thermo 300.000 1000.000 5000.000 !! RUN 375 OF NUIG ALKYLFURANS MECHANISM !! Please cite as: !! Somers et al. Phys. Chem. Chem. Phys. 2014, 16, 5349-5367 (Updated 2MF Mechanism) !! Somers et al., Combust. Flame., 2013, 160, 2291-2318 (25DMF Mechanism) !! Somers et al. Proc. Combust Inst., 2013, 34, 225-232. (Original 2MF Mechanism) !version: DIMETHYLFURAN THERMOCHEMISTRY !authors: FROM B. SIRJEAN, R. FOURNET WORK ON FURANS dmf25 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1401.000 01 1.62040470E+01 2.13113811e-02-7.05230339e-06 1.07130233e-09-6.12345990e-14 2 -2.31662780E+04-6.26215216e+01-1.90238394e+00 6.39059092e-02-4.46836532e-05 3 1.58691282E-08-2.24105387e-12-1.70068844e+04 3.43503878e+01 4 dmf24 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1400.000 01 1.61992384E+01 2.13022858e-02-7.04701218e-06 1.07030899e-09-6.11716912e-14 2 -2.19049207E+04-6.18803376e+01-1.74935652e+00 6.32700816e-02-4.38243812e-05 3 1.53807879E-08-2.14115852e-12-1.57727446e+04 3.43385761e+01 4 cc31m2cho 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1383.000 01 1.79447518E+01 2.00693289e-02-6.68130048e-06 1.01976250e-09-5.85031677e-14 2 -1.51838597E+03-6.69421787e+01 7.68963934e-01 5.65587038e-02-3.39060906e-05 3 9.02252347E-09-7.10649041e-13 4.68539206e+03 2.63847870e+01 4 h34de2o 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1676.000 01 1.58881038E+01 2.29905167e-02-8.01404583e-06 1.26697337e-09-7.46245866e-14 2 -7.83333653E+03-5.42524947e+01 1.40161032e+00 5.41994918e-02-3.11113597e-05 3 8.00553886E-09-6.65713160e-13-2.86948921e+03 2.40225540e+01 4 h35de2o 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1388.000 01 1.85183158E+01 1.97680503e-02-6.61796575e-06 1.01406846e-09-5.83402863e-14 2 -1.41113156E+04-7.15261505e+01-7.88521411e-01 6.30781882e-02-4.21452875e-05 3 1.35028727E-08-1.60975779e-12-7.35547015e+03 3.25864561e+01 4 h245te2oh 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1397.000 01 1.92231383E+01 1.88181664e-02-6.21189838e-06 9.42453517e-10-5.38350666e-14 2 -2.58395282E+03-7.52855925e+01-1.70616702e-01 6.84486151e-02-5.52254063e-05 3 2.30342560E-08-3.86500390e-12 3.64299720e+03 2.72114029e+01 4 pyran1m2h 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1399.000 01 1.65341236E+01 2.17058227e-02-7.32789076e-06 1.12811994e-09-6.50793503e-14 2 -1.44824142E+04-6.48907676e+01-3.53599822e+00 7.01262342e-02-5.19683335e-05 3 1.98080067E-08-3.05351387e-12-7.73078144e+03 4.22450416e+01 4 p13de1o2m 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1672.000 01 1.57719609E+01 2.30145715e-02-8.00416240e-06 1.26338350e-09-7.43275813e-14 2 -1.08816762E+04-5.44491912e+01 2.48823754e+00 5.06570449e-02-2.72065006e-05 3 6.14786024E-09-3.40982413e-13-6.23760670e+03 1.76729132e+01 4 p23de1o2m 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 2009.000 01 1.51049196E+01 2.30733588e-02-7.90551333e-06 1.23498113e-09-7.21272630e-14 2 -4.95190827E+03-4.87072618e+01 3.22314846e+00 4.82285378e-02-2.60070520e-05 3 6.24365374E-09-4.53234825e-13-8.23530216e+02 1.56656243e+01 4 cc312dm1cho BSIRJc 6h 8o 1 0g 300.000 5000.000 1385.000 01 1.73385254E+01 2.02861911e-02-6.69050599e-06 1.01438376e-09-5.79144855e-14 2 2.23952040E+02-6.32922526e+01 2.18399144e+00 5.22389907e-02-3.03066895e-05 3 7.85506159E-09-5.94084763e-13 5.73445636e+03 1.91585928e+01 4 dmf34 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1399.000 01 1.61569861E+01 2.13383191e-02-7.05963520e-06 1.07231159e-09-6.12899666e-14 2 -2.06875488E+04-6.23546454e+01-1.65687616e+00 6.27105663e-02-4.29646779e-05 3 1.48565422E-08-2.02844143e-12-1.45742104e+04 3.32400979e+01 4 dmf25acar 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1402.000 01 1.67092230E+01 2.08970481e-02-6.91259348e-06 1.04982583e-09-5.99973855e-14 2 7.30264533E+03-6.30746028e+01-2.04135553e+00 6.62659873e-02-4.85547738e-05 3 1.82497918E-08-2.75281151e-12 1.35582828e+04 3.69056200e+01 4 dmf25bcar 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1402.000 01 1.66827325E+01 2.09048767e-02-6.91251941e-06 1.04956043e-09-5.99727120e-14 2 6.87290229E+03-6.31866173e+01-1.48671236e+00 6.39918050e-02-4.53736960e-05 3 1.63707150E-08-2.35330416e-12 1.30164723e+04 3.39959946e+01 4 dmf24bcar 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1402.000 01 1.70377325E+01 2.06091377e-02-6.81125049e-06 1.03378985e-09-5.90546732e-14 2 9.41598648E+03-6.49493294e+01-1.96466207e+00 6.76552387e-02-5.13450788e-05 3 2.01422914E-08-3.18543775e-12 1.56588517e+04 3.60116201e+01 4 dmf34acar 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1403.000 