!version: aramcomech 1.3 c4 !authors: s. burke,w. k. metcalfe, h. j. curran !website: http://c3.nuigalway.ie/ thermo 300.000 1000.000 5000.000 h l 6/94h 1 0 0 0g 200.000 6000.00 1000.00 1 0.25000000e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.25473660e+05-0.44668285e+00 0.25000000e+01 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.25473660e+05-0.44668285e+00 0.26219035e+05 4 h2 tpis78h 2 0 0 0g 200.000 6000.00 1000.00 1 2.93286575e+00 8.26608026e-04-1.46402364e-07 1.54100414e-11-6.88804800e-16 2 -8.13065581e+02-1.02432865e+00 2.34433112e+00 7.98052075e-03-1.94781510e-05 3 2.01572094e-08-7.37611761e-12-9.17935173e+02 6.83010238e-01 0.00000000e+00 4 o l 1/90o 1 0 0 0g 200.000 6000.00 1000.00 1 2.54363697e+00-2.73162486e-05-4.19029520e-09 4.95481845e-12-4.79553694e-16 2 2.92260120e+04 4.92229457e+00 3.16826710e+00-3.27931884e-03 6.64306396e-06 3 -6.12806624e-09 2.11265971e-12 2.91222592e+04 2.05193346e+00 2.99687009e+04 4 o2 rus 89o 2 0 0 0g 200.000 6000.00 1000.00 1 3.66096065e+00 6.56365811e-04-1.41149627e-07 2.05797935e-11-1.29913436e-15 2 -1.21597718e+03 3.41536279e+00 3.78245636e+00-2.99673416e-03 9.84730201e-06 3 -9.68129509e-09 3.24372837e-12-1.06394356e+03 3.65767573e+00 0.00000000e+00 4 oh iu3/03o 1 h 1 0 0g 200.000 6000.00 1000.00 1 2.83853033e+00 1.10741289e-03-2.94000209e-07 4.20698729e-11-2.42289890e-15 2 3.69780808e+03 5.84494652e+00 3.99198424e+00-2.40106655e-03 4.61664033e-06 3 -3.87916306e-09 1.36319502e-12 3.36889836e+03-1.03998477e-01 4.48613328e+03 4 oh* 121286o 1h 1 g 0300.00 5000.00 1000.00 1 0.02882730e+02 0.10139743e-02-0.02276877e-05 0.02174683e-09-0.05126305e-14 2 5.02650000e+04 0.05595712e+02 0.03637266e+02 0.01850910e-02-0.16761646e-05 3 0.02387202e-07-0.08431442e-11 5.00213000e+04 0.13588605e+01 4 h2o l 5/89h 2 o 1 0 0g 200.000 6000.00 1000.00 1 0.26770389e+01 0.29731816e-02-0.77376889e-06 0.94433514e-10-0.42689991e-14 2 -0.29885894e+05 0.68825500e+01 0.41986352e+01-0.20364017e-02 0.65203416e-05 3 -0.54879269e-08 0.17719680e-11-0.30293726e+05-0.84900901e+00-0.29084817e+05 4 n2 g 8/02n 2 0 0 0g 200.000 6000.00 1000.00 1 2.95257637e+00 1.39690040e-03-4.92631603e-07 7.86010195e-11-4.60755204e-15 2 -9.23948688e+02 5.87188762e+00 3.53100528e+00-1.23660988e-04-5.02999433e-07 3 2.43530612e-09-1.40881235e-12-1.04697628e+03 2.96747038e+00 0.00000000e+00 4 ho2 t 1/09h 1o 2 0 0g 200.000 5000.00 1000.00 1 4.17228741e+00 1.88117627e-03-3.46277286e-07 1.94657549e-11 1.76256905e-16 2 3.10206839e+01 2.95767672e+00 4.30179807e+00-4.74912097e-03 2.11582905e-05 3 -2.42763914e-08 9.29225225e-12 2.64018485e+02 3.71666220e+00 1.47886045e+03 4 h2o2 t 8/03h 2o 2 0 0g 200.000 6000.00 1000.00 1 4.57977305e+00 4.05326003e-03-1.29844730e-06 1.98211400e-10-1.13968792e-14 2 -1.80071775e+04 6.64970694e-01 4.31515149e+00-8.47390622e-04 1.76404323e-05 3 -2.26762944e-08 9.08950158e-12-1.77067437e+04 3.27373319e+00-1.63425145e+04 4 ar g 5/97ar 1 0 0 0g 200.000 6000.00 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 4.37967491e+00 2.50000000e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-7.45375000e+02 4.37967491e+00 0.00000000e+00 4 ch2o t 5/11h 2c 1o 1 0g 200.000 6000.00 1000.00 1 3.16952665e+00 6.19320560e-03-2.25056366e-06 3.65975660e-10-2.20149458e-14 2 -1.45486831e+04 6.04207898e+00 4.79372312e+00-9.90833322e-03 3.73219990e-05 3 -3.79285237e-08 1.31772641e-11-1.43791953e+04 6.02798058e-01-1.31293365e+04 4 co rus 79c 1o 1 0 0g 200.000 6000.00 1000.00 1 0.30484859e+01 0.13517281e-02-0.48579405e-06 0.78853644e-10-0.46980746e-14 2 -0.14266117e+05 0.60170977e+01 0.35795335e+01-0.61035369e-03 0.10168143e-05 3 0.90700586e-09-0.90442449e-12-0.14344086e+05 0.35084093e+01-0.13293628e+05 4 co2 l 7/88c 1o 2 0 0g 200.000 6000.00 1000.00 1 0.46365111e+01 0.27414569e-02-0.99589759e-06 0.16038666e-09-0.91619857e-14 2 -0.49024904e+05-0.19348955e+01 0.23568130e+01 0.89841299e-02-0.71220632e-05 3 0.24573008e-08-0.14288548e-12-0.48371971e+05 0.99009035e+01-0.47328105e+05 4 hco t 5/03c 1 h 1 o 1 0 g 200.000 6000.00 1000.00 1 3.92001542e+00 2.52279324e-03-6.71004164e-07 1.05615948e-10-7.43798261e-15 2 3.65342928e+03 3.58077056e+00 4.23754610e+00-3.32075257e-03 1.40030264e-05 3 -1.34239995e-08 4.37416208e-12 3.87241185e+03 3.30834869e+00 5.08749163e+03 4 ho2cho 6/26/95 thermc 1h 2o 3 0g 300.000 5000.000 1378.00 21 9.87503878e+00 4.64663708e-03-1.67230522e-06 2.68624413e-10-1.59595232e-14 2 -3.80502496e+04-2.24939155e+01 2.42464726e+00 2.19706380e-02-1.68705546e-05 3 6.25612194e-09-9.11645843e-13-3.54828006e+04 1.75027796e+01 4 o2cho 6/26/95 thermc 1h 1o 3 0g 300.000 5000.000 1368.00 11 7.24075139e+00 4.63312951e-03-1.63693995e-06 2.59706693e-10-1.52964699e-14 2 -1.87027618e+04-6.49547212e+00 3.96059309e+00 1.06002279e-02-5.25713351e-06 3 1.01716726e-09-2.87487602e-14-1.73599383e+04 1.17807483e+01 4 hocho l 8/88h 2c 1o 2 0g 200.000 6000.00 1000.00 1 0.46138316e+01 0.64496364e-02-0.22908251e-05 0.36716047e-09-0.21873675e-13 2 -0.47514850e+05 0.84788383e+00 0.38983616e+01-0.35587795e-02 0.35520538e-04 3 -0.43849959e-07 0.17107769e-10-0.46770609e+05 0.73495397e+01-0.45531246e+05 4 hoco t05/06h 1 c 1 o 2 0 g 200.000 6000.00 1000.00 1 5.39206152e+00 4.11221455e-03-1.48194900e-06 2.39875460e-10-1.43903104e-14 2 -2.38606717e+04-2.23529091e+00 2.92207919e+00 7.62453859e-03 3.29884437e-06 3 -1.07135205e-08 5.11587057e-12-2.30281524e+04 1.12925886e+01-2.18076591e+04 4 ocho atct/ac 1 o 2 h 1 0 g 200.000 6000.000 1000.00 1 4.14394211e+00 5.59738818e-03-1.99794019e-06 3.16179193e-10-1.85614483e-14 2 -1.72459887e+04 5.07778617e+00 4.68825921e+00-4.14871834e-03 2.55066010e-05 3 -2.84473900e-08 1.04422559e-11-1.69867041e+04 4.28426480e+00-1.55992356e+04 4 hoch2o2h 9/ 1/12 c 1h 4o 3 0g 300.000 5000.000 1398.000 21 1.24531886e+01 7.18221110e-03-2.47029548e-06 3.85611737e-10-2.24774193e-14 2 -4.24862928e+04-3.58745197e+01 5.35189713e-01 3.73266553e-02-3.15299511e-05 3 1.30352583e-08-2.11473264e-12-3.86609415e+04 2.71776082e+01 4 hoch2o2 9/ 1/12 c 1h 3o 3 0g 300.000 5000.000 1377.000 21 1.16406115e+01 5.72826040e-03-2.05362036e-06 3.29070695e-10-1.95188360e-14 2 -2.53505769e+04-3.07332064e+01 2.82068616e+00 2.47857094e-02-1.66186399e-05 3 4.79633095e-09-4.28087766e-13-2.22077036e+04 1.70599803e+01 4 och2o2h 9/ 1/12 c 1h 3o 3 0g 300.000 5000.000 997.000 21 2.22488435e+00 1.70328727e-02-6.24631476e-06 8.37499249e-10-3.22096209e-14 2 6.04759781e+03 2.33052848e+01 1.92120102e+00 3.09717915e-02-3.38215757e-05 3 1.93739647e-08-4.63932897e-12 4.86086899e+03 2.02247107e+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 hoch2o2h 4/ 9/98 thermc 1h 4o 3 0g 300.000 5000.000 1422.000 31 1.16303827e+01 7.15133688e-03-2.39035030e-06 3.65772791e-10-2.10199524e-14 2 -4.31079242e+04-3.24276725e+01 1.85716693e+00 3.23153132e-02-2.69928902e-05 3 1.11694484e-08-1.81284103e-12-4.00314471e+04 1.90917729e+01 4 hoch2o2 4/ 9/98 thermc 1h 3o 3 0g 300.000 5000.000 1412.000 21 9.04545938e+00 7.15223373e-03-2.37005676e-06 3.60083481e-10-2.05750228e-14 2 -2.49414886e+04-1.74210530e+01 2.85441621e+00 2.33663535e-02-1.88115990e-05 3 7.96709515e-09-1.36346618e-12-2.29866196e+04 1.51730565e+01 4 och2o2h 4/ 9/98 thermc 1h 3o 3 0g 300.000 5000.000 1420.000 21 1.15398246e+01 5.34291432e-03-1.81878917e-06 2.81968625e-10-1.63584348e-14 2 -1.68237489e+04-3.20700633e+01 1.93823075e+00 3.01465730e-02-2.61053152e-05 3 1.09463562e-08-1.78312692e-12-1.38166625e+04 1.85042002e+01 4 ch3oh t06/02c 1h 4 o 1 0 g 200.000 6000.00 1000.00 1 3.52726795e+00 1.03178783e-02-3.62892944e-06 5.77448016e-10-3.42182632e-14 2 -2.60028834e+04 5.16758693e+00 5.65851051e+00-1.62983419e-02 6.91938156e-05 3 -7.58372926e-08 2.80427550e-11-2.56119736e+04-8.97330508e-01-2.41746056e+04 4 ch2oh iu2/03c 1 h 3 o 1 0 g 200.000 6000.00 1000.00 1 5.09314370e+00 5.94761260e-03-2.06497460e-06 3.23008173e-10-1.88125902e-14 2 -4.03409640e+03-1.84691493e+00 4.47834367e+00-1.35070310e-03 2.78484980e-05 3 -3.64869060e-08 1.47907450e-11-3.50072890e+03 3.30913500e+00-2.04462770e+03 4 ch3o iu1/03c 1 h 3 o 1 0 g 200.000 6000.00 1000.00 1 4.75779238e+00 7.44142474e-03-2.69705176e-06 4.38090504e-10-2.63537098e-14 2 3.78111940e+02-1.96680028e+00 3.71180502e+00-2.80463306e-03 3.76550971e-05 3 -4.73072089e-08 1.86588420e-11 1.29569760e+03 6.57240864e+00 2.52571660e+03 4 ch3o2h a 7/05c 1 h 4 o 2 0 g 200.000 6000.00 1000.00 1 7.76538058e+00 8.61499712e-03-2.98006935e-06 4.68638071e-10-2.75339255e-14 2 -1.82979984e+04-1.43992663e+01 2.90540897e+00 1.74994735e-02 5.28243630e-06 3 -2.52827275e-08 1.34368212e-11-1.68894632e+04 1.13741987e+01-1.52423685e+04 4 ch3o2 h 3c 1o 2 0g 300.00 5000.00 1000.00 1 4.80390863e+00 9.95844638e-03-3.85301026e-06 6.84740497e-10-4.58402955e-14 2 -7.47135460e+02 1.45281400e+00 3.62497097e+00 3.59397933e-03 2.26538097e-05 3 -2.95391947e-08 1.11977570e-11 7.93040410e+01 9.96382194e+00 4 ch2o2h 9/ 1/12 c 1h 3o 2 0g 300.000 5000.000 1410.000 21 9.24697852e+00 4.60845541e-03-1.53501472e-06 2.34434830e-10-1.34573106e-14 2 4.11529953e+03-2.11503248e+01 2.88976454e+00 2.09465776e-02-1.75190772e-05 3 7.27819787e-09-1.18912344e-12 6.12390620e+03 1.23802076e+01 4 ch4 g 8/99c 1 h 4 0 0 g 200.000 6000.00 1000.00 1 1.65326226e+00 1.00263099e-02-3.31661238e-06 5.36483138e-10-3.14696758e-14 2 -1.00095936e+04 9.90506283e+00 5.14911468e+00-1.36622009e-02 4.91453921e-05 3 -4.84246767e-08 1.66603441e-11-1.02465983e+04-4.63848842e+00-8.97226656e+03 4 ch3 iu0702c 1 h 3 0 0 g 200.000 6000.00 1000.00 1 0.29781206e+01 0.57978520e-02-0.19755800e-05 0.30729790e-09-0.17917416e-13 2 0.16509513e+05 0.47224799e+01 0.36571797e+01 0.21265979e-02 0.54583883e-05 3 -0.66181003e-08 0.24657074e-11 0.16422716e+05 0.16735354e+01 0.17643935e+05 4 ch2 iu3/03c 1 h 2 0 0 g 200.000 6000.00 1000.00 1 3.14631886e+00 3.03671259e-03-9.96474439e-07 1.50483580e-10-8.57335515e-15 2 4.60412605e+04 4.72341711e+00 3.71757846e+00 1.27391260e-03 