.45795802e+04 2.22439126e+01 4 sc4h8oh-3o2h 7/11 thermc 4h 10o 3 0g 300.000 5000.000 1396.000 61 2.05719869e+01 2.14331117e-02-7.36147277e-06 1.14611364e-09-6.66263188e-14 2 -5.56278090e+04-7.63617728e+01 1.97319493e+00 6.54273053e-02-4.74300031e-05 3 1.78812578e-08-2.76810587e-12-4.92210487e+04 2.33348218e+01 4 sc4h8oh-3o2 7/11 thermc 4h 9o 3 0g 300.000 5000.000 1392.000 61 1.84220768e+01 2.07527760e-02-7.13409936e-06 1.11122968e-09-6.46148343e-14 2 -3.78382562e+04-6.38010094e+01 3.06236468e+00 5.62087709e-02-3.89540001e-05 3 1.43977022e-08-2.24209555e-12-3.23950383e+04 1.89519218e+01 4 sc4h7oh-3ooh-m 11 thermc 4h 9o 3 0g 300.000 5000.000 1393.000 61 2.07188705e+01 1.90150977e-02-6.58534886e-06 1.03113106e-09-6.01847089e-14 2 -3.09253594e+04-7.48279893e+01 2.71887341e+00 5.97729146e-02-4.12319496e-05 3 1.41705979e-08-1.93578578e-12-2.45795802e+04 2.22439126e+01 4 sc4h7oh-3ooh-1 11 thermc 4h 9o 3 0g 300.000 5000.000 1404.000 61 2.08838826e+01 1.84143977e-02-6.27435226e-06 9.71626043e-10-5.62716205e-14 2 -3.37486979e+04-7.60347713e+01 1.13252134e-01 7.48697868e-02-6.62068877e-05 3 3.00982189e-08-5.45131495e-12-2.73478095e+04 3.26690224e+01 4 sc4h7oh-3ooh-2 11 thermc 4h 9o 3 0g 300.000 5000.000 1389.000 61 1.98063406e+01 1.87685683e-02-6.28707308e-06 9.63331463e-10-5.54068117e-14 2 -3.17630409e+04-6.86284203e+01 3.17780197e+00 5.60382452e-02-3.70231268e-05 3 1.19375206e-08-1.46538834e-12-2.59170780e+04 2.10927144e+01 4 sc4o5h223 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1401.000 81 2.58973959e+01 2.11916338e-02-7.28624373e-06 1.13523981e-09-6.60292515e-14 2 -6.97672170e+04-9.85462487e+01 3.97332880e+00 7.68223984e-02-6.22425253e-05 3 2.61135941e-08-4.43557131e-12-6.26141154e+04 1.76004073e+01 4 sc4h7oh-2ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4h7oh-3ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4o5h212 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1397.000 81 2.54508312e+01 2.16977675e-02-7.48879842e-06 1.16976132e-09-6.81565732e-14 2 -7.21847999e+04-9.81058466e+01 2.37307697e+00 8.18736687e-02-6.92198897e-05 3 3.04672879e-08-5.42151136e-12-6.47639710e+04 2.36687571e+01 4 sc4h7oh-1ooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33924413e+01 2.09518929e-02-7.24228224e-06 1.13231088e-09-6.60146156e-14 2 -5.44750209e+04-8.61661018e+01 3.29728731e+00 7.27202725e-02-6.01576598e-05 3 2.63610798e-08-4.72262582e-12-4.78957036e+04 2.01854119e+01 4 sc4h7oh-2ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1394.000 81 2.33924413e+01 2.09518929e-02-7.24228224e-06 1.13231088e-09-6.60146156e-14 2 -5.44750209e+04-8.61661018e+01 3.29728731e+00 7.27202725e-02-6.01576598e-05 3 2.63610798e-08-4.72262582e-12-4.78957036e+04 2.01854119e+01 4 sc4o5h213 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1394.000 81 2.50587597e+01 2.21123137e-02-7.65002168e-06 1.19683957e-09-6.98110757e-14 2 -7.03655926e+04-9.45873542e+01 3.16556073e+00 