01 1.71200051E+01 2.05390229e-02-6.78641887e-06 1.02980163e-09-5.88165480e-14 2 8.75542519E+03-6.56738506e+01-2.10540182e+00 6.87907766e-02-5.32534544e-05 3 2.13662679E-08-3.45739635e-12 1.50106594e+04 3.62475201e+01 4 dmf25opb1 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1477.000 01 1.81400589E+01 2.01148324e-02-6.74234044e-06 1.03390655e-09-5.95103239e-14 2 2.14761868E+04-6.52163698e+01 4.33936501e+00 4.32059577e-02-1.54363820e-05 3 -1.76042740E-09 1.55111091e-12 2.70709245e+04 1.19604169e+01 4 dmf25opb2 13/11/12 BSIRJc 6h 8o 1 0g 300.000 5000.000 1398.000 01 1.70793431E+01 2.05820954e-02-6.80332617e-06 1.03266406e-09-5.89924960e-14 2 1.73149872E+04-6.14451732e+01 2.25572085e-02 6.11550186e-02-4.33836357e-05 3 1.58770586E-08-2.34451485e-12 2.30936745e+04 2.97820185e+01 4 p2e4car 13/11/12 BSIRJc 5h 8o 0 0g 300.000 5000.000 1394.000 01 1.30054221E+01 1.89015697e-02-6.38195085e-06 1.06187838e-09-6.66394707e-14 2 3.54810820E+04-4.22974842e+01-7.28733316e-01 5.20332676e-02-3.76241318e-05 3 1.47531065E-08-2.40457670e-12 4.01817673e+04 3.11512736e+01 4 dmf252j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1403.000 01 1.69753960E+01 1.86765756e-02-6.25961515e-06 9.58949531e-10-5.51313528e-14 2 -6.71654082E+03-6.59181824e+01-2.89529722e+00 7.08214892e-02-5.93091177e-05 3 2.56216831E-08-4.43647742e-12-4.50274487e+02 3.86649401e+01 4 dmf242j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1403.000 01 1.69090698E+01 1.87262495e-02-6.27561986e-06 9.61356372e-10-5.52686052e-14 2 -5.20888937E+03-6.54981157e+01-3.22939533e+00 7.17200209e-02-6.03496248e-05 3 2.61738848E-08-4.54625564e-12 1.12736712e+03 4.04428390e+01 4 dmf244j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1403.000 01 1.69096217E+01 1.87328063e-02-6.27902618e-06 9.61975583e-10-5.53072231e-14 2 -3.21820870E+03-6.59912825e+01-2.84797317e+00 7.05847666e-02-5.90778127e-05 3 2.55467170E-08-4.43146210e-12 3.01681139e+03 3.80033131e+01 4 dmf25ch2 13/11/12 BSIRJc 6h 6o 1 0g 300.000 5000.000 1402.000 01 1.67787664E+01 1.68988464e-02-5.77350191e-06 8.95824160e-10-5.19570001e-14 2 -3.26089571E+03-6.73995095e+01-4.86489043e+00 7.72055102e-02-7.13991453e-05 3 3.35044167E-08-6.20534634e-12 3.26687206e+03 4.53595900e+01 4 h45de2o3j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1398.000 01 1.71497294E+01 1.85687140e-02-6.22995744e-06 9.55000117e-10-5.49255725e-14 2 8.61719250E+03-6.21179393e+01-3.16825569e-01 6.37172307e-02-5.17905681e-05 3 2.21203081E-08-3.83430620e-12 1.42357178e+04 3.01257501e+01 4 h35de2o1j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1399.000 01 1.89730609E+01 1.70059944e-02-5.69601154e-06 8.72815599e-10-5.02063670e-14 2 8.26525578E+03-7.32640301e+01-1.95799446e+00 7.20918397e-02-6.17998864e-05 3 2.69516363E-08-4.67984090e-12 1.48347071e+04 3.68197843e+01 4 che21o4j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1398.000 01 1.68852957E+01 1.95315762e-02-6.72178196e-06 1.04813267e-09-6.10024896e-14 2 -7.93989847E+03-6.74856051e+01-3.97305191e+00 7.10706977e-02-5.58952869e-05 3 2.25344630E-08-3.67245836e-12-1.02000032e+03 4.34678884e+01 4 cpropc3h4-a BSIRJc 6h 7o 1 0g 300.000 5000.000 1406.000 01 1.78414296E+01 1.79565085e-02-6.00981876e-06 9.19437063e-10-5.27980397e-14 2 1.68942284E+04-6.67293312e+01-2.07895685e+00 7.41393794e-02-6.77357193e-05 3 3.17858309E-08-5.89777462e-12 2.28252430e+04 3.67949054e+01 4 che21o5j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1396.000 01 1.71125732E+01 1.93641633e-02-6.66931956e-06 1.04046358e-09-6.05760071e-14 2 2.57795190E+02-6.74137258e+01-3.60476668e+00 7.14432791e-02-5.76243137e-05 3 2.40061275E-08-4.05291449e-12 7.06950417e+03 4.25208478e+01 4 h25de1o1j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1399.000 01 1.71990825E+01 1.78290002e-02-5.83105290e-06 8.78554046e-10-4.99242084e-14 2 9.83639642E+03-5.94929094e+01 6.39062361e-01 6.24743801e-02-5.28017822e-05 3 2.35173259E-08-4.21512733e-12 1.49685291e+04 2.72927585e+01 4 h35de1o1j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1390.000 01 1.71893393E+01 1.82285414e-02-6.05810604e-06 9.23501559e-10-5.29327286e-14 2 1.19836351E+04-5.99772988e+01 5.97419363e-01 5.64940297e-02-3.90070757e-05 3 1.34718783E-08-1.83071096e-12 1.77102870e+04 2.91664581e+01 4 h13de1o6j 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1396.000 01 1.75404863E+01 1.77231908e-02-5.83791398e-06 8.84343826e-10-5.04585434e-14 2 1.36329252E+04-6.17253701e+01 4.95175130e-01 6.05789410e-02-4.73055638e-05 3 1.91773810E-08-3.14053835e-12 1.91820102e+04 