2.17347251e-06 3 -3.48858500e-09 1.65208866e-12 4.58723866e+04 1.75297945e+00 4.70504920e+04 4 ch2(s) iu6/03c 1 h 2 0 0 g 200.000 6000.00 1000.00 1 3.13501686e+00 2.89593926e-03-8.16668090e-07 1.13572697e-10-6.36262835e-15 2 5.05040504e+04 4.06030621e+00 4.19331325e+00-2.33105184e-03 8.15676451e-06 3 -6.62985981e-09 1.93233199e-12 5.03662246e+04-7.46734310e-01 5.15727280e+04 4 ch iu3/03c 1 h 1 0 0 g 200.000 6000.00 1000.00 1 0.25209369e+01 0.17653639e-02-0.46147660e-06 0.59289675e-10-0.33474501e-14 2 0.70946769e+05 0.74051829e+01 0.34897583e+01 0.32432160e-03-0.16899751e-05 3 0.31628420e-08-0.14061803e-11 0.70612646e+05 0.20842841e+01 0.71658188e+05 4 ch* 073003c 1h 1 g 0300.00 5000.00 1000.00 1 0.02196223e+02 0.02340381e-01-0.07058201e-05 0.09007582e-09-0.03855040e-13 2 0.10419559e+06 0.09178373e+02 0.03200202e+02 0.02072875e-01-0.05134431e-04 3 0.05733890e-07-0.01955533e-10 0.10393714e+06 0.03331587e+02 4 c l 7/88c 1 0 0 0g 200.000 6000.00 1000.00 1 0.26055830e+01-0.19593434e-03 0.10673722e-06-0.16423940e-10 0.81870580e-15 2 0.85411742e+05 0.41923868e+01 0.25542395e+01-0.32153772e-03 0.73379223e-06 3 -0.73223487e-09 0.26652144e-12 0.85442681e+05 0.45313085e+01 0.86195097e+05 4 c2h6 g 8/88c 2h 6 0 0g 200.000 6000.00 1000.00 1 4.04666411e+00 1.53538802e-02-5.47039485e-06 8.77826544e-10-5.23167531e-14 2 -1.24473499e+04-9.68698313e-01 4.29142572e+00-5.50154901e-03 5.99438458e-05 3 -7.08466469e-08 2.68685836e-11-1.15222056e+04 2.66678994e+00-1.00849652e+04 4 c2h5 8/ 4/ 4 thermc 2h 5 0 0g 300.000 5000.000 1387.000 11 5.88784390e+00 1.03076793e-02-3.46844396e-06 5.32499257e-10-3.06512651e-14 2 1.15065499e+04-8.49651771e+00 1.32730217e+00 1.76656753e-02-6.14926558e-06 3 -3.01143466e-10 4.38617775e-13 1.34284028e+04 1.71789216e+01 4 c2h4 g 1/00c 2 h 4 0 0 g 200.000 6000.00 1000.00 1 3.99182724e+00 1.04833908e-02-3.71721342e-06 5.94628366e-10-3.53630386e-14 2 4.26865851e+03-2.69081762e-01 3.95920063e+00-7.57051373e-03 5.70989993e-05 3 -6.91588352e-08 2.69884190e-11 5.08977598e+03 4.09730213e+00 6.31426266e+03 4 c2h3 atct/ac 2 h 3 0 0 g 200.000 6000.00 1000.00 1 4.15026763e+00 7.54021341e-03-2.62997847e-06 4.15974048e-10-2.45407509e-14 2 3.38566380e+04 1.72812235e+00 3.36377642e+00 2.65765722e-04 2.79620704e-05 3 -3.72986942e-08 1.51590176e-11 3.44749589e+04 7.91510092e+00 3.56701718e+04 4 c2h2 g 1/91c 2 h 2 0 0 g 200.000 6000.00 1000.00 1 4.65878489e+00 4.88396667e-03-1.60828888e-06 2.46974544e-10-1.38605959e-14 2 2.57594042e+04-3.99838194e+00 8.08679682e-01 2.33615762e-02-3.55172234e-05 3 2.80152958e-08-8.50075165e-12 2.64289808e+04 1.39396761e+01 2.74459950e+04 4 c2h t 5/10c 2 h 1 0 0 g 200.000 6000.00 1000.00 1 3.66270248e+00 3.82492252e-03-1.36632500e-06 2.13455040e-10-1.23216848e-14 2 6.71683790e+04 3.92205792e+00 2.89867676e+00 1.32988489e-02-2.80733327e-05 3 2.89484755e-08-1.07502351e-11 6.70616050e+04 6.18547632e+00 6.83210436e+04 4 ch3cho l 8/88c 2 h 4 o 1 0 g 200.000 6000.00 1000.00 1 0.54041108e+01 0.11723059e-01-0.42263137e-05 0.68372451e-09-0.40984863e-13 2 -0.22593122e+05-0.34807917e+01 0.47294595e+01-0.31932858e-02 0.47534921e-04 3 -0.57458611e-07 0.21931112e-10-0.21572878e+05 0.41030159e+01-0.19987949e+05 4 ch3co iu2/03c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 0.53137165e+01 0.91737793e-02-0.33220386e-05 0.53947456e-09-0.32452368e-13 2 -0.36450414e+04-0.16757558e+01 0.40358705e+01 0.87729487e-03 0.30710010e-04 3 -0.39247565e-07 0.15296869e-10-0.26820738e+04 0.78617682e+01-0.12388039e+04 4 ch2cho t03/10c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 6.53928338e+00 7.80238629e-03-2.76413612e-06 4.42098906e-10-2.62954290e-14 2 -1.18858659e+03-8.72091393e+00 2.79502600e+00 1.01099472e-02 1.61750645e-05 3 -3.10303145e-08 1.39436139e-11 1.62944975e+02 1.23646657e+01 1.53380440e+03 4 ch2co h 2c 2o 1 0g 300.000 5000.000 1391.000 01 6.60179400e+00 5.23168519e-03-1.79376283e-06 2.82183642e-10-1.65610107e-14 2 -8.61085819e+03-1.13932316e+01 1.65982341e+00 1.74426787e-02-1.35629541e-05 3 5.53065784e-09-9.24027432e-13-6.95849922e+03 1.49168757e+01 4 hcco t 4/09h 1 c 2 o 1 0 g 200.000 6000.00 1000.00 1 5.91479333e+00 3.71408730e-03-1.30137010e-06 2.06473345e-10-1.21476759e-14 2 1.93596301e+04-5.50567269e+00 1.87607969e+00 2.21205418e-02-3.58869325e-05 3 3.05402541e-08-1.01281069e-11 2.01633840e+04 1.36968290e+01 2.14444387e+04 4 hccoh t12/09c 2 h 2 o 1 0 g 200.000 6000.00 1000.00 1 6.37509678e+00 5.49429011e-03-1.88136576e-06 2.93803536e-10-1.71771901e-14 2 8.93277676e+03-8.24498007e+00 2.05541154e+00 2.52003372e-02-3.80821654e-05 3 3.09890632e-08-9.89799902e-12 9.76872113e+03 1.22271534e+01 1.12217316e+04 4 ch3co3h 6/26/95 thermc 2h 4o 3 0g 300.000 5000.000 1391.000 31 1.25060485e+01 9.47789695e-03-3.30402246e-06 5.19630793e-10-3.04233568e-14 2 -4.59856703e+04-3.79195947e+01 2.24135876e+00 3.37963514e-02-2.53887482e-05 3 9.67583587e-09-1.49266157e-12-4.24677831e+04 1.70668133e+01 4 ch3co3 4/ 3/ 0 thermc 2h 3o 3 0g 300.000 5000.000 1391.000 21 1.12522498e+01 8.33652672e-03-2.89014530e-06 4.52781734e-10-2.64354456e-14 2 -2.60238584e+04-2.96370457e+01 3.60373432e+00 2.70080341e-02-2.08293438e-05 3 8.50541104e-09-1.43846110e-12-2.34205171e+04 1.12014914e+01 4 ch3co2 2/14/95 thermc 2h 3o 2 0g 300.000 5000.000 1395.000 11 8.54059736e+00 8.32951214e-03-2.84722010e-06 4.41927196e-10-2.56373394e-14 2 -2.97290678e+04-2.03883545e+01 1.37440768e+00 2.49115604e-02-1.74308894e-05 3 6.24799508e-09-9.09516835e-13-2.72330150e+04 1.81405454e+01 4 c2h5oh l 8/88c 2 h 6 o 1 0 g 200.000 6000.00 1000.00 1 0.65624365e+01 0.15204222e-01-0.53896795e-05 0.86225011e-09-0.51289787e-13 2 -0.31525621e+05-0.94730202e+01 0.48586957e+01-0.37401726e-02 0.69555378e-04 3 -0.88654796e-07 0.35168835e-10-0.29996132e+05 0.48018545e+01-0.28257829e+05 4 pc2h4oh t12/01c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 7.02824536e+00 1.20037746e-02-4.21306455e-06 6.69471213e-10-3.96371893e-14 2 -5.92493321e+03-9.40355948e+00 4.47893092e+00 7.59782301e-03 2.81794908e-05 3 -4.26953487e-08 1.78878934e-11-4.71446256e+03 6.38921206e+00-2.86833500e+03 4 sc2h4oh t10/04c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.35842302e+00 1.24356276e-02-4.33096839e-06 6.84530381e-10-4.03713238e-14 2 -9.37900432e+03-6.05106112e+00 4.22283250e+00 5.12174798e-03 3.48386522e-05 3 -4.91943637e-08 2.01183723e-11-8.20503939e+03 8.01675700e+00-6.49827831e+03 4 c2h5o iu2/03c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 0.66889982e+01 0.13125676e-01-0.47038840e-05 0.75858552e-09-0.45413306e-13 2 -0.47457832e+04-0.96983755e+01 0.43074268e+01 0.64147205e-02 0.31139714e-04 3 -0.43314083e-07 0.17276184e-10-0.34027524e+04 0.59025837e+01-0.16357022e+04 4 o2c2h4oh 9/ 1/12 thermc 2h 5o 3 0g 300.000 5000.000 1506.000 41 1.27503881e+01 1.11514325e-02-3.83473891e-06 5.98155829e-10-3.48372108e-14 2 -2.52770876e+04-3.54317608e+01 7.04009800e+00 1.59564166e-02 2.21097416e-06 3 -7.05197355e-09 2.08266026e-12-2.24524432e+04-1.75361758e+00 4 c2h5o2h 9/ 1/12 c 2h 6o 2 0g 300.000 5000.000 1390.000 31 1.04823538e+01 1.34779879e-02-4.62179078e-06 7.18618519e-10-4.17307436e-14 2 -2.46578171e+04-2.84294243e+01 1.83755328e+00 3.38053586e-02-2.37548140e-05 3 9.31974865e-09-1.58003428e-12-2.15814086e+04 1.80977584e+01 4 c2h5o2 9/ 1/12 c 2h 5o 2 0g 300.000 5000.000 1389.000 21 9.50282570e+00 1.20429839e-02-4.09491581e-06 6.33049241e-10-3.66133788e-14 2 -7.37069391e+03-2.21717130e+01 3.90351912e+00 2.22599212e-02-1.01610079e-05 3 1.71709751e-09 1.88166738e-14-5.09654081e+03 8.98722750e+00 4 c2h4o2h 9/ 1/12 c 2h 5o 2 0g 300.000 5000.000 1389.000 31 1.00590614e+01 1.13378955e-02-3.89403387e-06 6.06090687e-10-3.52212353e-14 2 4.24048653e+02-2.32086536e+01 2.75788364e+00 2.88271987e-02-2.08302264e-05 3 8.47401397e-09-1.48617610e-12 3.00153893e+03 1.59921711e+01 4 ch3cho2h 9/ 1/12 c 2h 5o 2 0g 300.000 5000.000 1386.000 31 9.94166406e+00 1.14384962e-02-3.92847407e-06 6.11402143e-10-3.55267132e-14 2 -2.02545876e+03-2.22163407e+01 4.16440687e+00 2.38795950e-02-1.46887446e-05 3 5.18066666e-09-8.37968487e-13 1.87348817e+02 9.35429162e+00 4 c2h4o1-2 l 8/88c 2 h 4 o 1 0 g 200.000 6000.00 1000.00 1 0.54887641e+01 0.12046190e-01-0.43336931e-05 0.70028311e-09-0.41949088e-13 2 -0.91804251e+04-0.70799605e+01 0.37590532e+01-0.94412180e-02 0.80309721e-04 3 -0.10080788e-06 0.40039921e-10-0.75608143e+04 0.78497475e+01-0.63304657e+04 4 c2h3o1-2 a 1/05c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 5.60158035e+00 9.17613962e-03-3.28028902e-06 5.27903888e-10-3.15362241e-14 2 1.71446252e+04-5.47228512e+00 3.58349017e+00-6.02275805e-03 6.32426867e-05 3 -8.18540707e-08 3.30444505e-11 1.85681353e+04 9.59725926e+00 1.97814471e+04 4 ch3coch3 atct ac 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 7.29796974e+00 1.75656913e-02-6.31678065e-06 1.02025553e-09-6.10903592e-14 2 -2.95368927e+04-1.27591704e+01 5.55638920e+00-2.83863547e-03 7.05722951e-05 3 -8.78130984e-08 3.40290951e-11-2.78325393e+04 2.31960221e+00-2.58360384e+04 4 ch3coch2 a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 7.54410697e+00 1.43443222e-02-5.08381081e-06 8.13200521e-10-4.83673315e-14 2 -7.48672286e+03-1.14792587e+01 4.70187196e+00 5.51653762e-03 4.27505858e-05 3 -5.94680816e-08 2.40685378e-11-5.92845491e+03 7.12932590e+00-4.00985747e+03 4 ch3coch2o2 2/14/95 c 3h 5o 3 0g 300.000 5000.000 1379.00 31 1.27690342e+01 1.42554828e-02-4.92821461e-06 7.70448921e-10-4.49110534e-14 2 -2.34798669e+04-3.27155799e+01 5.95535468e+00 2.70255205e-02-1.37385031e-05 3 3.53735851e-09-4.03922557e-13-2.06679464e+04 5.21436049e+00 4 ch3coch2o2h 2/14/95 c 3h 6o 3 0g 300.000 5000.000 1381.00 41 1.52372810e+01 1.44114651e-02-5.01290009e-06 7.87071229e-10-4.60225784e-14 2 -4.27564444e+04-4.77383784e+01 4.94789761e+00 3.60474432e-02-2.21719933e-05 3 6.98296874e-09-9.21269260e-13-3.88687178e+04 8.49926130e+00 4 ch3coch2o 4/ 3/ 0 