7.70874094e-02-6.18848813e-05 3 2.60491481e-08-4.48512321e-12-6.31027124e+04 2.17058851e+01 4 sc4h7oh-1ooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4h7oh-3ooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4o5h2m1 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1394.000 81 2.50587597e+01 2.21123137e-02-7.65002168e-06 1.19683957e-09-6.98110757e-14 2 -7.03655926e+04-9.45873542e+01 3.16556073e+00 7.70874094e-02-6.18848813e-05 3 2.60491481e-08-4.48512321e-12-6.31027124e+04 2.17058851e+01 4 sc4h7oh-mooh-1o2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4h7oh-1ooh-mo2 thermc 4h 9o 5 0g 300.000 5000.000 1391.000 81 2.29909500e+01 2.13697029e-02-7.40369000e-06 1.15932823e-09-6.76622023e-14 2 -5.26560934e+04-8.26012934e+01 4.06466670e+00 6.79516385e-02-5.28018463e-05 3 2.19147396e-08-3.77798490e-12-4.62278755e+04 1.83596275e+01 4 sc4o5h2m2 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1401.000 81 2.58973959e+01 2.11916338e-02-7.28624373e-06 1.13523981e-09-6.60292515e-14 2 -6.97672170e+04-9.85462487e+01 3.97332880e+00 7.68223984e-02-6.22425253e-05 3 2.61135941e-08-4.43557131e-12-6.26141154e+04 1.76004073e+01 4 sc4h7oh-mooh-2o2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4h7oh-2ooh-mo2 thermc 4h 9o 5 0g 300.000 5000.000 1397.000 81 2.39398843e+01 2.03921739e-02-7.02824773e-06 1.09671963e-09-6.38540050e-14 2 -5.20929730e+04-8.71803892e+01 4.97744694e+00 6.76209545e-02-5.31394633e-05 3 2.19849137e-08-3.73283900e-12-4.57678552e+04 1.36744811e+01 4 sc4o5h2m3 7/20/11 thermc 4h 10o 5 0g 300.000 5000.000 1398.000 81 2.55391374e+01 2.16006209e-02-7.45062645e-06 1.16333650e-09-6.77642042e-14 2 -6.79657050e+04-9.52376496e+01 4.86022233e+00 7.16615199e-02-5.43055793e-05 3 2.13117914e-08-3.41445541e-12-6.09689544e+04 1.51827544e+01 4 sc4h7oh-mooh-3o2 thermc 4h 9o 5 0g 300.000 5000.000 1393.000 81 2.35904346e+01 2.07852527e-02-7.18543328e-06 1.12352685e-09-6.55075290e-14 2 -5.02942222e+04-8.39197460e+01 5.86411906e+00 6.24567610e-02-4.51867840e-05 3 1.71647716e-08-2.70605484e-12-4.41225862e+04 1.12585295e+01 4 sc4h7oh-3ooh-mo2 thermc 4h 9o 5 0g 300.000 5000.000 1393.000 81 2.35904346e+01 2.07852527e-02-7.18543328e-06 1.12352685e-09-6.55075290e-14 2 -5.02942222e+04-8.39197460e+01 5.86411906e+00 6.24567610e-02-4.51867840e-05 3 1.71647716e-08-2.70605484e-12-4.41225862e+04 1.12585295e+01 4 sc4ohket1-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohket1-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohket1-m 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohketm-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1399.000 61 2.23225266e+01 1.75133812e-02-6.03718893e-06 9.42487223e-10-5.49004908e-14 2 -6.47745610e+04-8.43437390e+01 3.67230730e+00 6.18043608e-02-4.59489952e-05 3 1.71537572e-08-2.55734987e-12-5.84409642e+04 1.54443355e+01 4 sc4ohketm-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1397.000 61 2.26236144e+01 