2.86306715e+01 4 cpe21cjo 13/11/12 BSIRJc 6h 7o 1 0g 300.000 5000.000 1399.000 01 1.62662928E+01 1.94297347e-02-6.55307027e-06 1.00828478e-09-5.81475987e-14 2 1.46174321E+03-6.09567251e+01-3.73518161e+00 6.99950237e-02-5.59513121e-05 3 2.30779338E-08-3.83994817e-12 7.96494473e+03 4.50030474e+01 4 chde241o 13/11/12 BSIRJc 6h 6o 1 0g 300.000 5000.000 1391.000 01 1.61505686E+01 1.76498563e-02-6.11349003e-06 9.61955758e-10-5.63555888e-14 2 -1.00581044E+04-6.27211839e+01-2.11937699e+00 6.30609042e-02-5.01423304e-05 3 2.07003206E-08-3.48347627e-12-3.98161967e+03 3.44406557e+01 4 chde251o 13/11/12 BSIRJc 6h 6o 1 0g 300.000 5000.000 1397.000 01 1.60056838E+01 1.77760892e-02-6.12598553e-06 9.56125041e-10-5.56845318e-14 2 -1.08565638E+04-6.37584309e+01-4.32244264e+00 6.96597563e-02-5.76609325e-05 3 2.44942419E-08-4.19132815e-12-4.26339082e+03 4.38125990e+01 4 cpe21j 13/11/12 BSIRJc 5h 7o 0 0g 300.000 5000.000 1400.000 01 1.28960142E+01 1.76749341e-02-6.04654041e-06 9.38958817e-10-5.44881988e-14 2 1.30513013E+04-4.73094375e+01-5.31979130e+00 6.44048016e-02-5.28033398e-05 3 2.24739997E-08-3.86924215e-12 1.89461238e+04 4.90161562e+01 4 p14de1j 13/11/12 BSIRJc 5h 7o 0 0g 300.000 5000.000 1397.000 01 1.33452453E+01 1.71705850e-02-5.84390176e-06 9.04222533e-10-5.23361076e-14 2 3.61984186E+04-4.56008009e+01-1.43163743e+00 5.44581081e-02-4.27817863e-05 3 1.78723435E-08-3.06840926e-12 4.10781850e+04 3.28193575e+01 4 p14de3j 13/11/12 BSIRJc 5h 7o 0 0g 300.000 5000.000 1424.000 01 1.23544752E+01 1.81164931e-02-5.65506601e-06 8.22997520e-10-4.55696180e-14 2 2.13530479E+04-4.05925408e+01-3.19382639e+00 6.42034206e-02-5.78424757e-05 3 2.72708094E-08-5.06138231e-12 2.56844517e+04 3.92911935e+01 4 dmf252h3j h 9c 6o 1 g 298.150 2000.000 1000.00 1 6.39028688e+00 4.39801140e-02-2.18070236e-05 5.01670066e-09-4.11705618e-13 2 -8.48753780e+03-6.44716232e+00-1.68828283e+00 6.65987452e-02-4.11914990e-05 3 8.24403667e-09 1.20537228e-12-6.38704147e+03 3.49511786e+01 4 h4e2o3j h 9c 6o 1 g 298.150 2000.000 1000.00 1 6.14898181e+00 4.33970869e-02-2.08189202e-05 4.52061310e-09-3.28444727e-13 2 -6.21744075e+03-1.46491991e+00 1.09392752e+00 5.25504883e-02-1.79487987e-05 3 -8.45961701e-09 5.68331674e-12-4.65308911e+03 2.56894989e+01 4 h5e2o4j h 9c 6o 1 g 298.150 2000.000 1000.00 1 6.58355635e+00 4.44561833e-02-2.24221470e-05 5.38254963e-09-4.86706863e-13 2 -5.67784659e+03-4.24258414e+00-5.80170823e-01 6.47139115e-02-4.02129686e-05 3 8.84591689e-09 7.46746442e-13-3.82524213e+03 3.24175536e+01 4 dmf253h2j c 6h 9o 1 g 298.000 2000.000 1000.00 1 ! 0.53956087E+01 0.45785843E-01-0.22941564E-04 0.53225110E-08-0.44135307E-12 2 ! -0.42530229E+04-0.12259965E+01 0.16141879E+00 0.55200271E-01-0.19779707E-04 3 ! -0.83077257E-08 0.58467891E-11-0.26300683E+04 0.26906527E+02 4 ! h4e2o5j 7/13/11 thermc 6h 9o 1 0g 300.000 5000.000 1387.000 31 ! 1.67424241e+01 2.33913634e-02-8.03146965e-06 1.25004168e-09-7.26486930e-14 2 ! 1.00464155e+03-5.68973091e+01 1.55672644e+00 5.52444948e-02-3.28266197e-05 3 ! 9.78933158e-09-1.17499248e-12 6.71249386e+03 2.60643237e+01 4 ! h4e2o1j 7/13/11 thermc 6h 9o 1 0g 300.000 5000.000 1391.000 31 1.86494196e+01 2.19441939e-02-7.57193344e-06 1.18256223e-09-6.88953839e-14 2 -6.22544448e+03-6.82339277e+01-3.02510303e-01 6.64554258e-02-4.80602379e-05 3 1.82064137e-08-2.85795746e-12 3.69920141e+02 3.35284622e+01 4 dmf253j jms c 6h 7o 1 g 298.150 2000.000 1000.00 1 ! 0.54820404e+01 0.39146928e-01-0.19783584e-04 0.46136680e-08-0.38219430e-12 2 ! 0.15228814e+05-0.88835000e+00 0.31529029e+00 0.48801158e-01-0.17745771e-04 3 ! -0.77576453e-08 0.54638269e-11 0.16812803e+05 0.26791425e+02+1.89071840e+04 4 ! h34de2o4j c 6h 7o 1 g 298.000 2000.000 1000.00 1 ! 0.63392226E+01 0.39586908E-01-0.21157889E-04 0.54141135E-08-0.53177072E-12 2 ! 0.12372054E+05-0.54460825E+00 0.33156070E+01 0.45096800E-01-0.19545869E-04 3 ! -0.22451371E-08 0.30291847E-11 0.13306006E+05 0.15688732E+02 4 ! p1e3y1o c 5h 4o 1 g 298.000 2000.000 1000.00 1 ! 0.52352957e+01 0.27548277e-01-0.15358441e-04 0.42440326e-08-0.47237922e-12 2 ! 0.18531131e+05 0.35940942e+01 0.32980839e+01 0.34684595e-01-0.25144125e-04 3 ! 0.10155293e-07-0.17970621e-11 0.18949200e+05 0.13093153e+02 4 ! dmf252oj 12/12/12 thermc 6h 7o 2 0g 300.000 5000.000 1398.000 21 ! 1.89075385e+01 1.95239899e-02-6.72119996e-06 1.04821684e-09-6.10133136e-14 2 ! -1.38544271e+04-7.38098535e+01-1.76977785e+00 7.09031702e-02-5.61670243e-05 3 ! 2.28926580e-08-3.77809807e-12-7.01245844e+03 3.60968932e+01 4 ! dmf255oj c 6h 7o 2 g 298.000 2000.000 1000.00 1 ! 