thermc 3h 5o 2 0g 300.000 5000.000 1370.000 21 1.14637586e+01 1.32124342e-02-4.56580495e-06 7.13897538e-10-4.16281047e-14 2 -2.23833017e+04-3.15127868e+01 3.72927689e+00 2.63943697e-02-1.09796486e-05 3 8.58185303e-10 3.39474590e-13-1.91551565e+04 1.18505335e+01 4 c2h3och2 h 5 c 3 o 1 g 298.0 6000.0 1000.0 1 1.00397568e+01 1.18952742e-02-4.13512716e-06 6.51590471e-10-3.83196617e-14 2 7.27301530e+03-2.57171542e+01-1.44860882e+00 5.42514911e-02-7.45556749e-05 3 6.03597706e-08-2.01938036e-11 1.01608402e+04 3.16318657e+01 4 c2h3cho kps12 c 3h 4o 1 0g 300.000 5000.000 1398.000 01 9.99155394e+00 9.82348001e-03-3.31203088e-06 5.09524422e-10-2.93821890e-14 2 -1.25303509e+04-2.85168883e+01 7.33844455e-01 3.17482671e-02-2.29599468e-05 3 8.42104232e-09-1.23613478e-12-9.38473548e+03 2.10308851e+01 4 c2h3co kps12 c 3h 3o 1 0g 300.000 5000.000 1395.000 01 8.86032735e+00 8.48985205e-03-2.90350080e-06 4.50763986e-10-2.61524281e-14 2 7.73489171e+03-2.06978792e+01 1.65335195e+00 2.57402596e-02-1.89009911e-05 3 7.29174972e-09-1.16083226e-12 1.02020654e+04 1.78705872e+01 4 c3h5o kps12 c 3h 5o 1 0g 300.000 5000.000 1402.000 01 1.02638186e+01 1.17609932e-02-3.89837957e-06 5.92650815e-10-3.38867417e-14 2 7.25938472e+03-2.75108651e+01 8.24068673e-01 3.46749909e-02-2.51786795e-05 3 9.56781953e-09-1.48085302e-12 1.04203725e+04 2.28283070e+01 4 c2h5cho t05/10c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 7.44085690e+00 1.77301764e-02-6.34081568e-06 1.02040803e-09-6.09461714e-14 2 -2.60055814e+04-1.44195446e+01 4.24529681e+00 6.68296706e-03 4.93337933e-05 3 -6.71986124e-08 2.67262347e-11-2.41473007e+04 6.90738560e+00-2.22688471e+04 4 c2h5co a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.52325448e+00 1.54211952e-02-5.50898157e-06 8.85889862e-10-5.28846399e-14 2 -7.19631634e+03-5.19862218e+00 6.25722402e+00-9.17612184e-03 7.61190493e-05 3 -9.05514997e-08 3.46198215e-11-5.91616484e+03 2.23330599e+00-3.94851891e+03 4 ch2ch2cho 8/10/ 4 thermc 3h 5o 1 0g 300.000 5000.000 1363.000 21 9.96855598e+00 1.61917946e-02-6.64161740e-06 1.15444520e-09-7.21981790e-14 2 -4.16450354e+03-2.73971573e+01 8.36272659e+00-3.90712606e-03 3.59751257e-05 3 -2.69209237e-08 5.98920261e-12-7.55243244e+02-9.53140102e+00 4 ch3chcho 8/10/ 4 thermc 3h 5o 1 0g 300.000 5000.000 1253.000 21 8.27772090e+00 1.95687188e-02-8.47575089e-06 1.53249728e-09-9.86441542e-14 2 -8.34456062e+03-2.17652483e+01-2.72811212e+00 3.80354483e-02-1.96782132e-05 3 5.09554570e-09-7.28789092e-13-3.51122739e+03 4.04496677e+01 4 !!!!!!!!!!!!!!!!!!!!!!!AramcoMech2.0 optimised groups!!!!!!!!!!!!!!!!!!!!!!!!!!! ch3och3 2/11/14 thermc 2h 6o 1 0g 300.000 5000.000 1999.000 21 6.03232751e+00 1.56155270e-02-5.50761030e-06 8.75666140e-10-5.17180562e-14 2 -2.52690354e+04-8.25885183e+00 2.05597390e+00 2.07019456e-02-5.00382376e-06 3 -1.62279885e-09 6.84330155e-13-2.35494445e+04 1.45029944e+01 4 ch3och2 2/11/14 thermc 2h 5o 1 0g 300.000 5000.000 1395.000 11 6.62621974e+00 1.22219496e-02-4.12416696e-06 6.34127512e-10-3.65317390e-14 2 -3.33965890e+03-8.95305753e+00 1.58874948e+00 2.24414123e-02-1.19434933e-05 3 3.37160213e-09-4.15077249e-13-1.37208255e+03 1.87548958e+01 4 ch3och2o2h 2/12/14 thermc 2h 6o 3 0g 300.000 5000.000 1404.000 31 1.28159161e+01 1.34818095e-02-4.50397729e-06 6.88229286e-10-3.94883680e-14 2 -4.06745921e+04-3.78047802e+01 1.05786981e+00 4.36787095e-02-3.46383899e-05 3 1.44808830e-08-2.46100643e-12-3.68851076e+04 2.43391936e+01 4 ch3och2o2 2/12/14 thermc 2h 5o 3 0g 300.000 5000.000 1441.000 21 1.19179361e+01 1.19412867e-02-3.93526185e-06 5.95756132e-10-3.39597705e-14 2 -2.34231833e+04-3.20096863e+01 3.39930541e+00 3.09460407e-02-1.92548181e-05 3 5.76033887e-09-6.16081571e-13-2.04433218e+04 1.39429608e+01 4 ch2och2o2h 2/12/14 thermc 2h 5o 3 0g 300.000 5000.000 1418.000 21 1.23892901e+01 1.11758961e-02-3.59249095e-06 5.34196366e-10-3.00536541e-14 2 -1.80551598e+04-3.29576862e+01 1.62245477e-01 4.76101093e-02-4.52046954e-05 3 2.18379311e-08-4.11295947e-12-1.46498100e+04 2.98253164e+01 4 o2ch2och2o2h 2/12/14 ermc 2h 5o 5 0g 300.000 5000.000 1433.000 31 1.77378326e+01 1.13589899e-02-3.67382539e-06 5.49255712e-10-3.10405899e-14 2 -3.82903058e+04-5.66609932e+01 2.39977678e+00 5.39881943e-02-4.87969524e-05 3 2.19792134e-08-3.86106979e-12-3.37824638e+04 2.30683371e+01 4 ho2ch2ocho 2/12/14 thermc 2h 4o 4 0g 300.000 5000.000 1386.000 31 1.57136128e+01 9.64430166e-03-3.44136025e-06 5.49722196e-10-3.25360322e-14 2 -6.29409094e+04-5.29505242e+01 1.21909586e+00 4.28858235e-02-3.17634222e-05 3 1.11542676e-08-1.49753153e-12-5.79287926e+04 2.49759193e+01 4 ch3och2o 5/15/14 thermc 2h 5o 2 0g 300.000 5000.000 1523.000 31 9.81288609e+00 1.21313106e-02-4.30285768e-06 6.84443177e-10-4.03862658e-14 2 -2.50760742e+04-2.51866352e+01 5.63414373e+00 8.92830283e-03 1.37225633e-05 3 -1.40497059e-08 3.54625624e-12-2.22825214e+04 1.93588846e+00 4 hoch2oco 5/29/14 thermc 2h 3o 3 0g 300.000 5000.000 1443.000 11 1.11498410e+01 9.34736520e-03-3.35541548e-06 5.38037115e-10-3.19260183e-14 2 -4.75012119e+04-2.95983867e+01 5.95255071e+00 8.42196282e-03 1.36741678e-05 3 -1.46786275e-08 3.84143533e-12-4.44470269e+04 2.85657217e+00 4 och2ocho 5/29/14 thermc 2h 3o 3 0g 300.000 5000.000 1523.000 21 1.24013200e+01 7.83738243e-03-2.82992688e-06 4.55558739e-10-2.71061389e-14 2 -4.68453470e+04-3.78084549e+01 1.89539692e+00 2.74118545e-02-1.36476090e-05 3 1.26325603e-09 5.17970476e-13-4.27879440e+04 2.02333278e+01 4 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ch3ocho t 6/08c 2 h 4 o 2 0 g 200.000 6000.00 1000.00 1 6.33360880e+00 1.34851485e-02-4.84305805e-06 7.81719241e-10-4.67917447e-14 2 -4.68316521e+04-6.91542601e+00 5.96757028e+00-9.38085425e-03 7.07648417e-05 3 -8.29932227e-08 3.13522917e-11-4.55713267e+04 7.50341113e-01-4.37330508e+04 4 ch3oco 5/ 8/ 3 thermc 2h 3o 2 0g 300.000 5000.000 1601.000 21 9.73659803e+00 7.42432713e-03-2.65641779e-06 4.25031143e-10-2.51824924e-14 2 -2.36015721e+04-2.36353471e+01 4.16215406e+00 1.38037511e-02-3.08486109e-07 3 -4.56430814e-09 1.46909632e-12-2.10130301e+04 8.64301044e+00 4 ch2ocho 4/15/ 8 thermc 2h 3o 2 0g 300.000 5000.000 1442.000 21 1.00960096e+01 7.19887066e-03-2.59813465e-06 4.18110812e-10-2.48723387e-14 2 -2.36389018e+04-2.71144175e+01 2.31031671e+00 1.80474065e-02-2.71519637e-06 3 -4.60918579e-09 1.70037078e-12-2.02910878e+04 1.71549722e+01 4 he g 5/97he 1 0 0 0 g 200.000 6000.00 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 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 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 hccchcch 0c 5h 3 0 0g 200.000 5000.000 1000.00 0 1 0.10313636e+02 0.10278554e-01-0.37086568e-05 0.60568664e-09-0.36721455e-13 2 0.65859508e+05-0.26380088e+02 0.10442368e+01 0.44574721e-01-0.50980758e-04 3 0.29338989e-07-0.65246891e-11 0.67852460e+05 0.19034765e+02 4 c4h5c2h 0c 6h 6 0 0g 200.000 5000.000 1100.00 0 1 0.13903605e+02 0.17453182e-01-0.63026581e-05 0.10316520e-08-0.63440931e-13 2 0.35975470e+05-0.47671401e+02-0.23220260e+00 0.54092928e-01-0.36134322e-04 3 0.69104632e-08 0.13734168e-11 0.39978520e+05 0.25932864e+02 4 fulvene 0c 6h 6 0 0g 200.000 5000.000 1000.00 0 1 0.11103525e+02 0.20600685e-01-0.75302224e-05 0.12388695e-08-0.75415976e-13 2 0.20361843e+05-0.36665197e+02-0.71813191e+00 0.37934312e-01 0.11398837e-04 3 -0.41333503e-07 0.18055927e-10 0.24223825e+05 0.27855714e+02 4 chcch2ch2chch2 c 6h 8 g 298.000 3000.000 1000.00 1 6.73656828e+00 3.59801214e-02-1.79442697e-05 4.36251971e-09-4.18063104e-13 2 2.66969542e+04-5.89162957e+00 6.81481260e-01 5.74228263e-02-4.59418624e-05 3 2.02499383e-08-3.69550697e-12 2.80468538e+04 2.40150759e+01 4 ch2cchch2chch2 c 6h 8 g 298.000 3000.000 1000.00 1 6.12935228e+00 3.64294776e-02-1.79425649e-05 4.29189667e-09-4.04087462e-13 2 2.64952935e+04-1.70336741e+00 3.40906598e+00 3.94865090e-02-1.07919414e-05 3 -8.29929939e-09 4.69973999e-12 2.74305565e+04 1.33764700e+01 4 c3h3 t 7/11c 3 h 3 0 0 g 200.000 6000.00 1000.000 1 7.14221719e+00 7.61902211e-03-2.67460030e-06 4.24914904e-10-2.51475443e-14 2 3.95709594e+04-1.25848690e+01 1.35110873e+00 3.27411291e-02-4.73827407e-05 3 3.76310220e-08-1.18541128e-11 4.07679941e+04 1.52058598e+01 4.22762135e+04 4 c3h3o 1/31/13 c 3h 3o 1 0g 300.000 5000.000 1539.000 21 1.53343473e+01 3.37165935e-03-1.47376680e-06 2.68145680e-10-1.73488725e-14 2 2.24265932e+04-6.26451420e+01-1.26339760e+00 9.87046868e-03 3.01369100e-05 3 -3.05869836e-08 7.86111517e-12 3.15351916e+04 3.81681389e+01 4 c3h3o2h 1/31/13 c 3h 4o 2 0g 300.000 5000.000 1385.000 31 1.38152174e+01 8.62174763e-03-3.06710006e-06 4.88874247e-10-2.88888385e-14 2 6.29182941e+03-4.39151257e+01 1.09787313e+00 4.22717882e-02-3.83969355e-05 3 1.77405069e-08-3.27674312e-12 1.03592314e+04 2.30651783e+01 4 c2hcho 1/31/13 c 3h 2o 1 0g 300.000 5000.000 2012.000 11 7.99952054e+00 7.07825497e-03-2.63086819e-06 4.33073185e-10-2.62003284e-14 2 8.71863156e+03-1.57226237e+01 4.20776611e+00 1.34382727e-02-5.15442099e-06 3 -2.24570818e-11 2.74111284e-13 1.02117375e+04 5.43871873e+00 4 c3h2 t12/00c 3 h 2 0 0 g 200.000 6000.00 1000.00 1 6.67324762e+00 5.57728845e-03-1.99180164e-06 3.20289156e-10-1.91216272e-14 2 7.57571184e+04-9.72894405e+00 2.43417332e+00 1.73013063e-02-1.18294047e-05 3 1.02756396e-09 1.62626314e-12 7.69074892e+04 1.21012230e+01 7.83005132e+04 4 c3h2(s) 0c 3h 2 0 0g 200.000 5000.000 900.00 0 1 0.77642570e+01 0.47112774e-02-0.16170637e-05 0.25472406e-09-0.15038572e-13 2 0.66849672e+05-0.15098549e+02 0.52976482e+01 0.16987466e-01-0.24266517e-04 3 0.18653681e-07-0.55763001e-11 0.67240466e+05-0.37540041e+01 4 c3h2c 0c 3h 2 0 0g 200.000 5000.000 1500.00 0 1 0.65632680e+01 0.52363256e-02-0.17544830e-05 0.26866106e-09-0.15428509e-13 2 0.56514618e+05-0.12000607e+02 0.11295888e+01 0.17287401e-01-0.11366823e-04 3 0.34569296e-08-0.36615951e-12 0.58419080e+05 0.17331448e+02 4 h2ccc(s) 0c 3h 2 0 0g 200.000 5000.000 