1.74928879e-02-6.08207776e-06 9.54899751e-10-5.58418135e-14 2 -6.68100502e+04-8.52704440e+01 1.82195361e+00 6.89337049e-02-5.51450837e-05 3 2.23627975e-08-3.64648518e-12-5.99213043e+04 2.53534863e+01 4 sc4ohketm-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1393.000 61 2.22530952e+01 1.78873873e-02-6.23602482e-06 9.80806594e-10-5.74267291e-14 2 -6.49969705e+04-8.18758553e+01 2.62206938e+00 6.41666593e-02-4.78379237e-05 3 1.79546249e-08-2.71075341e-12-5.82629486e+04 2.33375199e+01 4 sc4ohket2-m 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1391.000 61 2.17059980e+01 1.83853863e-02-6.41488800e-06 1.00943917e-09-5.91220097e-14 2 -6.86093542e+04-7.94401848e+01 2.20355721e+00 6.43658210e-02-4.79700781e-05 3 1.81630521e-08-2.78894280e-12-6.18955996e+04 2.51233073e+01 4 sc4ohket2-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1392.000 61 2.15642053e+01 1.84112710e-02-6.40291005e-06 1.00539341e-09-5.87984400e-14 2 -6.84817471e+04-8.10932304e+01 2.96337906e+00 6.08378357e-02-4.28194676e-05 3 1.49922658e-08-2.08825637e-12-6.19596082e+04 1.91021983e+01 4 sc4ohket2-3 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1401.000 61 2.23574994e+01 1.75642377e-02-6.07076393e-06 9.49256379e-10-5.53520506e-14 2 -6.71250746e+04-8.29050178e+01-8.16366184e-01 8.11655751e-02-7.43885516e-05 3 3.45644357e-08-6.35627349e-12-6.00294150e+04 3.81860172e+01 4 sc4ohket3-m 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1392.000 61 2.08748913e+01 1.87769501e-02-6.47722303e-06 1.01133904e-09-5.89077414e-14 2 -6.49255900e+04-7.31800275e+01 4.55246537e+00 5.84020638e-02-4.42380164e-05 3 1.77933898e-08-2.97090028e-12-5.93534500e+04 1.40404665e+01 4 sc4ohket3-1 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1394.000 61 2.12617871e+01 1.84078612e-02-6.34006427e-06 9.88833756e-10-5.75507532e-14 2 -6.73998961e+04-7.69475182e+01 3.50279177e+00 6.57950467e-02-5.67122958e-05 3 2.58986863e-08-4.79549096e-12-6.17299954e+04 1.64915277e+01 4 sc4ohket3-2 7/11 thermc 4h 8o 4 0g 300.000 5000.000 1403.000 61 2.23743207e+01 1.73715016e-02-5.96462082e-06 9.28543003e-10-5.39777697e-14 2 -6.60917591e+04-8.37111314e+01 1.26882893e+00 7.40863773e-02-6.54408809e-05 3 2.95064807e-08-5.29696893e-12-5.95303323e+04 2.69638453e+01 4 sc4h8oh-moh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 sc4h8oh-mo 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 sc4h8oh-1oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.70944441e+01 2.15850691e-02-7.26733360e-06 1.11642055e-09-6.42985022e-14 2 -6.39942278e+04-6.23875540e+01-5.00963562e-01 6.60066204e-02-5.13199676e-05 3 2.13872903e-08-3.67524528e-12-5.81843298e+04 3.09858616e+01 4 sc4h8oh-1o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.71903400e+01 1.96504733e-02-6.74964702e-06 1.05088737e-09-6.10912234e-14 2 -3.78362592e+04-6.31877115e+01-2.00134808e-01 6.28475356e-02-4.89966954e-05 3 2.03076489e-08-3.47559530e-12-3.20021222e+04 2.93848477e+01 