0.22228415e+01 0.57115830e-01-0.35921126e-04 0.11173119e-07-0.13899556e-11 2 ! -0.54316713e+04 0.13297145e+02-0.39323574e+01 0.79599724e-01-0.66441614e-04 3 ! 0.29383209e-07-0.54082527e-11-0.40937865e+04 0.43526647e+02 4 ! mf25cho 12/12/12 thermc 6h 6o 2 0g 300.000 5000.000 1387.000 21 ! 1.86210335e+01 1.77950286e-02-6.25430627e-06 9.88995496e-10-5.81229718e-14 2 ! -3.32444883e+04-7.42471084e+01-1.57663344e+00 6.45814562e-02-4.74843926e-05 3 ! 1.74705103e-08-2.58590279e-12-2.62164678e+04 3.43264922e+01 4 ! mf2j5cho 12/12/12 thermc 6h 5o 2 0g 300.000 5000.000 1394.000 11 ! 1.93825488e+01 1.49983432e-02-5.28326532e-06 8.36727857e-10-4.92276394e-14 2 ! -1.65586416e+04-7.81120354e+01-2.55500438e+00 7.17741280e-02-6.25722239e-05 3 ! 2.74301525e-08-4.79474015e-12-9.52184612e+03 3.76991523e+01 4 ! mf25cjo 12/12/12 thermc 6h 5o 2 0g 300.000 5000.000 1392.000 21 ! 1.78575214e+01 1.58006723e-02-5.54376010e-06 8.75601641e-10-5.14158496e-14 2 ! -1.30273153e+04-6.81854508e+01-9.79481051e-01 6.16311686e-02-4.86690549e-05 3 ! 1.95299630e-08-3.17071899e-12-6.68448568e+03 3.23074446e+01 4 ! h34de26o 2/ 6/13 thermc 6h 6o 2 0g 300.000 5000.000 1389.000 31 ! 2.01668495e+01 1.60045735e-02-5.62322625e-06 8.88943444e-10-5.22301984e-14 2 ! -2.37305083e+04-7.66263543e+01 1.15263162e+00 6.36485685e-02-5.25098377e-05 3 ! 2.23347729e-08-3.86042422e-12-1.74163553e+04 2.44058859e+01 4 ! h34de21o 2/ 6/13 thermc 6h 6o 2 0g 300.000 5000.000 1385.000 31 ! 1.94944250e+01 1.65635198e-02-5.81330555e-06 9.18326411e-10-5.39293710e-14 2 ! -1.84271770e+04-7.21404329e+01 2.46444136e+00 5.60177336e-02-4.10187335e-05 3 ! 1.53872839e-08-2.37010674e-12-1.24536311e+04 1.94842916e+01 4 ! p4y2o 2/ 6/13 thermc 5h 6o 1 0g 300.000 5000.000 1374.000 21 ! 1.21766413e+01 2.32957001e-02-9.34908685e-06 1.59957861e-09-9.88670282e-14 2 ! -3.07080073e+03-3.75680423e+01 9.86393297e+00 6.23124246e-03 2.85735468e-05 3 ! -2.34781726e-08 5.29284742e-12 4.89014367e+02-1.63283733e+01 4 ! o*ccj*o 2/ 6/13 thermc 2h 1o 2 0g 300.000 5000.000 1388.000 11 ! 9.05721400e+00 3.10776622e-03-1.11541420e-06 1.78848272e-10-1.06125592e-14 2 ! -1.13972049e+04-2.09798323e+01 3.11862732e+00 1.88909092e-02-1.75247952e-05 3 ! 8.02834749e-09-1.45069909e-12-9.53116963e+03 1.02288271e+01 4 ! hmf5oj 12/12/12 thermc 6h 5o 3 0g 300.000 5000.000 1390.000 21 ! 2.13579759e+01 1.56080300e-02-5.53149108e-06 8.79549564e-10-5.18898954e-14 2 ! -2.35339467e+04-8.57656273e+01-1.10614310e+00 7.14190876e-02-5.92102645e-05 3 ! 2.45885357e-08-4.08992833e-12-1.61074057e+04 3.36316121e+01 4 ! dcho25f 12/12/12 thermc 6h 4o 3 0g 300.000 5000.000 1380.000 21 ! 2.14182065e+01 1.32227050e-02-4.75924773e-06 7.64534074e-10-4.54246724e-14 2 ! -4.28854377e+04-8.84827372e+01-2.95280314e-01 6.42882250e-02-5.02491069e-05 3 ! 1.90364373e-08-2.84289278e-12-3.54618536e+04 2.78770943e+01 4 ! dchof2j 12/12/12 thermc 6h 3o 3 0g 300.000 5000.000 1383.000 21 ! 2.05752554e+01 1.12754386e-02-4.06038630e-06 6.52485561e-10-3.87764074e-14 2 ! -2.26205554e+04-8.12236747e+01 8.77417569e-01 5.89629987e-02-4.81980614e-05 3 ! 1.92289771e-08-3.03783628e-12-1.60209936e+04 2.38533294e+01 4 ! h34de126o 2/ 6/13 thermc 6h 4o 3 0g 300.000 5000.000 1389.000 31 2.19876100e+01 1.20801663e-02-4.30943326e-06 6.88211060e-10-4.07236002e-14 2 -3.16695134e+04-8.32299556e+01 2.04182859e+00 6.37532831e-02-5.66408595e-05 3 2.51294437e-08-4.43643906e-12-2.52643391e+04 2.20703506e+01 4 m2e5f 12/12/12 thermc 7h 10o 1 0g 300.000 5000.000 1394.000 31 ! 1.95544858e+01 2.58964459e-02-8.85510444e-06 1.37473165e-09-7.97630782e-14 2 ! -2.75982128e+04-7.85626508e+01-2.57970806e+00 7.74773231e-02-5.48147926e-05 3 ! 2.00379709e-08-2.99676386e-12-1.99083022e+04 4.03406055e+01 4 ! m2je5f 12/12/12 thermc 7h 9o 1 0g 300.000 5000.000 1399.000 21 ! 2.03209862e+01 2.31014362e-02-7.88575027e-06 1.22282704e-09-7.08924253e-14 2 ! -1.09140249e+04-8.24549402e+01-3.74464910e+00 8.55022546e-02-7.11209753e-05 3 ! 3.07357970e-08-5.36479451e-12-3.18566558e+03 4.45811059e+01 4 ! m25jef-a 12/12/12 thermc 7h 9o 1 0g 300.000 5000.000 1386.000 21 ! 1.91731310e+01 2.54481479e-02-9.41633130e-06 1.52452831e-09-9.05298192e-14 2 ! -1.14980103e+04-7.71589212e+01-1.68074980e+00 7.21852765e-02-4.96164075e-05 3 ! 1.74545871e-08-2.56004272e-12-3.97811386e+03 3.56765157e+01 4 ! m2e5jf-p 12/12/12 thermc 7h 9o 1 0g 300.000 5000.000 1369.000 21 ! 2.15154213e+01 2.09514181e-02-7.46304672e-06 1.19057373e-09-7.03951613e-14 2 ! -3.65303560e+03-8.66337637e+01 1.30283595e-01 6.48074031e-02-3.99164007e-05 3 ! 