1500.00 0 1 0.64888762e+01 0.53112789e-02-0.17809490e-05 0.27252642e-09-0.15619590e-13 2 0.63661864e+05-0.10064283e+02 0.37229726e+01 0.92589854e-02-0.23006191e-05 3 -0.10200808e-08 0.45374357e-12 0.64877289e+05 0.56865936e+01 4 c3h6ooh1-3 9/ 1/12 c 3h 7o 2 0g 300.000 5000.000 1401.000 41 1.39130757e+01 1.40218463e-02-4.55921149e-06 6.84182417e-10-3.87696213e-14 2 -3.65650518e+03-4.21532559e+01 1.74271107e+00 4.53733504e-02-3.57580373e-05 3 1.48540053e-08-2.49981756e-12 2.32580844e+02 2.20973041e+01 4 c3h6ooh1-2 9/ 1/12 c 3h 7o 2 0g 300.000 5000.000 1387.000 41 1.38088686e+01 1.43845650e-02-4.74440961e-06 7.19308280e-10-4.10654123e-14 2 -5.14352831e+03-4.20210765e+01 2.83631132e+00 3.88229894e-02-2.47944364e-05 3 7.85644898e-09-9.58634300e-13-1.26002528e+03 1.72549973e+01 4 c3h6ooh2-1 9/ 1/12 c 3h 7o 2 0g 300.000 5000.000 1393.000 41 1.36645362e+01 1.54329764e-02-5.29285952e-06 8.23001262e-10-4.77931121e-14 2 -5.58295862e+03-4.28758364e+01 2.38465746e+00 4.42928555e-02-3.50977087e-05 3 1.53695144e-08-2.81167824e-12-1.80979612e+03 1.69923285e+01 4 c3h6ooh2-2 9/ 1/12 c 3h 7o 2 0g 300.000 5000.000 1387.000 41 1.28195023e+01 1.60998199e-02-5.51073827e-06 8.55673475e-10-4.96391225e-14 2 -8.96332407e+03-3.66195515e+01 5.31236076e+00 3.16261247e-02-1.81191476e-05 3 5.81572618e-09-8.62108993e-13-6.02627337e+03 4.62683594e+00 4 c3h6ooh1-3o2 9/ 1/12 c 3h 7o 4 0g 300.000 5000.000 1416.000 51 1.81661664e+01 1.47644887e-02-4.74842743e-06 7.06972467e-10-3.98305587e-14 2 -2.26256376e+04-5.93719393e+01 5.56933350e+00 4.68523421e-02-3.58917784e-05 3 1.43314525e-08-2.29776083e-12-1.86065694e+04 7.18655005e+00 4 c3h6ooh1-2o2 9/ 1/12 c 3h 7o 4 0g 300.000 5000.000 1404.000 51 1.91044980e+01 1.44076100e-02-4.72127814e-06 7.12631642e-10-4.05578490e-14 2 -2.50270510e+04-6.63747978e+01 3.99085043e+00 5.31865338e-02-4.28597948e-05 3 1.77187019e-08-2.92768695e-12-2.02143526e+04 1.34150719e+01 4 c3h6ooh2-1o2 9/ 1/12 c 3h 7o 4 0g 300.000 5000.000 1404.000 51 1.91044980e+01 1.44076100e-02-4.72127814e-06 7.12631642e-10-4.05578490e-14 2 -2.50270510e+04-6.63747978e+01 3.99085043e+00 5.31865338e-02-4.28597948e-05 3 1.77187019e-08-2.92768695e-12-2.02143526e+04 1.34150719e+01 4 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 9/ 1/12 c 3h 7o 1 0g 300.000 5000.000 1386.000 21 1.14627518e+01 1.51011907e-02-5.07470532e-06 7.78736627e-10-4.48206286e-14 2 -1.13388060e+04-3.60564653e+01 1.69886473e+00 3.63643211e-02-2.24587302e-05 3 7.15111944e-09-9.33278403e-13-7.77098005e+03 1.69680075e+01 4 nc3h7o2h 9/ 1/12 c 3h 8o 2 0g 300.000 5000.000 1394.000 41 1.46883407e+01 1.60212483e-02-5.27531221e-06 7.98877253e-10-4.55711618e-14 2 -2.90318646e+04-4.95529916e+01 9.13626931e-01 4.89566251e-02-3.51850148e-05 3 1.30546796e-08-1.95621807e-12-2.43818102e+04 2.40611651e+01 4 nc3h7o2 9/ 1/12 c 3h 7o 2 0g 300.000 5000.000 1500.000 31 1.36927178e+01 1.46801304e-02-4.79793976e-06 7.22768575e-10-4.10732852e-14 2 -1.17561732e+04-4.32476343e+01 3.13948561e+00 3.66456006e-02-2.03703424e-05 3 4.70670546e-09-1.99573208e-13-7.91997431e+03 1.42198984e+01 4 ic3h7o2h 9/ 1/12 c 3h 8o 2 0g 300.000 5000.000 1393.000 41 1.40855241e+01 1.75805904e-02-6.02432523e-06 9.36214739e-10-5.43465682e-14 2 -3.06618857e+04-4.81005453e+01 1.47731961e+00 4.92440994e-02-3.79913951e-05 3 1.61970607e-08-2.90125059e-12-2.63956602e+04 1.90105627e+01 4 ic3h7o2 9/ 1/12 c 3h 7o 2 0g 300.000 5000.000 1395.000 31 1.33991937e+01 1.58889581e-02-5.40791162e-06 8.36616758e-10-4.84119240e-14 2 -1.34911944e+04-4.35329618e+01 3.42416052e+00 3.84321103e-02-2.50950244e-05 3 8.80154103e-09-1.31154059e-12-9.90211798e+03 1.03892668e+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 c3h6oh1-2 9/ 1/12 c 3h 7o 1 0g 300.000 5000.000 1395.000 31 1.00338281e+01 1.60227373e-02-5.41658448e-06 8.34191172e-10-4.81215988e-14 2 -1.27912397e+04-2.39034395e+01 5.05207596e-01 3.63869988e-02-2.15530901e-05 3 6.45584786e-09-7.71267046e-13-9.26980840e+03 2.79804349e+01 4 hoc3h6o2 9/ 1/12 c 3h 7o 3 0g 300.000 5000.000 1407.000 41 1.56948113e+01 1.57703692e-02-5.30501726e-06 8.14307835e-10-4.68666193e-14 2 -3.24540840e+04-5.06084117e+01 2.84960487e+00 4.77244552e-02-3.60392974e-05 3 1.43479922e-08-2.33507634e-12-2.82106103e+04 1.76478537e+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 goldsmith c 3h 6o 2 0g 298.0 6000.0 1000.000 31 1.20838649e+01 1.47946591e-02-5.13212591e-06 8.07504999e-10-4.74394983e-14 2 -1.02184463e+04-3.36434791e+01 3.18124993e+00 4.35233041e-02-5.16277353e-05 3 4.32011427e-08-1.57714983e-11-7.63521503e+03 1.21725683e+01 4 ac4h7ooh 6/17/13 thermc 4h 8o 2 0g 300.000 5000.000 1395.000 41 1.47661443e+01 2.12235231e-02-7.09403390e-06 1.08423759e-09-6.22145708e-14 2 -1.35617411e+04-4.77449138e+01 1.33470633e+00 5.27831440e-02-3.58861360e-05 3 1.32495013e-08-2.06619289e-12-8.87891782e+03 2.43857336e+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 9/ 1/12 c 4h 10 0 0g 300.000 5000.000 1389.000 31 1.25231536e+01 2.18666638e-02-7.50125881e-06 1.16671087e-09-6.77696640e-14 2 -2.18475689e+04-4.46643459e+01-4.02516492e-01 4.79826446e-02-2.65875714e-05 3 7.07078402e-09-6.98493372e-13-1.68794837e+04 2.63198718e+01 4 pc4h9 9/ 1/12 c 4h 9 0 0g 300.000 5000.000 1393.000 31 1.18227273e+01 1.97584602e-02-6.73845199e-06 1.04383408e-09-6.04576130e-14 2 3.50333683e+03-3.69846129e+01 3.50939027e-01 4.47616979e-02-2.76331489e-05 3 9.10558432e-09-1.28318459e-12 7.74508072e+03 2.53924028e+01 4 sc4h9 9/ 1/12 c 4h 9 0 0g 300.000 5000.000 1388.000 31 1.11370287e+01 2.04038703e-02-6.97571297e-06 1.08244679e-09-6.27714790e-14 2 1.95591491e+03-3.30856128e+01 6.23603962e-01 3.99289701e-02-1.89596886e-05 3 3.45938210e-09-2.39235619e-14 6.17688777e+03 2.52737918e+01 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 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 9/ 1/12 c 4h 10o 2 0g 300.000 5000.000 1410.000 51 1.85422067e+01 1.95532704e-02-6.40903366e-06 9.67561826e-10-5.50744230e-14 2 -3.33659478e+04-6.89574879e+01 1.00788926e-01 6.35127410e-02-4.55348612e-05 3 1.63427400e-08-2.29549654e-12-2.71975592e+04 2.95249361e+01 4 pc4h9o2 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1663.000 41 1.58558021e+01 2.04563545e-02-6.93230110e-06 1.07504998e-09-6.24729238e-14 2 -1.51651087e+04-5.27319441e+01 2.16957521e+00 5.22744687e-02-3.32954958e-05 3 1.03030945e-08-1.20770740e-12-1.07180659e+04 2.03541558e+01 4 sc4h9o2h 9/ 1/12 c 4h 10o 2 0g 300.000 5000.000 1395.000 51 1.85276559e+01 1.96998004e-02-6.48703965e-06 9.82426308e-10-5.60434220e-14 2 -3.51152892e+04-6.98322937e+01 4.05944553e-01 6.48970390e-02-4.98857846e-05 3 2.00008685e-08-3.25194364e-12-2.91704448e+04 2.63739532e+01 4 sc4h9o2 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1408.000 41 1.71094567e+01 1.90236957e-02-6.29508198e-06 9.55825976e-10-5.46024443e-14 2 -1.76672012e+04-6.11399832e+01 2.68574393e+00 5.26273779e-02-3.56094836e-05 3 1.22899616e-08-1.68623273e-12-1.27229421e+04 1.62316995e+01 4 pc4h9o 8/ 9/ 4 thermc 4h 9o 1 0g 300.000 5000.000 1403.000 31 1.49315588e+01 1.95927054e-02-6.66958265e-06 1.03222635e-09-5.97583630e-14 2 -1.46178979e+04-5.25561919e+01-4.99964924e-01 5.37157310e-02-3.44426650e-05 3 1.08145957e-08-1.29600044e-12-9.11644218e+03 3.09183423e+01 4 sc4h9o 8/ 9/ 4 thermc 4h 9o 1 0g 300.000 5000.000 1679.000 31 1.43323395e+01 2.04542365e-02-7.12271896e-06 1.12545447e-09-6.62697853e-14 2 -1.60006806e+04-5.02030895e+01-4.09000900e-01 5.38573427e-02-3.39105695e-05 3 1.01023834e-08-1.11268025e-12-1.11109627e+04 2.88554742e+01 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 c4h8oh-1o2 6/26/95 thermc 4h 9o 3 0g 300.000 5000.000 1396.000 51 1.74383247e+01 2.16778876e-02-7.37772628e-06 1.14128811e-09-6.60391451e-14 2 -3.55892620e+04-5.71247140e+01 2.88497398e+00 5.63287929e-02-3.98403503e-05 3 1.53891643e-08-2.51940787e-12-3.05246721e+04 2.09293355e+01 4 c4h8oh-2o2 6/26/95 thermc 4h 9o 3 0g 300.000 5000.000 1399.000 51 1.82942871e+01 2.09395389e-02-7.12096934e-06 1.10103094e-09-6.36889768e-14 2 -3.80505855e+04-6.29154326e+01 2.10003504e+00 6.17528218e-02-4.77238541e-05 3 1.99145784e-08-3.44416275e-12-3.26698755e+04 2.30901271e+01 4 c4h8ooh1-1 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1406.000 51 1.80356600e+01 1.76337160e-02-5.78764161e-06 8.74574816e-10-4.98150150e-14 2 -1.07801268e+04-6.30302177e+01 2.42373919e+00 5.35214167e-02-3.61077604e-05 3 1.19327599e-08-1.49401799e-12-5.42740641e+03 2.08094850e+01 4 c4h8ooh2-2 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1386.000 51 1.70610154e+01 1.84604624e-02-6.07047864e-06 9.18310457e-10-5.23395593e-14 2 -1.33270491e+04-5.71817113e+01 4.37013729e+00 4.69920537e-02-3.01352597e-05 3 9.97591165e-09-1.33717929e-12-8.82637791e+03 1.13424525e+01 4 c4h8ooh1-2 8/23/12 c 4h 9o 2 0g 300.000 5000.000 1543.000 51 1.79390997e+01 1.82089140e-02-6.09336386e-06 9.33343734e-10-5.36802933e-14 2 -9.54818055e+03-6.32376942e+01 4.11088786e+00 4.40707552e-02-2.05662367e-05 3 2.16287651e-09 6.28147736e-13-4.21015542e+03 1.31340908e+01 4 c4h8ooh1-3 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1407.000 51 1.75957868e+01 1.78823172e-02-5.84601568e-06 8.80852127e-10-5.00662655e-14 2 -9.31608811e+03-6.01625528e+01 3.38642457e+00 4.94794333e-02-3.11731015e-05 3 9.34788901e-09-9.92348731e-13-4.34048889e+03 1.65183354e+01 4 c4h8ooh1-4 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1400.000 51 1.85835797e+01 1.74940527e-02-5.81082562e-06 8.85581555e-10-5.07537090e-14 2 -8.58260234e+03-6.68841973e+01 1.16451160e+00 5.72955861e-02-3.91319051e-05 3 1.28721497e-08-1.58263019e-12-2.58786910e+03 2.67435065e+01 4 c4h8ooh2-1 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1399.000 51 1.77802286e+01 1.77014238e-02-5.77663712e-06 8.69169184e-10-4.93475318e-14 2 -9.75728180e+03-6.26039433e+01 1.17740818e+00 6.15982544e-02-5.08527521e-05 3 2.20415677e-08-3.84993017e-12-4.54848974e+03 