4 sc4h8oh-3oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1398.000 51 1.63681318e+01 2.25212634e-02-7.65436958e-06 1.18300191e-09-6.84092043e-14 2 -6.14026057e+04-5.64514485e+01 2.25866702e-01 6.20831962e-02-4.58398380e-05 3 1.83839554e-08-3.08781379e-12-5.59191321e+04 2.96885436e+01 4 sc4h8oh-3o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1394.000 51 1.67892013e+01 2.00394734e-02-6.89347746e-06 1.07426032e-09-6.24868724e-14 2 -3.53579623e+04-5.90524522e+01 3.22902420e-01 5.96523141e-02-4.41961108e-05 3 1.74296551e-08-2.86189445e-12-2.97027864e+04 2.90605909e+01 4 sc4h8oh-2oh 7/11 thermc 4h 10o 2 0g 300.000 5000.000 1400.000 51 1.70023082e+01 2.19643818e-02-7.45810630e-06 1.15192245e-09-6.65812579e-14 2 -6.37666695e+04-6.16349729e+01-7.56094164e-01 6.84056171e-02-5.55466000e-05 3 2.42741872e-08-4.34962169e-12-5.80319537e+04 3.20841956e+01 4 sc4h8oh-2o 7/11 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.73909351e+01 1.96575892e-02-6.79046843e-06 1.06118310e-09-6.18472025e-14 2 -3.77614257e+04-6.34708815e+01-2.82354905e-01 6.41795370e-02-5.12586981e-05 3 2.18364445e-08-3.83684537e-12-3.18686962e+04 3.04296719e+01 4 sc4h7oho1-2 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1413.000 31 1.58569510e+01 1.70055782e-02-5.40014578e-06 7.96413050e-10-4.45517163e-14 2 -4.45149656e+04-6.93540035e+01-5.16611279e+00 8.07830733e-02-7.93753973e-05 3 3.91547570e-08-7.47319919e-12-3.87706113e+04 3.81985223e+01 4 sc4h7oho2-m 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1404.000 21 1.54542770e+01 1.96288088e-02-6.69326077e-06 1.03701140e-09-6.00785818e-14 2 -4.23122667e+04-5.70668443e+01-4.27023057e+00 7.06250201e-02-5.80395559e-05 3 2.47765588e-08-4.27067781e-12-3.59798314e+04 4.70767406e+01 4 sc4h7oho1-m 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1399.000 31 1.60458286e+01 1.86794657e-02-6.36207513e-06 9.85022906e-10-5.70424974e-14 2 -4.16141267e+04-5.95346855e+01-2.42791051e+00 6.61371207e-02-5.39628650e-05 3 2.29777158e-08-3.96610816e-12-3.56375416e+04 3.81396246e+01 4 sc4h7oho3-m 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1403.000 11 1.42286272e+01 2.11384950e-02-7.22419848e-06 1.12098157e-09-6.50133124e-14 2 -5.00598613e+04-5.08604679e+01-5.50351342e+00 6.97096585e-02-5.33975307e-05 3 2.12226123e-08-3.43037411e-12-4.34870565e+04 5.41796877e+01 4 sc4h7oho1-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1399.000 21 1.54161355e+01 1.95129506e-02-6.62443986e-06 1.02357015e-09-5.91962246e-14 2 -4.25020527e+04-5.78132244e+01-4.24916483e+00 6.93656488e-02-5.56762674e-05 3 2.31759698e-08-3.90465675e-12-3.60990076e+04 4.63548175e+01 4 sc4h7oho2-3 7/11 thermc 4h 8o 2 0g 300.000 5000.000 1404.000 31 1.62165615e+01 1.85631155e-02-6.32654108e-06 9.79819238e-10-5.67491402e-14 2 -4.14638917e+04-5.95073639e+01-2.50126156e+00 6.76404496e-02-5.65916402e-05 3 2.46417467e-08-4.32619830e-12-3.55114023e+04 3.90979401e+01 4 ! end