1.13267255e-08-1.16300305e-12 4.43212865e+03 3.04693283e+01 4 ! hpt34de2o 11/22/12 thermc 7h 10o 1 0g 300.000 5000.000 1389.000 41 2.09561095e+01 2.49017686e-02-8.64662267e-06 1.35600167e-09-7.92248170e-14 2 -1.47105239e+04-8.19246866e+01 1.74154304e-02 7.36047599e-02-5.28234516e-05 3 2.00512080e-08-3.18972172e-12-7.32723437e+03 3.07565589e+01 4 hpt45de3o 11/22/12 thermc 7h 10o 1 0g 300.000 5000.000 2018.000 41 1.96992899e+01 2.85983721e-02-1.06307507e-05 1.75011860e-09-1.05887826e-13 2 -1.39134880e+04-7.51140291e+01 2.84194040e+00 5.90788645e-02-2.62186102e-05 3 2.52490540e-09 6.45433150e-13-7.49949100e+03 1.81605214e+01 4 hpt56de3o4j kps c 7h 9o 1 0g 300.000 5000.000 1397.000 01 2.03354805e+01 2.27241285e-02-7.50498184e-06 1.13864645e-09-6.50304601e-14 2 4.74076900e+03-7.65977787e+01-8.64732555e-01 7.67977421e-02-6.09346631e-05 3 2.53210003e-08-4.26515903e-12 1.15924046e+04 3.55544295e+01 4 hpt46de3o2j kps c 7h 9o 1 0g 300.000 5000.000 1399.000 01 2.24532886e+01 2.12308237e-02-7.06131782e-06 1.07713662e-09-6.17715904e-14 2 4.18665650e+03-8.97087992e+01-2.69485842e+00 8.56090679e-02-7.03625727e-05 3 2.93634256e-08-4.88477819e-12 1.22246364e+04 4.31352771e+01 4 che21o4j6m kps c 7h 9o 1 0g 300.000 5000.000 1393.000 01 2.01452423e+01 2.35638780e-02-7.94202073e-06 1.22202882e-09-7.04939630e-14 2 -1.18627775e+04-8.24204698e+01-5.28830563e+00 8.74484852e-02-6.99963504e-05 3 2.88361424e-08-4.79433332e-12-3.54309010e+03 5.24798074e+01 4 chde241o6m kps c 7h 8o 1 0g 300.000 5000.000 1392.000 01 1.93175415e+01 2.17676386e-02-7.33024139e-06 1.12712134e-09-6.49844952e-14 2 -1.39102336e+04-7.70544593e+01-2.63437122e+00 7.59976685e-02-5.90537897e-05 3 2.37290842e-08-3.86733580e-12-6.63009442e+03 3.97157558e+01 4 hpt45de2o3j kps c 7h 9o 1 0g 300.000 5000.000 1396.000 01 1.92621132e+01 2.39583884e-02-7.99318605e-06 1.22068677e-09-7.00234050e-14 2 4.11134796e+03-7.17835883e+01-2.03875862e-01 7.10192182e-02-5.17706895e-05 3 1.98426030e-08-3.11861819e-12 1.06806741e+04 3.21442845e+01 4 che21o4j5m kps c 7h 9o 1 0g 300.000 5000.000 1392.000 01 1.90989964e+01 2.47579641e-02-8.41358718e-06 1.30125552e-09-7.53164409e-14 2 -1.25022973e+04-7.77586422e+01-4.66522452e+00 8.18343528e-02-6.10499465e-05 3 2.34712540e-08-3.66888635e-12-4.44915672e+03 4.92445883e+01 4 hpt35de2o1j kps c 7h 9o 1 0g 300.000 5000.000 1397.000 01 2.10714947e+01 2.24197167e-02-7.47019580e-06 1.14048464e-09-6.54304560e-14 2 3.76510217e+03-8.28510588e+01-1.88734295e+00 7.96204525e-02-6.21675665e-05 3 2.49395695e-08-4.02690619e-12 1.12851306e+04 3.90267513e+01 4 evk 2/11/13 thermc 5h 8o 1 0g 300.000 5000.000 1668.000 31 1.50960566e+01 2.22275902e-02-8.29509193e-06 1.36915283e-09-8.29873104e-14 2 -2.51904555e+04-5.33708300e+01 1.84976179e+00 4.42999814e-02-1.65217384e-05 3 -7.85752881e-10 1.12075763e-12-2.00131669e+04 2.05398914e+01 4 ejvk-p 2/18/13 thermc 5h 7o 1 0g 300.000 5000.000 1515.000 31 1.73884553e+01 1.63291129e-02-5.85551295e-06 9.38282284e-10-5.56495565e-14 2 -1.66241832e+03-6.43090946e+01 3.59306469e+00 3.39102714e-02-3.49618472e-06 3 -9.20621603e-09 3.17511756e-12 4.53000166e+03 1.48772619e+01 4 ejvk-sa 2/18/13 thermc 5h 7o 1 0g 300.000 5000.000 1530.000 21 1.64405600e+01 1.75710758e-02-6.28636310e-06 1.00576665e-09-5.95876199e-14 2 -6.80531964e+03-5.86625934e+01 3.85228060e+00 3.05489501e-02 1.99788545e-06 3 -1.23226397e-08 3.78658716e-12-8.15490108e+02 1.47382614e+01 4 evjk-s 2/18/13 thermc 5h 7o 1 0g 300.000 5000.000 1470.000 21 1.79004971e+01 1.63707322e-02-5.88236384e-06 9.43856935e-10-5.60327337e-14 2 -1.76791649e+03-6.87894275e+01 4.32173490e+00 3.09682102e-02 2.46640359e-06 3 -1.34397107e-08 4.17770728e-12 4.55977465e+03 1.00495679e+01 4 evjk-p 2/18/13 thermc 5h 7o 1 0g 300.000 5000.000 1491.000 31 1.86951253e+01 1.52300598e-02-5.47949020e-06 8.79968360e-10-5.22713850e-14 2 2.88776967e+03-7.27799253e+01 3.14758954e+00 3.84784552e-02-9.63552599e-06 3 -6.06328433e-09 2.60604517e-12 9.48039685e+03 1.51722995e+01 4 hm25efoj 12/13/12 thermc 7h 9o 2 0g 300.000 5000.000 1396.000 31 ! 2.22220144e+01 2.38154364e-02-8.17781867e-06 1.27321499e-09-7.40215261e-14 2 ! -1.78570274e+04-8.96815592e+01-2.30868738e+00 8.52859518e-02-6.81083976e-05 3 ! 2.81868428e-08-4.73678281e-12-9.77100089e+03 4.05587927e+01 4 ! e25chof 12/13/12 thermc 7h 8o 2 0g 300.000 5000.000 1389.000 31 ! 2.18485187e+01 2.22343703e-02-7.77730344e-06 1.22587524e-09-7.18820479e-14 2 ! -3.72139443e+04-8.96276616e+01-1.85074650e+00 7.79100904e-02-5.80217172e-05 3 ! 2.20014451e-08-3.39548569e-12-2.90180725e+04 3.75380253e+01 4 ! e25cjof 12/13/12 thermc 7h 7o 2 0g 300.000 5000.000 1391.000 31 ! 