2.46740872e+01 4 c4h8ooh2-3 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1396.000 51 1.71222128e+01 1.83275129e-02-6.00816831e-06 9.06985051e-10-5.16189415e-14 2 -1.13097779e+04-5.88518523e+01 1.51848988e+00 5.66020683e-02-4.19819291e-05 3 1.62832583e-08-2.56698689e-12-6.13134926e+03 2.42065717e+01 4 c4h8ooh2-4 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1399.000 51 1.77802286e+01 1.77014238e-02-5.77663712e-06 8.69169184e-10-4.93475318e-14 2 -9.75728180e+03-6.26039433e+01 1.17740818e+00 6.15982544e-02-5.08527521e-05 3 2.20415677e-08-3.84993017e-12-4.54848974e+03 2.46740872e+01 4 c4h8ooh2-2 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1386.000 51 1.70610154e+01 1.84604624e-02-6.07047864e-06 9.18310457e-10-5.23395593e-14 2 -1.33270491e+04-5.71817113e+01 4.37013729e+00 4.69920537e-02-3.01352597e-05 3 9.97591165e-09-1.33717929e-12-8.82637791e+03 1.13424525e+01 4 c4h8ooh1-2o2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1407.000 61 2.20047701e+01 1.84524759e-02-5.96541861e-06 8.91556992e-10-5.03719127e-14 2 -2.87195147e+04-7.96660066e+01 4.97809196e+00 6.30221979e-02-5.08369093e-05 3 2.14022338e-08-3.61837516e-12-2.33785644e+04 9.92185868e+00 4 c4h8ooh1-3o2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1403.000 71 2.25294170e+01 1.79966270e-02-5.89860391e-06 8.90459870e-10-5.06832571e-14 2 -2.90832590e+04-8.29865593e+01 4.62285172e+00 6.29062788e-02-4.88786183e-05 3 1.94853380e-08-3.10968451e-12-2.32812507e+04 1.19093259e+01 4 c4h8ooh1-4o2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1401.000 61 2.10565572e+01 1.93146062e-02-6.27532497e-06 9.41231913e-10-5.33168957e-14 2 -2.66456739e+04-7.33584419e+01 5.66005233e+00 5.67747056e-02-4.09134514e-05 3 1.53803855e-08-2.33839484e-12-2.15285481e+04 8.66614371e+00 4 c4h8ooh2-1o2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1407.000 61 2.20047701e+01 1.84524759e-02-5.96541861e-06 8.91556992e-10-5.03719127e-14 2 -2.87195147e+04-7.96660066e+01 4.97809196e+00 6.30221979e-02-5.08369093e-05 3 2.14022338e-08-3.61837516e-12-2.33785644e+04 9.92185868e+00 4 c4h8ooh2-3o2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1406.000 61 2.25193043e+01 1.81552061e-02-5.89326339e-06 8.83422284e-10-5.00238043e-14 2 -3.08191398e+04-8.39166749e+01 3.80491691e+00 6.83934891e-02-5.79295908e-05 3 2.53748849e-08-4.43236163e-12-2.50643608e+04 1.41238878e+01 4 c4h8ooh2-4o2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1407.000 61 2.20047701e+01 1.84524759e-02-5.96541861e-06 8.91556992e-10-5.03719127e-14 2 -2.87195147e+04-7.96660066e+01 4.97809196e+00 6.30221979e-02-5.08369093e-05 3 2.14022338e-08-3.61837516e-12-2.33785644e+04 9.92185868e+00 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 t09/10c 4 h 8 o 1 0 g 200.000 6000.000 1000.00 1 9.29655016e+00 2.29172746e-02-8.22048591e-06 1.32404838e-09-7.91751980e-14 2 -3.34442311e+04-2.04993263e+01 6.61978185e+00 8.51847835e-03 5.10322077e-05 3 -6.58433042e-08 2.49110484e-11-3.15251691e+04-1.09485469e+00-2.88403536e+04 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 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1432.000 41 1.78793870e+01 1.82474607e-02-6.01252193e-06 9.11106794e-10-5.20018932e-14 2 -1.74569774e+04-6.61552973e+01 1.77219624e+00 5.34032789e-02-3.31041810e-05 3 9.24465657e-09-8.01706642e-13-1.17768774e+04 2.09581481e+01 4 tc4h9o2 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1380.000 41 1.80863238e+01 1.99282971e-02-6.98287309e-06 1.10171726e-09-6.46381057e-14 2 -2.04420664e+04-6.97533212e+01 2.63892371e+00 5.44717499e-02-3.75504698e-05 3 1.40479250e-08-2.27968600e-12-1.47598933e+04 1.40325533e+01 4 ic4h8o2h-i 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1414.000 51 1.83915486e+01 1.73042831e-02-5.66841018e-06 8.55414265e-10-4.86781778e-14 2 -9.48569748e+03-6.67673286e+01 1.86432620e-01 6.26430177e-02-4.83690886e-05 3 1.88657148e-08-2.91189385e-12-3.59086611e+03 2.97635367e+01 4 ic4h8o2h-t 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1413.000 51 1.69753885e+01 1.85198010e-02-6.09075415e-06 9.21673609e-10-5.25502501e-14 2 -1.14812757e+04-5.88259039e+01 3.84374544e+00 4.36800978e-02-2.07599526e-05 3 2.51709167e-09 5.41306513e-13-6.50766215e+03 1.34244877e+01 4 tc4h8o2h-i 9/ 1/12 c 4h 9o 2 0g 300.000 5000.000 1379.000 51 1.81415374e+01 1.94699499e-02-6.82750014e-06 1.07773311e-09-6.32519099e-14 2 -1.23570939e+04-6.63491602e+01 3.54378349e+00 5.25201369e-02-3.69898493e-05 3 1.44634925e-08-2.47536050e-12-6.98183185e+03 1.27623539e+01 4 ic4h8o 9/ 1/12 c 4h 8o 1 0g 300.000 5000.000 1394.000 21 1.40433578e+01 2.05733637e-02-9.09519220e-06 1.73417298e-09-1.14908544e-13 2 -3.62275308e+04-6.90009668e+01-5.02573822e+00 7.51340960e-02-6.88668822e-05 3 3.12223247e-08-5.60128818e-12-3.07481413e+04 2.96284295e+01 4 cc4h8o 9/ 1/12 c 4h 8o 1 0g 300.000 5000.000 1431.000 11 1.51841776e+01 1.64656666e-02-5.33483091e-06 7.98149768e-10-4.51160381e-14 2 -3.33923434e+04-7.43746988e+01-6.56746688e+00 7.87298554e-02-7.33065478e-05 3 3.40602701e-08-6.15674656e-12-2.71582518e+04 3.80875851e+01 4 tc4h9o t08/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.27371509e+01 2.33707342e-02-8.50516678e-06 1.38519973e-09-8.34398061e-14 2 -1.66940150e+04-4.53156321e+01 2.77057100e+00 2.68033175e-02 4.12718360e-05 3 -7.22054739e-08 3.02642276e-11-1.27079262e+04 1.21532856e+01-1.04543262e+04 4 ic4h9o a08/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.16309708e+01 2.47981574e-02-9.01550536e-06 1.46714720e-09-8.83214518e-14 2 -1.37854612e+04-3.81956151e+01 3.80297372e+00 1.56874209e-02 6.81105412e-05 3 -9.83346774e-08 3.95261902e-11-1.00832243e+04 9.78963305e+00-7.82602559e+03 4 ic4h9o2h 9/ 1/12 c 4h 10o 2 0g 300.000 5000.000 1402.000 51 1.91651624e+01 1.93678648e-02-6.41984435e-06 9.76947752e-10-5.59299558e-14 2 -3.48790978e+04-7.42063787e+01-5.47969191e-01 6.57428787e-02-4.70123149e-05 3 1.65991096e-08-2.27331437e-12-2.82180462e+04 3.12961385e+01 4 tc4h9o2h 9/ 1/12 c 4h 10o 2 0g 300.000 5000.000 1382.000 51 1.90926853e+01 2.12697804e-02-7.46252626e-06 1.17841127e-09-6.91795087e-14 2 -3.77278405e+04-7.61321196e+01 4.45573540e-01 6.66153523e-02-5.20932123e-05 3 2.22301799e-08-4.00189859e-12-3.12260714e+04 2.37278262e+01 4 ic4h7o 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1386.000 21 1.33457615e+01 1.61218588e-02-5.44376403e-06 8.38199374e-10-4.83608280e-14 2 6.11443644e+02-4.36818838e+01 1.74700687e+00 4.07783436e-02-2.44750243e-05 3 7.06502958e-09-7.51570589e-13 4.86979233e+03 1.94535999e+01 4 ic4h8oh 2/14/95 thermc 4h 9o 1 0g 300.000 5000.000 1376.000 41 1.25605997e+01 2.10637488e-02-7.15019648e-06 1.10439262e-09-6.38428695e-14 2 -1.86203249e+04-3.67889430e+01 3.29612707e+00 3.47649647e-02-1.02505618e-05 3 -2.04641931e-09 1.18879408e-12-1.45627247e+04 1.58606320e+01 4 io2c4h8oh 8/23/95 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 51 1.79798208e+01 2.13452115e-02-7.29108198e-06 1.13068846e-09-6.55402236e-14 2 -3.85769917e+04-6.23553522e+01 2.88826008e+00 5.80363124e-02-4.26690874e-05 3 1.71759332e-08-2.91842186e-12-3.33881503e+04 1.83381149e+01 4 ic3h7cho 2/22/96 thermc 4h 8o 1 0g 300.000 5000.000 1391.000 31 1.37501656e+01 1.83126722e-02-6.28572629e-06 9.78250756e-10-5.68538653e-14 2 -3.26936771e+04-4.77270548e+01-2.73021382e-01 4.89696307e-02-3.12770049e-05 3 1.00052945e-08-1.27512074e-12-2.76054737e+04 2.83451139e+01 4 tc3h6cho 2/22/96 thermc 4h 7o 1 0g 300.000 5000.000 1389.000 21 1.31013047e+01 1.66391865e-02-5.68457623e-06 8.81808351e-10-5.11290161e-14 2 -1.30638647e+04-4.42705813e+01 1.87052762e+00 4.14869677e-02-2.66815701e-05 3 9.01531610e-09-1.27870633e-12-8.97730744e+03 1.66174178e+01 4 ic3h6cho 2/22/96 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.33102250e+01 1.62097959e-02-5.57575891e-06 8.69003718e-10-5.05554202e-14 2 -7.62177931e+03-4.25050854e+01 5.21481767e-01 4.43114357e-02-2.86617314e-05 3 9.30319894e-09-1.20761563e-12-2.99677086e+03 2.68182130e+01 4 ic3h7co 2/22/96 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.33305736e+01 1.61873930e-02-5.56711402e-06 8.67575951e-10-5.04696549e-14 2 -1.37307001e+04-4.33958746e+01 5.03452639e-01 4.41607510e-02-2.82139091e-05 3 8.93548675e-09-1.11327422e-12-9.07755468e+03 2.61991461e+01 4 ic4h8ooh-io2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1367.000 61 2.24664901e+01 2.09351287e-02-7.44324128e-06 1.18589255e-09-7.00546897e-14 2 -2.94495457e+04-8.54241451e+01 4.23354857e+00 5.63088857e-02-3.15672522e-05 3 7.79536931e-09-6.21665008e-13-2.22782534e+04 1.52623111e+01 4 ic4h8ooh-to2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1385.000 61 2.32464612e+01 1.88384513e-02-6.40938087e-06 9.92649459e-10-5.75275879e-14 2 -3.16533132e+04-8.88301710e+01 3.36413530e+00 6.93742776e-02-5.70416393e-05 3 2.46040165e-08-4.32848680e-12-2.51137558e+04 1.65767339e+01 4 tc4h8ooh-io2 9/ 1/12 c 4h 9o 4 0g 300.000 5000.000 1385.000 61 2.32464612e+01 1.88384513e-02-6.40938087e-06 9.92649459e-10-5.75275879e-14 2 -3.16533132e+04-8.88301710e+01 3.36413530e+00 6.93742776e-02-5.70416393e-05 3 2.46040165e-08-4.32848680e-12-2.51137558e+04 1.65767339e+01 4 ic4ketii 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1387.000 51 1.95143059e+01 1.82377395e-02-6.38908606e-06 1.00801571e-09-5.91440350e-14 2 -4.46884836e+04-7.17167584e+01 1.15501614e+00 6.10622345e-02-4.49711323e-05 3 1.70514654e-08-2.65948602e-12-3.82747956e+04 2.69612235e+01 4 ic4ketit 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1388.000 51 2.09369850e+01 1.71090955e-02-6.01892169e-06 9.52353863e-10-5.59926176e-14 2 -4.77819819e+04-8.27717611e+01 1.14243741e+00 6.33840797e-02-4.73084738e-05 3 1.77145373e-08-2.67265475e-12-4.09366796e+04 2.34844867e+01 4 ic4h7oh 4/ 8/97 thermc 4h 8o 1 0g 300.000 5000.000 1384.000 31 1.35043419e+01 1.78646968e-02-5.99304371e-06 9.18717641e-10-5.28435302e-14 2 -2.58255688e+04-4.44645715e+01 