2.10822122e+01 2.01993372e-02-7.04347708e-06 1.10790672e-09-6.48712095e-14 2 ! -1.69904815e+04-8.35296589e+01-9.53643884e-01 7.35549792e-02-5.70830728e-05 3 ! 2.27246123e-08-3.68183614e-12-9.52933993e+03 3.41456722e+01 4 ! e2jf5cho-a thermc 7h 7o 2 0g 300.000 5000.000 1384.000 31 ! 2.24733158e+01 1.95018695e-02-6.91408926e-06 1.09961678e-09-6.48804785e-14 2 ! -2.13550470e+04-9.34814440e+01-1.90295250e+00 7.69030831e-02-5.88237721e-05 3 ! 2.26078707e-08-3.51402559e-12-1.29477793e+04 3.72553176e+01 4 ! e2j5chof-p /12 thermc 7h 7o 2 0g 300.000 5000.000 1367.000 21 ! 2.43995533e+01 1.60350662e-02-5.78840557e-06 9.31651727e-10-5.54276302e-14 2 ! -1.33748175e+04-1.01504460e+02-5.30313264e-01 7.00052048e-02-4.77903451e-05 3 ! 1.45325729e-08-1.51659042e-12-4.43637959e+03 3.36600181e+01 4 ! e2f 12/13/12 thermc 6h 8o 1 0g 300.000 5000.000 1397.000 21 ! 1.68910680e+01 2.09660332e-02-7.15959425e-06 1.11056188e-09-6.43991712e-14 2 ! -2.06182717e+04-6.53179026e+01-3.71148395e+00 7.22605717e-02-5.67182209e-05 3 ! 2.31262895e-08-3.83483164e-12-1.38019676e+04 4.41708440e+01 4 ! e2f2j-a 12/13/12 thermc 6h 7o 1 0g 300.000 5000.000 1400.000 11 ! 1.68527688e+01 1.89816133e-02-6.49778049e-06 1.00955829e-09-5.86091572e-14 2 ! -4.40517487e+03-6.52326919e+01-3.82310572e+00 7.20263006e-02-5.94070325e-05 3 ! 2.52377485e-08-4.31904706e-12 2.26556265e+03 4.40675585e+01 4 ! e2f5j 12/13/12 thermc 6h 7o 1 0g 300.000 5000.000 1394.000 21 ! 1.58721983e+01 2.02464522e-02-7.48131823e-06 1.30135035e-09-8.29233958e-14 2 ! 1.41740476e+04-5.80104281e+01-2.78750321e+00 6.76755800e-02-5.45515460e-05 3 ! 2.28562964e-08-3.89037837e-12 2.02647742e+04 4.08338357e+01 4 ! e2f2j-p 2/ 8/13 c 6h 7o 1 0g 300.000 5000.000 1402.000 11 ! 1.61697284e+01 1.86683184e-02-6.20155011e-06 9.44437334e-10-5.40749390e-14 2 ! 4.80734149e+03-5.80653785e+01-3.05363327e+00 6.95225997e-02-5.84415548e-05 3 ! 2.54826128e-08-4.45739761e-12 1.08350051e+04 4.29769380e+01 4 ! h45de3o 2/ 8/13 thermc 6h 8o 1 0g 300.000 5000.000 1674.000 31 1.74644723e+01 2.28419822e-02-8.52791180e-06 1.40797653e-09-8.53574299e-14 2 -8.82872237e+03-6.42901454e+01 2.70139447e+00 4.93762833e-02-2.16384344e-05 3 1.59987061e-09 7.02136096e-13-3.24014077e+03 1.74009315e+01 4 h23de1o 2/ 8/13 thermc 6h 8o 1 0g 300.000 5000.000 1393.000 31 1.88196477e+01 1.92842317e-02-6.66113332e-06 1.04105801e-09-6.06817425e-14 2 -8.13215448e+03-7.17471059e+01 2.03220514e-01 6.56652046e-02-5.20441757e-05 3 2.16855161e-08-3.70756472e-12-1.91631267e+03 2.72762279e+01 4 m2v5f 12/12/12 thermc 7h 8o 1 0g 300.000 5000.000 1397.000 21 ! 2.01020697e+01 2.10265948e-02-7.23389742e-06 1.12775496e-09-6.56277385e-14 2 ! -1.25705354e+04-8.28719917e+01-2.06937929e+00 7.55145192e-02-5.89090443e-05 3 ! 2.35715102e-08-3.81724982e-12-5.18269351e+03 3.51760837e+01 4 ! m2jv5f 12/12/12 thermc 7h 7o 1 0g 300.000 5000.000 1402.000 11 ! 2.08567890e+01 1.82364721e-02-6.26522208e-06 9.75861235e-10-5.67541763e-14 2 ! 4.11796133e+03-8.66996840e+01-3.13317236e+00 8.30673580e-02-7.45243315e-05 3 ! 3.38515165e-08-6.09521231e-12 1.15254481e+04 3.89488108e+01 4 ! hpt145te3o thermc 7h 8o 1 0g 300.000 5000.000 1389.000 31 2.01991628e+01 2.09138731e-02-7.27970764e-06 1.14351990e-09-6.68876864e-14 2 -9.71642569e+02-7.75539064e+01 6.62468729e-01 6.87393856e-02-5.35546817e-05 3 2.21372055e-08-3.79403903e-12 5.68371545e+03 2.67454713e+01 4 hpt346te2o thermc 7h 8o 1 0g 300.000 5000.000 1392.000 31 2.08474355e+01 2.03532982e-02-7.08419184e-06 1.11278293e-09-6.50893061e-14 2 -1.02968572e+03-8.18921171e+01-3.46915710e-01 7.48908641e-02-6.27541792e-05 3 2.76257097e-08-4.95608607e-12 5.91307911e+03 3.02954249e+01 4 v2f 12/12/12 thermc 6h 6o 1 0g 300.000 5000.000 1401.000 11 ! 1.74328407e+01 1.60984765e-02-5.53859654e-06 8.63557550e-10-5.02597943e-14 2 ! -5.58779272e+03-6.95969029e+01-3.17704990e+00 7.01912007e-02-6.06696977e-05 3 ! 2.65793215e-08-4.63887543e-12 9.20080687e+02 3.88900532e+01 4 ! h145te3o 11/26/12 thermc 6h 6o 1 0g 300.000 5000.000 1391.000 21 1.73635757e+01 1.60635627e-02-5.59731731e-06 8.79896906e-10-5.14952137e-14 2 4.38910477e+03-6.32974399e+01 6.80331684e-01 5.81859010e-02-4.76203291e-05 3 2.04367801e-08-3.58681155e-12 9.92315328e+03 2.52783598e+01 4 h235te1o 11/26/12 thermc 6h 6o 1 0g 300.000 5000.000 1396.000 21 1.86988751e+01 1.48467074e-02-5.15880183e-06 8.09457864e-10-4.73121383e-14 2 5.53775618e+03-7.16953132e+01-4.80164050e-01 6.85799154e-02-6.45996635e-05 3 3.10203758e-08-5.88822109e-12 1.13666465e+04 2.82442583e+01 4 m52hmf 12/12/12 thermc 6h 8o 2 0g 300.000 5000.000 1398.000 31 1.85350002e+01 2.16869759e-02-7.40665101e-06 1.14893501e-09-6.66251706e-14 2 -4.12237890e+04-7.18083815e+01-8.85714036e-01 6.74049185e-02-4.84292532e-05 3 1.78405454e-08-2.66468992e-12-3.45523841e+04 3.23046442e+01 4 h34de2o1oh 1/ 7/13 thermc 6h 8o 2 0g 300.000 5000.000 1375.000 41 1.96215945e+01 2.12594645e-02-7.46250236e-06 1.17880651e-09-6.92196449e-14 2 -2.85468070e+04-7.12362346e+01 4.85068741e+00 5.01002031e-02-2.78367872e-05 3 7.36991720e-09-7.57173322e-13-2.27014907e+04 1.03554209e+01 4 h34de2o6oh 1/ 7/13 thermc 6h 8o 2 0g 300.000 5000.000 1380.000 41 2.00554684e+01 2.06137380e-02-7.17901957e-06 1.12828278e-09-6.60256864e-14 2 -2.89651060e+04-7.37462072e+01 2.93631086e+00 5.62573564e-02-3.41178007e-05 3 9.78623710e-09-1.03673564e-12-2.25598778e+04 1.97810083e+01 4 coch2oh 1/ 7/13 thermc 2h 3o 2 0g 300.000 5000.000 1667.000 21 7.08696326e+00 1.01440792e-02-3.73378248e-06 6.10608861e-10-3.67713835e-14 2 -2.23951395e+04-6.34672042e+00 5.56716042e+00 7.48319573e-03 5.68573156e-06 3 -6.32247983e-09 1.50379266e-12-2.12910928e+04 4.00765108e+00 4 chcchch2oh 1/ 7/13 thermc 4h 5o 1 0g 300.000 5000.000 1365.000 21 1.41160660e+01 1.15218618e-02-4.11037130e-06 6.56378509e-10-3.88365489e-14 2 1.37244223e+04-4.78595882e+01 2.76207850e+00 3.37812864e-02-1.92234867e-05 3 4.59034370e-09-2.91240821e-13 1.81227833e+04 1.46832495e+01 4 mf25ch2ooj h 7c 6o 3 g 298.150 2000.000 1000.00 1 8.25877355e+00 4.54316652e-02-2.56701490e-05 7.12234496e-09-7.84183979e-13 2 -1.17288017e+04-9.64160976e+00-1.07897697e+00 7.36455012e-02-5.42851539e-05 3 1.70618489e-08-9.84768440e-13-9.40439328e+03 3.76919303e+01 4 hm2furan 12/12/12 thermc 5h 6o 2 0g 300.000 5000.000 1402.000 21 1.58807923e+01 1.67439847e-02-5.70592070e-06 8.83871871e-10-5.12064741e-14 2 -3.42473697e+04-5.86198322e+01-1.99534502e+00 6.21036925e-02-5.02146384e-05 3 2.08587968e-08-3.48797989e-12-2.84498087e+04 3.60242065e+01 4 hmfuran-s 29/10/13 thermc 5h 5o 2 0g 300.000 5000.000 1397.000 11 1.54454975E+01 1.51724197E-02-5.20308383E-06 8.09393661E-10-4.70296701E-14 2 -1.70188569E+04-5.65246320E+01 6.75348244E-01 5.04391616E-02-3.74151015E-05 3 1.41924595E-08-2.17888964E-12-1.19987600E+04 2.24744239E+01 4 p23de1o5oh 0/29/13 thermc 5h 6o 2 0g 300.000 5000.000 1379.000 31 1.83866071e+01 1.42889328e-02-4.89096957e-06 7.60767580e-10-4.42282773e-14 2 -2.25637970e+04-6.61996297e+01 2.79095116e+00 4.96628768e-02-3.48479280e-05 3 1.20044765e-08-1.62123898e-12-1.70977908e+04 1.78435147e+01 4 p34de2o1oh 0/29/13 thermc 5h 6o 2 0g 300.000 5000.000 1374.000 31 1.68327618e+01 1.63681188e-02-5.76576132e-06 9.12930794e-10-5.36957311e-14 2 -2.32031570e+04-5.72490285e+01 4.53020694e+00 4.11674692e-02-2.43620385e-05 3 7.19996466e-09-8.87664002e-13-1.84143478e+04 1.04292944e+01 4 b1y4oh 10/29/13 thermc 4h 6o 1 0g 300.000 5000.000 1387.000 21 1.21624655e+01 1.52525323e-02-5.28538438e-06 8.27626326e-10-4.82994971e-14 2 -3.96419602e+03-3.61201736e+01 1.19392693e+00 4.20053686e-02-3.18341565e-05 3 1.34845102e-08-2.43576961e-12-1.30281029e+02 2.26183791e+01 4 ohch2cho 10/29/13 thermc 2h 4o 2 0g 300.000 5000.000 1464.000 21 1.02038651e+01 9.69948844e-03-3.47030224e-06 5.55230321e-10-3.28954491e-14 2 -4.27958631e+04-2.63392115e+01 5.20166841e+00 9.29979952e-03 1.16034153e-05 3 -1.29985667e-08 3.40848039e-12-3.98735619e+04 4.77698869e+00 4 ohch2cjo 10/29/13 thermc 2h 3o 2 0g 300.000 5000.000 1667.000 21 7.08696326e+00 1.01440792e-02-3.73378248e-06 6.10608861e-10-3.67713835e-14 2 -2.23951395e+04-6.34672042e+00 5.56716042e+00 7.48319573e-03 5.68573156e-06 3 -6.32247983e-09 1.50379266e-12-2.12910928e+04 4.00765108e+00 4 bifuryl kps c 12h 14o 2 0g 300.000 5000.000 1391.000 01 3.37834396e+01 3.89530660e-02-1.30452444e-05 1.99938894e-09-1.15045703e-13 2 -4.70258569e+04-1.49817804e+02-7.19329236e+00 1.35809896e-01-9.91781919e-05 3 3.61914801e-08-5.22212679e-12-3.31398268e+04 6.94681841e+01 4 bifuryl-j kps c 12h 13o 2 0g 300.000 5000.000 1392.000 01 3.34601201e+01 3.66887715e-02-1.22628660e-05 1.87686820e-09-1.07887535e-13 2 -2.90890762e+04-1.48283555e+02-5.29025629e+00 1.30793101e-01-9.93358763e-05 3 3.83334640e-08-5.92923833e-12-1.61691779e+04 5.82636860e+01 4 bifurylene kps c 12h 12o 2 0g 300.000 5000.000 1395.000 01 3.16576478e+01 3.54357194e-02-1.17760896e-05 1.79501541e-09-1.02877857e-13 2 -3.34634574e+04-1.37979997e+02-6.26411130e+00 1.33388167e-01-1.09946573e-04 3 4.68812205e-08-8.04449834e-12-2.13315130e+04 6.21957941e+01 4 bifurylene-j kps c 12h 11o 2 0g 300.000 5000.000 1389.000 01 3.07478737e+01 3.41481357e-02-1.14341951e-05 1.75186845e-09-1.00766016e-13 2 -1.67149714e+04-1.33769320e+02-2.58954156e+00 1.17514486e-01-9.26280441e-05 3 3.82453750e-08-6.44239616e-12-5.70324113e+03 4.33027383e+01 4 dmf252oh3j h 9c 6o 2 g 298.150 2000.000 1000.00 1 9.66969246e+00 4.56232018e-02-2.55272694e-05 7.21313707e-09-8.30008895e-13 2 -3.46802511e+04-2.32571935e+01-3.32490585e+00 9.61055657e-02-9.90067714e-05 3 5.47034425e-08-1.23285779e-11-3.20065300e+04 3.98082391e+01 4 h3e2o5oh5j c 6h 9o 2 g 298.000 2000.000 1000.00 1 !!