1.69099899e+00 4.27168891e-02-2.49281695e-05 3 7.00961522e-09-7.23262828e-13-2.14512334e+04 1.99500833e+01 4 ic4h6oh 8/19/95 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.40310926e+01 1.55317541e-02-5.32754961e-06 8.28785902e-10-4.81545257e-14 2 -7.69378228e+03-4.76555306e+01 8.63371227e-01 4.68711282e-02-3.43580339e-05 3 1.33031052e-08-2.13914975e-12-3.14948305e+03 2.29075523e+01 4 ic3h5cho 7/19/95 thermc 4h 6o 1 0g 300.000 5000.000 1396.000 21 1.36203958e+01 1.37917192e-02-4.73370118e-06 7.36655226e-10-4.20097974e-14 2 -2.00025274e+04-4.73184531e+01 6.27183793e-01 4.66780254e-02-3.74430631e-05 3 1.58330542e-08-2.73952155e-12-1.57203117e+04 2.16034294e+01 4 ic3h5co 4/ 3/ 0 thermc 4h 5o 1 0g 300.000 5000.000 1397.000 21 1.30667437e+01 1.16704244e-02-3.99106523e-06 6.19498148e-10-3.59348249e-14 2 -3.36519344e+03-4.35803090e+01 1.85097069e+00 4.18855846e-02-3.62553731e-05 3 1.65690659e-08-3.05850846e-12 1.70381441e+02 1.53014433e+01 4 ic4h7ooh 7/19/95 thermc 4h 8o 2 0g 300.000 5000.000 1392.00 41 1.69234564e+01 1.78396769e-02-6.14273279e-06 9.57895028e-10-5.57438304e-14 2 -2.00040686e+04-5.94746070e+01 2.99117402e+00 5.03349278e-02-3.56280061e-05 3 1.33952154e-08-2.11053409e-12-1.51095046e+04 1.54537413e+01 4 ic3h6co 03/03/95 thermc 4h 6o 1 0g 300.000 5000.000 1397.00 41 1.32548232e+01 1.40142787e-02-4.78910215e-06 7.42924342e-10-4.30737566e-14 2 -2.00529779e+04-4.44810221e+01 2.28039055e+00 4.17016989e-02-3.25089661e-05 3 1.37243419e-08-2.40573132e-12-1.63939712e+04 1.38187714e+01 4 tc3h6ocho 8/25/95 thermc 4h 7o 2 0g 300.000 5000.000 1394.00 31 1.70371287e+01 1.54400645e-02-5.28332886e-06 8.21085347e-10-4.76898429e-14 2 -2.75871941e+04-6.37271230e+01 3.70830259e-01 5.38475661e-02-3.82477565e-05 3 1.32882237e-08-1.79228730e-12-2.18391262e+04 2.58142112e+01 4 tc3h6ohcho 8/ 1/95 thermc 4h 8o 2 0g 300.000 5000.000 1396.00 41 1.70788996e+01 1.74005554e-02-5.93008112e-06 9.18860909e-10-5.32512140e-14 2 -5.38730427e+04-6.38638754e+01 2.10033500e-01 5.63086284e-02-3.95158669e-05 3 1.37780428e-08-1.89068805e-12-4.80402638e+04 2.67836070e+01 4 c3h6oh2-1 8/ 9/ 4 thermc 3h 7o 1 0g 300.000 5000.000 1392.000 31 1.12222277e+01 1.36444398e-02-4.51406709e-06 7.10523275e-10-4.22690392e-14 2 -1.75350136e+04-3.18911926e+01 1.09670360e+00 3.80727565e-02-2.75022497e-05 3 1.07477493e-08-1.74895773e-12-1.40764487e+04 2.22475799e+01 4 ic3h5oh 8/ 1/95 thermc 3h 6o 1 0g 300.000 5000.000 1374.00 21 1.07381025e+01 1.31698194e-02-4.41529622e-06 6.77009837e-10-3.89608901e-14 2 -2.47298321e+04-3.13634050e+01 1.58376391e+00 3.16215366e-02-1.73664942e-05 3 4.18927663e-09-2.79899620e-13-2.12643496e+04 1.88313766e+01 4 tc3h6o2cho 8/ 2/95 thermc 4h 7o 3 0g 300.000 5000.000 1386.00 41 1.85534443e+01 1.68774389e-02-5.90752965e-06 9.31518085e-10-5.46345187e-14 2 -2.85447191e+04-6.82486667e+01 2.17883383e+00 5.41595832e-02-3.83435886e-05 3 1.38308104e-08-2.04190147e-12-2.27394154e+04 2.00751264e+01 4 tc3h6o2hco 8/ 2/95 thermc 4h 7o 3 0g 300.000 5000.000 1387.00 51 2.06472678e+01 1.48526500e-02-5.25104875e-06 8.33619219e-10-4.91256069e-14 2 -2.88719869e+04-7.95951389e+01 2.03864428e+00 5.80421003e-02-4.32123528e-05 3 1.58792094e-08-2.32209543e-12-2.24284673e+04 2.03680990e+01 4 ic3h5o2hcho 8/2/95 thermc 4h 7o 3 0g 300.000 5000.000 1387.00 51 2.06288832e+01 1.48625539e-02-5.25305276e-06 8.33772951e-10-4.91277401e-14 2 -2.27589076e+04-7.82962888e+01 2.05984770e+00 5.82331716e-02-4.37672100e-05 3 1.63249918e-08-2.43462051e-12-1.63496250e+04 2.13687921e+01 4 ch2cch2oh 9/ 8/95 thermc 3h 5o 1 0g 300.000 5000.000 1372.00 21 9.70702027e+00 1.13972660e-02-3.77993962e-06 5.75209277e-10-3.29229125e-14 2 9.13212884e+03-2.25012933e+01 2.88422544e+00 2.42428071e-02-1.14152268e-05 3 1.71775334e-09 1.42177454e-13 1.17935615e+04 1.52102335e+01 4 tc4h8cho 9/ 7/95 thermc 5h 9o 1 0g 300.000 5000.000 1397.00 41 1.79663933e+01 1.94207117e-02-6.67409451e-06 1.03969221e-09-6.04702651e-14 2 -1.33368585e+04-6.79819424e+01-9.58078294e-01 6.42003258e-02-4.70776827e-05 3 1.75737698e-08-2.64896151e-12-6.86582501e+03 3.33781112e+01 4 o2c4h8cho 9/ 7/95 thermc 5h 9o 3 0g 300.000 5000.000 1395.00 51 2.12629904e+01 2.14072282e-02-7.38342949e-06 1.15281523e-09-6.71508438e-14 2 -3.16854524e+04-7.99828703e+01 1.91847699e+00 6.67245869e-02-4.80871046e-05 3 1.78588690e-08-2.71163880e-12-2.49837984e+04 2.38577867e+01 4 o2hc4h8co 9/ 7/95 thermc 5h 9o 3 0g 300.000 5000.000 1394.00 61 2.38219630e+01 1.91411448e-02-6.67919154e-06 1.05127303e-09-6.15876805e-14 2 -3.23093973e+04-9.42580755e+01 1.82607262e+00 6.93466111e-02-4.93125140e-05 3 1.69848340e-08-2.26117657e-12-2.46578311e+04 2.41167544e+01 4 c3h5oh t06/10c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 8.72477114e+00 1.63942712e-02-5.90852993e-06 9.53262253e-10-5.70318010e-14 2 -1.90496618e+04-1.97198674e+01 3.15011905e+00 1.28538274e-02 4.28438434e-05 3 -6.67818707e-08 2.80408237e-11-1.66413668e+04 1.35066359e+01-1.48710589e+04 4 tic4h7q2-i 5/ 6/96 thermc 4h 9o 4 0g 300.000 5000.000 1400.000 71 2.33848631e+01 1.87070035e-02-6.44021945e-06 1.00428123e-09-5.84468189e-14 2 -2.61180902e+04-8.76610135e+01 4.48426361e+00 6.61225007e-02-5.27349018e-05 3 2.18215585e-08-3.66788946e-12-1.98906586e+04 1.26719614e+01 4 iic4h7q2-i 7/15/96 thermc 4h 9o 4 0g 300.000 5000.000 1394.000 71 2.30500244e+01 1.92149194e-02-6.66622576e-06 1.04495725e-09-6.10370520e-14 2 -2.32086881e+04-8.39949885e+01 4.93055661e+00 6.05819201e-02-4.23665566e-05 3 1.49122008e-08-2.10978665e-12-1.68415495e+04 1.36228018e+01 4 iic4h7q2-t 7/15/96 thermc 4h 9o 4 0g 300.000 5000.000 1377.000 71 2.15070321e+01 2.05359839e-02-7.12383399e-06 1.11655053e-09-6.52112103e-14 2 -2.51117508e+04-7.43379783e+01 8.16274487e+00 4.34463050e-02-1.76972456e-05 3 4.88790666e-10 9.03915465e-13-1.96501749e+04 2.62067299e-01 4 iic4h7q2-t 7/15/96 thermc 4h 9o 4 0g 300.000 5000.000 1377.000 71 1.59247008e+01 2.59703101e-02-8.86821278e-06 1.37514707e-09-7.97105419e-14 2 -2.60824218e+04-6.16997349e+01-1.67881131e+00 6.41231428e-02-3.96458285e-05 3 1.23445155e-08-1.53325385e-12-1.96474971e+04 3.39348804e+01 4 c5h11-1 8/26/12 c 5h 11 0 0g 300.000 5000.000 1388.000 41 1.53651225e+01 2.42905756e-02-8.37500700e-06 1.30708059e-09-7.61062254e-14 2 -7.96984064e+02-5.51456602e+01-3.28518887e-01 5.73740687e-02-3.45622570e-05 3 1.06550981e-08-1.36182967e-12 5.11009538e+03 3.05737882e+01 4 c5h11-2 8/26/12 c 5h 11 0 0g 300.000 5000.000 1389.000 41 1.49269509e+01 2.45505750e-02-8.44033262e-06 1.31477729e-09-7.64544033e-14 2 -2.25446647e+03-5.23093796e+01-7.43804386e-01 5.63967863e-02-3.17173658e-05 3 8.41850668e-09-7.99507437e-13 3.72139256e+03 3.36368332e+01 4 c5h11-3 8/26/12 c 5h 11 0 0g 300.000 5000.000 1389.000 41 1.49269509e+01 2.45505750e-02-8.44033262e-06 1.31477729e-09-7.64544033e-14 2 -2.25446647e+03-5.29988612e+01-7.43804386e-01 5.63967863e-02-3.17173658e-05 3 8.41850668e-09-7.99507437e-13 3.72139256e+03 3.29473516e+01 4 c5h81-3 3/27/97 thermc 5h 8 0 0g 300.000 5000.000 1396.000 21 1.45574490e+01 1.80939266e-02-6.21671892e-06 9.67920254e-10-5.62629326e-14 2 1.22365462e+03-5.43889766e+01-2.32617433e+00 6.38696042e-02-5.57052591e-05 3 2.58049480e-08-4.83405924e-12 6.55183321e+03 3.42036513e+01 4 c5h10-1 9/ 1/12 c 5h 10 0 0g 300.000 5000.000 1396.000 31 1.44098998e+01 2.26138537e-02-7.71567509e-06 1.19571228e-09-6.92789930e-14 2 -1.00010574e+04-5.15399538e+01-9.44396392e-01 5.68704795e-02-3.67439266e-05 3 1.23594281e-08-1.71986028e-12-4.47154633e+03 3.15526141e+01 4 c5h10-2 9/ 1/12 c 5h 10 0 0g 300.000 5000.000 1381.000 31 1.48004285e+01 2.15871016e-02-7.22534430e-06 1.10633856e-09-6.35966142e-14 2 -1.14865265e+04-5.41488445e+01-4.91448676e-01 5.36242483e-02-3.12810279e-05 3 8.57199815e-09-8.15860099e-13-5.83215050e+03 2.92454905e+01 4 1c5h91-3 9/ 1/12 c 5h 9 0 0g 300.000 5000.000 1396.000 21 1.40081960e+01 2.09267063e-02-7.15528659e-06 1.11053358e-09-6.44135476e-14 2 -3.32164559e+04-5.06056620e+01-1.23771006e+00 5.51220954e-02-3.61914162e-05 3 1.22436788e-08-1.69512209e-12-2.77634901e+04 3.18040307e+01 4 c5h91-4 9/ 1/12 c 5h 9 0 0g 300.000 5000.000 1397.000 31 1.30317995e+01 2.11397063e-02-7.18541324e-06 1.11064457e-09-6.42317673e-14 2 1.37969452e+04-4.07010872e+01 4.34968883e-02 4.89527215e-02-2.92918964e-05 3 8.84634229e-09-1.06552108e-12 1.85915504e+04 3.00013194e+01 4 c5h9-5 9/ 1/12 c 5h 9 0 0g 300.000 5000.000 1400.000 31 1.37204827e+01 2.04896858e-02-6.94613752e-06 1.07167586e-09-6.18955756e-14 2 1.53444932e+04-4.46188067e+01-1.94334279e-01 5.36496542e-02-3.77721740e-05 3 1.43750586e-08-2.29911391e-12 2.01539066e+04 2.99493171e+01 4 c5h92-4 9/ 1/12 c 5h 9 0 0g 300.000 5000.000 1378.000 21 1.44533170e+01 1.98353685e-02-6.64108103e-06 1.01744524e-09-5.85206316e-14 2 -3.47319959e+04-5.35393323e+01-7.78565840e-01 5.18142979e-02-3.05970173e-05 3 8.36378780e-09-7.70804084e-13-2.91241940e+04 2.94748899e+01 4 c5h92-5 9/ 1/12 c 5h 9 0 0g 300.000 5000.000 1384.000 31 1.42281934e+01 1.93212317e-02-6.40142673e-06 9.73523527e-10-5.56986931e-14 2 1.38021278e+04-4.79074581e+01 2.10752536e-01 5.05823175e-02-3.24762808e-05 3 1.06441294e-08-1.40196726e-12 1.88009879e+04 2.78735182e+01 4 c5h9o1-3 4/ 7/97 thermc 5h 9o 1 0g 300.000 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 c6h10 4/12/13 thermc 6h 10 0 0g 300.000 5000.000 1413.000 21 1.60456030e+01 2.34774145e-02-7.85797929e-06 1.20200542e-09-6.90100029e-14 2 2.11899382e+03-5.88452460e+01-1.01375402e+00 6.38242808e-02-4.40653860e-05 3 1.58295163e-08-2.30830701e-12 7.94033696e+03 3.25056094e+01 4 c6h9-t 12/ 5/12 thermc 6h 9 0 0g 300.000 5000.000 1399.000 21 1.54942945e+01 2.20330442e-02-7.49571333e-06 1.15926130e-09-6.70685889e-14 2 3.08542766e+04-5.24245446e+01-4.64746975e-01 6.09216456e-02-4.47292952e-05 3 1.77756829e-08-2.95693412e-12 3.62924888e+04 3.28081912e+01 4 c6h9-s 12/ 5/12 thermc 6h 9 0 0g 300.000 5000.000 1396.000 31 1.62958005e+01 2.11783659e-02-7.25674435e-06 1.12780699e-09-6.54746480e-14 2 3.20417675e+04-5.73406449e+01-6.12878674e-01 6.32013662e-02-4.85579869e-05 3 2.01072289e-08-3.46242218e-12 3.77343371e+04 3.26952798e+01 4 c6h9-a 12/ 5/12 thermc 6h 9 0 0g 300.000 5000.000 1400.000 21 1.70842767e+01 2.08842788e-02-7.14529004e-06 1.10943563e-09-6.43676989e-14 2 2.01040204e+04-6.39326012e+01-2.66715213e+00 7.26196475e-02-6.05323920e-05 3 2.66000571e-08-4.74613408e-12 2.64415017e+04 4.02220332e+01 4 c6h9o-2 12/ 5/12 thermc 6h 9o 1 0g 300.000 5000.000 1381.000 41 1.99353187e+01 2.10902650e-02-7.42714919e-06 1.17580440e-09-6.91504434e-14 2 7.67409302e+03-7.62069031e+01-7.85602487e-02 6.81070170e-02-5.11911414e-05 3 2.04828658e-08-3.45141659e-12 1.47423639e+04 3.14323712e+01 4 c6h6 g 6/01c 6h 6 0 0g 200.000 6000.000 1000.000 1 1.10809576e+01 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 c6h5ch3 l 6/87c 7h 8 0 0g 200.000 6000.000 1000. 1 0.12940034e+02 0.26691287e-01-0.96838505e-05 0.15738629e-08-0.94663601e-13 2 -0.69764908e+03-0.46728785e+02 0.16152663e+01 0.21099438e-01 0.85366018e-04 3 -0.13261066e-06 0.55956604e-10 0.40756300e+04 0.20282210e+02 0.60135835e+04 4 c6h5ch2 iu3/03c 7.h 7. 0. 0.g 250.000 6000.000 1000. 1 0.14723052e+02 0.23034244e-01-0.84847359e-05 0.13916962e-08-0.84247967e-13 2 0.17990189e+05-0.55950989e+02-0.12303836e+01 0.48986376e-01 0.13815518e-04 3 -0.62587233e-07 0.31595731e-10 0.23192877e+05 0.30555495e+02 0.25016622e+05 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 6h 5 0 0g 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 d11/99c 4h 2 0 0g 300.000 3000.000 1 0.91576328e+01 0.55430518e-02-0.13591604e-05 0.18780075e-10 0.23189536e-13 2 0.52588039e+05-0.23711460e+02 0.10543978e+01 0.41626960e-01-0.65871784e-04 3 0.53257075e-07-0.16683162e-10 0.54185211e+05 0.14866591e+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 12/ 6/13 thermc 4h 5o 1 0g 300.000 5000.000 1396.000 11 1.21043198e+01 1.28210886e-02-4.36704943e-06 6.75949572e-10-3.91295106e-14 2 -1.86544623e+03-3.77298604e+01 1.78215470e+00 3.99251915e-02-3.27534130e-05 3 1.45472667e-08-2.65454288e-12 1.47887943e+03 1.67433588e+01 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 12/ 6/13 thermc 4h 5 0 0g 300.000 5000.000 2021.000 21 8.67673333e+00 1.42789766e-02-5.26476298e-06 8.62021059e-10-5.19571720e-14 2 3.21729573e+04-2.14573334e+01 2.74016965e+00 2.31992086e-02-7.25585511e-06 3 -1.04665455e-09 6.55179692e-13 3.46243943e+04 1.20689663e+01 4 c4h6-2 12/ 6/13 thermc 4h 6 0 0g 300.000 5000.000 1525.000 21 1.17580664e+01 1.36774582e-02-4.88993888e-06 7.81986154e-10-4.63144942e-14 2 1.13714894e+04-4.11767591e+01 2.34411768e+00 2.27019178e-02 2.71441556e-06 3 -1.01525890e-08 3.05010094e-12 1.59213397e+04 1.39603990e+01 4 c4h6o23 t 3/97c 4h 6o 1 0g 200.000 5000.000 1000.0 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.32392815e+04-2.32464750e+01 2.67053463e+00 4.92586420e-03 8.86967406e-05 3 -1.26219194e-07 5.23991321e-11-1.02787872e+04 1.45722395e+01-1.30831522e+04 4 ch3chchcho t 5/92c 4h 6o 1 0g 298.150 3000.0 1000.0 1 1.98794540e+01-2.09130550e-02 4.45360508e-05-2.60374870e-08 4.86836120e-12 2 -1.95278768e+04-6.87200320e+01-1.55577660e+00 4.09640630e-02-1.69868810e-05 3 -6.00928140e-18 2.31368530e-21-1.41394920e+04 3.74707580e+01-1.29340710e+04 4 c4h4o t03/97c 4h 4o 1 0g 200.000 6000.0 1000.0 1 9.38935003e+00 1.40291241e-02-5.07755110e-06 8.24137332e-10-4.95319963e-14 2 -8.68241814e+03-2.79162920e+01 8.47469463e-01 1.31773796e-02 5.99735901e-05 3 -9.71562904e-08 4.22733796e-11-5.36785445e+03 2.14945172e+01-4.17166616e+03 4 h2cc l12/89h 2c 2 0 0g 200.000 6000.000 1000.000 1 0.42780340e+01 0.47562804e-02-0.16301009e-05 0.25462806e-09-0.14886379e-13 2 0.48316688e+05 0.64023701e+00 0.32815483e+01 0.69764791e-02-0.23855244e-05 3 -0.12104432e-08 0.98189545e-12 0.48621794e+05 0.59203910e+01 0.49887266e+05 4 h2c4o 120189h 2c 4o 1 g 0300.00 4000.00 1000.00 1 0.01026888e+03 0.04896164e-01-0.04885081e-05-0.02708566e-08 0.05107013e-12 2 0.02346903e+06-0.02815985e+03 0.04810971e+02 0.01313999e+00 0.09865073e-05 3 -0.06120720e-07 0.01640003e-10 0.02545803e+06 0.02113424e+02 4 c6h2 p 1/93c 6h 2 0 0g 300.000 3000.00 1000.00 1 0.13226281e+02 0.73904302e-02-0.22715381e-05 0.25875217e-09-0.55356741e-14 2 0.80565258e+05-0.41201176e+02-0.15932624e+01 0.80530145e-01-0.14800649e-03 3 0.13300031e-06-0.45332313e-10 0.83273227e+05 0.27980873e+02 4 c6h3 h6w/94c 6h 3 0 0g 300.000 3000.00 1000.00 1 0.58188343e+01 0.27933408e-01-0.17825427e-04 0.53702536e-08-0.61707627e-12 2 0.85188250e+05-0.92147827e+00 0.11790619e+01 0.55547360e-01-0.73076168e-04 3 0.52076736e-07-0.15046964e-10 0.85647312e+05 0.19179199e+02 4 l-c6h4 h6w/94c 6h 4 0 0g 300.000 3000.00 1000.00 1 0.12715182e+02 0.13839662e-01-0.43765440e-05 0.31541636e-09 0.46619026e-13 2 0.57031148e+05-0.39464600e+02 0.29590225e+00 0.58053318e-01-0.67766756e-04 3 0.43376762e-07-0.11418864e-10 0.60001371e+05 0.22318970e+02 4 c-c6h4 h6w/94c 6h 4 0 0g 300.000 3000.00 1000.00 1 0.13849209e+02 0.78807920e-02 0.18243836e-05-0.21169166e-08 0.37459977e-12 2 0.47446340e+05-0.50404953e+02-0.30991268e+01 0.54030564e-01-0.40839004e-04 3 0.10738837e-07 0.98078490e-12 0.52205711e+05 0.37415207e+02 4 c6h5oh l 4/84c 6h 6o 1 0g 300.000 5000.000 1000. 1 0.14912073e+02 0.18378135e-01-0.61983128e-05 0.91983221e-09-0.49209565e-13 2 -0.18375199e+05-0.55924103e+02-0.16956539e+01 0.52271299e-01-0.72024050e-05 3 -0.35859603e-07 0.20449073e-10-0.13284121e+05 0.32542160e+02-0.11594207e+05 4 c6h5o t05/02c 6h 5o 1 0g 200.000 6000.000 1000. 1 1.37221720e+01 1.74688771e-02-6.35504520e-06 1.03492308e-09-6.23410504e-14 2 2.87274751e+02-4.88181680e+01-4.66204455e-01 4.13443975e-02 1.32412991e-05 3 -5.72872769e-08 2.89763707e-11 4.77858391e+03 2.76990274e+01 6.49467016e+03 4 p-c6h4o2 ak0405c 6h 4o 2 0g 270.000 3000.000 1370.00 1 1.23423732e+01 2.40612690e-02-1.16565184e-05 2.71393504e-09-2.47643065e-13 2 -2.06185312e+04-4.08244024e+01-2.43170113e+00 6.87937608e-02-6.41382837e-05 3 3.08126855e-08-5.99832072e-12-1.65696994e+04 3.48309430e+01 4 p-c6h3o2 ak0505c 6h 3o 2 0g 270.000 3000.000 1290.00 1 1.22963699e+01 2.15055142e-02-1.07516136e-05 2.57528163e-09-2.41023652e-13 2 1.15428998e+04-3.72584002e+01-1.57852347e+00 6.55376473e-02-6.50308721e-05 3 3.32026554e-08-6.86665555e-12 1.51750093e+04 3.31518638e+01 4 o-c6h4o2 ak0405c 6h 4o 2 0g 270.000 3000.000 1370.00 1 1.23614349e+01 2.40491397e-02-1.16529057e-05 2.71332785e-09-2.47593219e-13 2 -1.67079717e+04-4.00310857e+01-2.36179712e+00 6.86058343e-02-6.39129516e-05 3 3.06903009e-08-5.97357785e-12-1.26704431e+04 3.53724482e+01 4 c5h5 tak0505c 5h 5 0 0g 298.150 3500.000 969.35 1 1.33675715e+00 3.24793912e-02-1.67587774e-05 4.03514137e-09-3.70739036e-13 2 3.00730524e+04 1.60315806e+01-3.97555452e+00 7.41370991e-02-1.11803345e-04 3 9.04628776e-08-2.80999747e-11 3.01769405e+04 3.67153636e+01 4 c5h6 t 1/90c 5h 6 0 0g 200.000 6000.000 1000. 1 0.99757848e+01 0.18905543e-01-0.68411461e-05 0.11099340e-08-0.66680236e-13 2 0.11081693e+05-0.32209454e+02 0.86108957e+00 0.14804031e-01 0.72108895e-04 3 -0.11338055e-06 0.48689972e-10 0.14801755e+05 0.21353453e+02 0.16152485e+05 4 c5h5oh 5/ 2/91 the.mc 5h 6o 1 0g 300.000 5000.000 1398.000 11 1.53433477e+01 1.50754059e-02-5.13553582e-06 7.95807816e-10-4.61311517e-14 2 -1.19645453e+04-5.85204430e+01-4.26822012e+00 6.62446749e-02-5.68494038e-05 3 2.46858526e-08-4.26820696e-12-5.75581338e+03 4.47962850e+01 4 c5h4o t 8/99c 5h 4o 1 0g 200.000 6000.000 1000. 1 1.00806824e+01 1.61143465e-02-5.83314509e-06 9.46759320e-10-5.68972206e-14 2 1.94364771e+03-2.94521623e+01 2.64576497e-01 3.34873827e-02 1.67738470e-06 3 -2.96207455e-08 1.54431476e-11 5.11159287e+03 2.35409513e+01 6.64245999e+03 4 c5h5o 5/16/90 thermc 5h 5o 1 0g 300.000 5000.000 1392.000 01 1.48322894e+01 1.40483376e-02-4.92302051e-06 7.77041219e-10-4.56103939e-14 2 1.45523665e+04-5.73228191e+01-2.83112840e+00 5.67277287e-02-4.44757303e-05 3 1.74924447e-08-2.76004847e-12 2.04992154e+04 3.69634411e+01 4 c5h4oh t 8/99c 5h 5o 1 0g 200.000 6000.000 1000. 1 1.33741248e+01 1.51996469e-02-5.45685046e-06 8.80944866e-10-5.27493258e-14 2 2.20358027e+03-4.59569069e+01-1.28398054e+00 4.90298511e-02-1.35844414e-05 3 -2.92983743e-08 1.90820619e-11 6.37364803e+03 3.08073591e+01 8.00114499e+03 4 c6h5oo 3/26/ 9 thermc 6h 5o 2 0g 300.000 5000.000 1403.000 11 1.67078262e+01 1.62326229e-02-5.47969630e-06 8.43510060e-10-4.86562431e-14 2 8.14242915e+03-6.08346973e+01-2.99164672e+00 7.03857150e-02-6.34400574e-05 3 2.91548920e-08-5.30706938e-12 1.41320240e+04 4.20142955e+01 4 c6h5ooh 3/26/ 9 thermc 6h 6o 2 0g 300.000 5000.000 1404.000 21 1.92317474e+01 1.63154699e-02-5.53448904e-06 8.55059974e-10-4.94583790e-14 2 -1.01971012e+04-7.61674471e+01-4.03105975e+00 7.96101888e-02-7.21655013e-05 3 3.27610696e-08-5.85584239e-12-3.10973017e+03 4.54324978e+01 4 c6h4oh 4/ 9/ 9 thermc 6h 5o 1 0g 300.000 5000.000 1402.000 11 1.73187560e+01 1.36366984e-02-4.68316332e-06 7.29071204e-10-4.23805358e-14 2 1.14990276e+04-6.89986593e+01-5.99875435e+00 8.59063379e-02-9.12525636e-05 3 4.72275890e-08-9.35576749e-12 1.78621926e+04 4.99931427e+01 4 hoc6h4oh 4/ 9/ 9 thermc 6h 6o 2 0g 300.000 5000.000 1405.000 21 2.31394847e+01 1.31873680e-02-4.49072464e-06 6.95268891e-10-4.02643108e-14 2 -4.25885990e+04-1.02692352e+02-8.68529064e+00 1.17282933e-01-1.33754802e-04 3 7.16697462e-08-1.44385730e-11-3.44903827e+04 5.77087257e+01 4 oc6h4oh 4/ 9/ 9 thermc 6h 5o 2 0g 300.000 5000.000 1403.000 11 2.22718210e+01 1.21038561e-02-4.18429526e-06 6.54475399e-10-3.81746504e-14 2 -2.34827539e+04-9.61035467e+01-8.02205657e+00 1.09403210e-01-1.23489276e-04 3 6.56286805e-08-1.31527870e-11-1.55949156e+04 5.72175202e+01 4 p-oc6h5oj wkm c 6o 2h 5 0g 300.000 5000.000 1400.000 01 1.82799770e+01 1.59280974e-02-5.50765220e-06 8.61649836e-10-5.02677539e-14 2 -6.25907994e+01-7.25809444e+01-3.29683290e+00 7.27365977e-02-6.36158220e-05 3 2.80683553e-08-4.92279426e-12 6.73402222e+03 4.09349895e+01 4 o-oc6h5oj wkm c 6o 2h 5 0g 300.000 5000.000 1400.000 01 1.84625733e+01 1.57607263e-02-5.44671499e-06 8.51765760e-10-4.96759541e-14 2 -1.72770226e+02-7.28742484e+01-2.65459198e+00 7.17179095e-02-6.31552372e-05 3 2.81132946e-08-4.97463333e-12 6.45283150e+03 3.81123139e+01 4 c#cc*ccj glar c 5h 5 0 0g 300.000 5000.000 1396.000 11 1.41230912e+01 1.14233190e-02-3.95851276e-06 6.20128961e-10-3.62097887e-14 2 4.25158384e+04-5.02942871e+01-6.16143558e-01 5.06466579e-02-4.48561743e-05 3 2.02459419e-08-3.64542145e-12 4.71532377e+04 2.71623299e+01 4 c5h6-l 2/ 5/ 9 thermc 5h 6 0 0g 300.000 5000.000 1372.000 21 1.29600892e+01 1.48953758e-02-5.23622902e-06 8.27916389e-10-4.86464523e-14 2 2.38180800e+04-4.25312093e+01 3.58448213e+00 3.24459626e-02-1.70150991e-05 3 4.22715914e-09-4.18452556e-13 2.76514681e+04 9.60644208e+00 4 cj*cc*cc*o 2/ 5/ 9 thermc 5h 5o 1 0g 300.000 5000.000 1396.000 21 1.62360823e+01 1.18297101e-02-4.11454219e-06 6.46026823e-10-3.77767639e-14 2 1.93499885e+04-5.83498817e+01-5.06628841e-01 6.04671965e-02-5.97396749e-05 3 2.96804228e-08-5.76240010e-12 2.42765544e+04 2.82994148e+01 4 c*cc*ccj*o 2/ 5/ 9 thermc 5h 5o 1 0g 300.000 5000.000 1399.000 11 1.53178248e+01 1.27352911e-02-4.35882964e-06 6.76912763e-10-3.92771371e-14 2 7.60582726e+03-5.43599625e+01-2.18492198e-01 5.92100223e-02-5.89241174e-05 3 2.97411920e-08-5.85244770e-12 1.20600764e+04 2.55968530e+01 4 cj*cc*o 4/ 8/94 thermc 3h 3o 1 0g 300.000 5000.000 1402.000 11 1.07482537e+01 6.19822688e-03-2.06130981e-06 3.14418872e-10-1.80309517e-14 2 1.51410162e+04-3.01266033e+01 1.46654466e+00 3.23390476e-02-3.05588208e-05 3 1.44081861e-08-2.65600505e-12 1.78850058e+04 1.80850321e+01 4 c5h3o tak0905c 5h 3o 1 0g 300.000 3500.000 1500.00 1 1.19961781e+01 1.34287065e-02-5.90045309e-06 1.22553862e-09-9.86114716e-14 2 2.89592010e+04-4.07548249e+01-3.03242604e+00 5.43937201e-02-4.95018348e-05 3 2.25523751e-08-4.10727920e-12 3.35644081e+04 3.78374823e+01 4 c5h7 1/22/ 9 wkm c 5h 7 0 0g 300.000 5000.000 1377.000 31 1.36630213e+01 1.68061358e-02-5.98746539e-06 9.55341072e-10-5.64951981e-14 2 1.27238941e+04-5.46331286e+01-6.75118368e+00 6.06461693e-02-4.01260152e-05 3 1.22051562e-08-1.33459844e-12 2.01365277e+04 5.62694938e+01 4 oc5h7o 1/22/ 9 wkm c 5h 7o 2 0g 300.000 5000.000 1375.000 31 1.65416953e+01 1.86677673e-02-6.44836048e-06 1.00787611e-09-5.87521858e-14 2 -2.82017168e+04-5.47258181e+01 4.88394767e+00 4.03401300e-02-1.97774150e-05 3 3.68903501e-09-3.40202384e-14-2.35295942e+04 9.97070337e+00 4 c*ccjc*coh 10/6/95 z&b c 5h 7o 1 0g 300.000 5000.000 1397.000 31 1.67465815e+01 1.58357240e-02-5.44954706e-06 8.49881387e-10-4.94743246e-14 2 -4.30972870e+03-6.19378748e+01-2.91175436e+00 6.69362484e-02-5.71603047e-05 3 2.48753749e-08-4.33243894e-12 1.96441523e+03 4.17454344e+01 4 c*cc*ccj z&b c 5h 7 0 0g 300.000 5000.000 1386.000 21 1.47302883e+01 1.59030900e-02-5.57729508e-06 8.80604825e-10-5.16963733e-14 2 1.74050791e+04-5.42670706e+01-1.60087476e+00 5.38764703e-02-3.96302225e-05 3 1.49599474e-08-2.31995284e-12 2.31199746e+04 3.35492960e+01 4 c*cc*cc 3/1/95 z&b c 5h 8 0 0g 300.000 5000.000 1395.000 21 1.41303131e+01 1.81877961e-02-6.19208788e-06 9.58333792e-10-5.54785472e-14 2 2.25907168e+03-5.11705577e+01-1.19376866e+00 5.65474329e-02-4.39472481e-05 3 1.82341266e-08-3.12226566e-12 7.36084709e+03 3.02808980e+01 4 c*cc*ccoh 1/23/ 9 wkm c 5h 8o 1 0g 300.000 5000.000 1396.000 31 1.63079670e+01 1.79957763e-02-6.03115896e-06 9.23992259e-10-5.31254053e-14 2 -1.58204603e+04-5.84137244e+01-5.31488384e-01 6.06983915e-02-4.81499862e-05 3 2.00308244e-08-3.38987282e-12-1.03301302e+04 3.07961436e+01 4 c*ccjc*o z&b c 4h 5o 1 0g 300.000 5000.000 1385.000 11 1.22833215e+01 1.26428506e-02-4.31034879e-06 6.68415867e-10-3.87693974e-14 2 1.86818728e+03-3.84807909e+01-4.83886977e-01 4.23431670e-02-3.05389089e-05 3 1.11441978e-08-1.63863920e-12 6.28635090e+03 3.00860103e+01 4 oc4h6o 1/23/ 9 wkm c 4h 6o 2 0g 300.000 5000.000 1382.000 31 1.41894774e+01 1.53345510e-02-5.24594862e-06 8.14655154e-10-4.72759368e-14 2 -4.10001835e+04-4.43771751e+01 4.21628848e+00 3.57422725e-02-2.04226185e-05 3 5.63821367e-09-5.88888993e-13-3.72055911e+04 1.02814620e+01 4 oc4h5o 1/23/ 9 wkm c 4h 5o 2 0g 300.000 5000.000 1388.000 21 1.32138775e+01 1.37339051e-02-4.62639517e-06 7.10941370e-10-4.09538499e-14 2 -2.16535271e+04-3.64185255e+01 4.60550978e+00 3.30498712e-02-2.13102363e-05 3 7.37021089e-09-1.08289438e-12-1.85460831e+04 1.01599453e+01 4 hoc*cc*o 1/26/ 9 wkm c 3h 4o 2 0g 300.000 5000.000 1413.000 21 1.66505478e+01 6.11745137e-03-2.09080785e-06 3.24985683e-10-1.88875073e-14 2 -3.82179939e+04-6.36794754e+01-2.01837189e+00 6.26539783e-02-6.73359280e-05 3 3.39430425e-08-6.48917648e-12-3.31367523e+04 3.18162860e+01 4 hoc*ccj*o 1/26/ 9 wkm c 3h 3o 2 0g 300.000 5000.000 1414.000 11 1.52720985e+01 5.02586331e-03-1.68408578e-06 2.58390706e-10-1.48849424e-14 2 -1.98506828e+04-5.54641734e+01 6.07270082e-01 4.96011303e-02-5.32300885e-05 3 2.68392951e-08-5.13094510e-12-1.58814562e+04 1.94817133e+01 4 c2h2oh h 3c 2o 1 0g 300.00 5000.00 1000.00 1 6.81339897e+00 8.05827723e-03-3.11728612e-06 5.54590896e-10-3.71804255e-14 2 1.31583034e+04-1.09863525e+01 5.62397968e-01 2.64598620e-02-2.28453705e-05 3 9.14478695e-09-1.06711936e-12 1.48374643e+04 2.10439544e+01 4 o2cchooj z&b c 2h 1o 4 0g 300.000 5000.000 1682.000 01 1.09910849e+01 7.46985861e-03-2.75568271e-06 4.51353051e-10-2.72108652e-14 2 -3.51335323e+04-2.11652231e+01 8.91497688e+00 8.60571847e-03 5.24416766e-07 3 -2.79301331e-09 7.62963051e-13-3.40867754e+04-8.72978273e+00 4 hcoh mar94 c 1h 2o 1 0g 300. 5000. 1398. 1 9.18749272e+00 1.52011152e-03-6.27603516e-07 1.09727989e-10-6.89655128e-15 2 7.81364593e+03-2.73434214e+01-2.82157421e+00 3.57331702e-02-3.80861580e-05 3 1.86205951e-08-3.45957838e-12 1.12956672e+04 3.48487757e+01 4 c2h3oh 2/ 3/ 9 thermc 2h 4o 1 0g 300.000 5000.000 1410.000 11 8.32598158e+00 8.03387281e-03-2.63928405e-06 3.98410726e-10-2.26551155e-14 2 -1.83221436e+04-2.02080305e+01-1.27972260e-01 3.38506073e-02-3.30644935e-05 3 1.64858739e-08-3.19935455e-12-1.59914544e+04 2.30438601e+01 4 o2ch2cho boz_03c 2h 3o 3 0g 300.000 5000.000 1393.000 01 1.11807543e+01 9.14479256e-03-3.15089833e-06 4.91944238e-10-2.86639180e-14 2 -1.55790331e+04-2.87892740e+01-1.29465843e+00 4.44936393e-02-4.26577074e-05 3 2.07391950e-08-3.96828771e-12-1.18275628e+04 3.60778797e+01 4 ho2ch2co boz_03c 2h 3o 3 0g 300.000 5000.000 1386.000 01 1.04146322e+01 1.12680116e-02-5.17494839e-06 1.00333285e-09-6.68165911e-14 2 -1.40955672e+04-2.27894400e+01 2.22681686e+00 3.56781380e-02-3.26401909e-05 3 1.47651988e-08-2.64794380e-12-1.18735095e+04 1.91581197e+01 4 sc3h4oh 3/28/13 c 3h 5o 1 0g 300.000 5000.000 1407.000 21 1.20968484e+01 9.43976596e-03-3.10773897e-06 4.69609188e-10-2.67165710e-14 2 -3.85854894e+02-3.76795997e+01 1.72870561e+00 4.41015870e-02-4.72013860e-05 3 2.52073596e-08-5.13375710e-12 2.22720503e+03 1.43928257e+01 4 ch3chcho 12/ 1/99 thermc 3h 5o 1 0g 300.000 5000.000 1385.000 21 1.02647528e+01 1.17295061e-02-4.06267561e-06 6.36086751e-10-3.71220190e-14 2 -7.25910488e+03-2.91646638e+01 1.54196914e+00 3.03297391e-02-1.88922690e-05 3 5.92263358e-09-7.53762316e-13-4.01761098e+03 1.83707011e+01 4 ch2ch2cho 06/09/10 c 3h 5o 10 0g 300.00 4000.00 1000.00 1 0.38802774e+01 0.19560963e-01-0.65248419e-05 0.10275587e-08-0.62784000e-13 2 0.26971973e+03 0.10725105e+02 0.30829394e+00 0.42721864e-01-0.48484926e-04 3 0.31577844e-07-0.82415281e-11 0.24612408e+03 0.25079893e+02 4 pc3h4oh-2 4/ 2/13 thermc 3h 5o 1 0g 300.000 5000.000 1403.000 21 1.07164095e+01 1.06066461e-02-3.51374060e-06 5.33713932e-10-3.04901511e-14 2 4.98486803e+03-2.98329329e+01 1.42757363e+00 3.64825569e-02-3.18007132e-05 3 1.46914605e-08-2.72331227e-12 7.80342663e+03 1.85890339e+01 4 sc3h4oh-1 4/ 2/13 thermc 3h 5o 1 0g 300.000 5000.000 1410.000 21 1.25628085e+01 8.58651176e-03-2.72582845e-06 4.01908549e-10-2.24787697e-14 2 3.96526183e+03-4.16107625e+01 2.55744565e-01 4.74882684e-02-4.94984843e-05 3 2.53799319e-08-4.97487174e-12 7.19097870e+03 2.08288803e+01 4 ic3h5o 4/ 2/13 thermc 3h 5o 1 0g 300.000 5000.000 1397.000 21 1.23529178e+01 9.83087082e-03-3.37836468e-06 5.26074995e-10-3.05827836e-14 2 1.05079663e+03-4.24057711e+01 6.71872962e-01 4.46259031e-02-4.42421428e-05 3 2.23584078e-08-4.41548328e-12 4.43070338e+03 1.77897863e+01 4 sc3h5oh 2/ 3/ 9 c 3h 6o 1 0g 300.000 5000.000 1404.000 21 1.11222064e+01 1.27745410e-02-4.25315532e-06 6.48216484e-10-3.71190850e-14 2 -2.36690795e+04-3.41335182e+01-3.53977226e-02 4.34969453e-02-3.74479918e-05 3 1.70906074e-08-3.13775054e-12-2.02502608e+04 2.41528201e+01 4 c6h11 4/23/13 thermc 6h 11 0 0g 300.000 5000.000 1395.000 41 1.62895169e+01 2.56916506e-02-8.77728796e-06 1.36135999e-09-7.89198907e-14 2 9.64248821e+03-5.69731387e+01-1.10497097e+00 6.58962623e-02-4.49645678e-05 3 1.65326066e-08-2.57560053e-12 1.58086438e+04 3.67347517e+01 4 h2cococh3 7/ 6/13 thermc 3h 5o 2 0g 300.000 5000.000 1412.000 21 3.79062737e+01 5.42971051e-03-3.33938604e-06 8.33177683e-10-7.95831961e-14 2 -2.09703405e+04-1.40902518e+02 4.11384586e+01-7.62663758e-05-3.51139955e-08 3 -1.14125528e-12-3.30331004e-15-2.24026434e+04-1.59157172e+02 4 ccycoo 7/ 6/13 thermc 3h 5o 2 0g 300.000 5000.000 1398.000 21 1.52842170e+01 9.91133864e-03-3.41434716e-06 5.32813858e-10-3.10289585e-14 2 1.41164858e+03-5.24636435e+01 2.55262174e+00 4.36110094e-02-3.81896570e-05 3 1.69947150e-08-3.01394020e-12 5.41657441e+03 1.44748296e+01 4 tc3h5oo 6/ 6/13 thermc 3h 5o 2 0g 300.000 5000.000 1398.000 21 1.44892862e+01 1.06189587e-02-3.66414488e-06 5.72282956e-10-3.33427783e-14 2 -2.14964368e+03-4.82072152e+01 2.32747386e+00 4.28458215e-02-3.71917675e-05 3 1.66530071e-08-2.99207781e-12 1.69979772e+03 1.57682500e+01 4 end