< KPS: GUASSIAN> 8.57765790e+00 4.61030013e-02-2.45386177e-05 6.37570713e-09-6.50125769e-13 2 !!< KPS: GUASSIAN> -3.43043131e+04-1.25634526e+01 1.63316514e+00 6.72299834e-02-4.62526075e-05 3 !!< KPS: GUASSIAN> 1.42007113e-08-9.43629583e-13-3.25828651e+04 2.26024579e+01 4 !!< KPS: GUASSIAN> h25o3j h 9c 6o 2 g 298.150 2000.000 1000.00 1 !!< GAUSSIAN> 7.63820369e+00 4.66361942e-02-2.45038945e-05 6.17696888e-09-5.96835520e-13 2 !!< GAUSSIAN> -3.26509177e+04-5.03096366e+00-2.39884271e-02 6.80659228e-02-4.28199275e-05 3 !!< GAUSSIAN> 9.16861759e-09 9.60012281e-13-3.06575273e+04 3.42394441e+01 4 !!< GAUSSIAN> h25o3j h 9c 6o 2 g 298.150 2000.000 1000.00 1 !! 7.63820369e+00 4.66361942e-02-2.45038945e-05 6.17696888e-09-5.96835520e-13 2 !! -3.26509177e+04-5.03096366e+00-2.39884271e-02 6.80659228e-02-4.28199275e-05 3 !! 9.16861759e-09 9.60012281e-13-3.06575273e+04 3.42394441e+01 4 !! h3e25o 10/ 2/12 thermc 6h 8o 2 0g 300.000 5000.000 1384.000 41 1.98862367e+01 2.09727012e-02-7.35045442e-06 1.15999912e-09-6.80728885e-14 2 -4.66125904e+04-7.62183326e+01 4.84582593e-01 6.46535614e-02-4.50487211e-05 3 1.61217649e-08-2.38667703e-12-3.96513599e+04 2.86645828e+01 4 h3e25o1j 10/ 2/12 thermc 6h 7o 2 0g 300.000 5000.000 1389.000 31 2.06736643e+01 1.81532651e-02-6.37178895e-06 1.00659590e-09-5.91146397e-14 2 -2.45669196e+04-7.90962207e+01 3.16795364e-01 6.79212165e-02-5.39289889e-05 3 2.21072580e-08-3.70303312e-12-1.76863676e+04 2.95040722e+01 4 h3e15o1j 10/ 2/12 thermc 6h 7o 2 0g 300.000 5000.000 1392.000 41 1.92036148e+01 1.86418129e-02-6.46455729e-06 1.01306410e-09-5.91632471e-14 2 -2.18078933e+04-6.78528002e+01 5.92737910e-01 6.33283011e-02-4.79895007e-05 3 1.87858939e-08-3.00732241e-12-1.54617705e+04 3.16771960e+01 4 p3e25o 10/ 2/12 thermc 5h 6o 2 0g 300.000 5000.000 1407.000 31 1.52443801e+01 1.83020332e-02-6.00171209e-06 9.05086428e-10-5.14379638e-14 2 -3.87573391e+04-5.06312711e+01-1.90631224e-01 6.16986007e-02-5.36398615e-05 3 2.47416350e-08-4.57060543e-12-3.41355061e+04 2.96513764e+01 4 p3e25o1j 10/ 2/12 thermc 5h 5o 2 0g 300.000 5000.000 1393.000 21 1.85150680e+01 1.26675509e-02-4.45627020e-06 7.05084643e-10-4.14539685e-14 2 -1.79981069e+04-6.88480841e+01 2.08878349e-01 6.14907430e-02-5.56023475e-05 3 2.54063555e-08-4.61661517e-12-1.22363808e+04 2.73373716e+01 4 p3e25o5j 10/ 2/12 thermc 5h 5o 2 0g 300.000 5000.000 1393.000 21 1.66530038e+01 1.40249198e-02-4.87224257e-06 7.64361180e-10-4.46699961e-14 2 -2.16505773e+04-5.85171646e+01 1.53062621e+00 5.38955258e-02-4.66003586e-05 3 2.10746554e-08-3.85457873e-12-1.67929947e+04 2.11893842e+01 4 p3e15o 10/25/13 thermc 5h 6o 2 0g 300.000 5000.000 1396.000 31 1.80403573e+01 1.42881632e-02-4.82520544e-06 7.43659686e-10-4.29546058e-14 2 -3.43962214e+04-6.46989132e+01-4.86614873e-01 6.22438888e-02-5.27804705e-05 3 2.26344997e-08-3.86567759e-12-2.85040437e+04 3.30213565e+01 4 p3e15o1j 10/25/13 thermc 5h 5o 2 0g 300.000 5000.000 1396.000 31 1.76097421e+01 1.21942372e-02-4.12229783e-06 6.35944835e-10-3.67632443e-14 2 -1.54323023e+04-6.07215497e+01 2.90296093e-01 5.74479605e-02-4.97563181e-05 3 2.16085780e-08-3.71766732e-12-9.97656676e+03 3.04627584e+01 4 p3e2o 10/ 2/12 thermc 5h 8o 1 0g 300.000 5000.000 1384.000 31 1.52886697e+01 1.98662648e-02-6.89055740e-06 1.07982477e-09-6.30576442e-14 2 -2.68172280e+04-5.44853072e+01 6.81127982e-01 5.09739133e-02-3.17532752e-05 3 1.00236661e-08-1.29833699e-12-2.13719358e+04 2.51555828e+01 4 h3e2o 10/30/13 thermc 6h 10o 1 0g 300.000 5000.000 1388.000 41 1.84721243e+01 2.43857881e-02-8.45087135e-06 1.32355066e-09-7.72571590e-14 2 -3.09999639e+04-7.02956904e+01-3.15490152e-01 6.60509233e-02-4.37842372e-05 3 1.50817338e-08-2.16860795e-12-2.41746337e+04 3.15259918e+01 4 h3e2o1j 10/30/13 thermc 6h 9o 1 0g 300.000 5000.000 1392.000 31 1.93220411e+01 2.15475627e-02-7.47332391e-06 1.17111408e-09-6.83872568e-14 2 -8.98260352e+03-7.42378565e+01-9.46453913e-01 7.15989690e-02-5.61640314e-05 3 2.32795937e-08-3.98059590e-12-2.14612151e+03 3.37720706e+01 4 h3e2o5j 10/30/13 thermc 6h 9o 1 0g 300.000 5000.000 1387.000 31 1.80783961e+01 2.26867383e-02-7.88539537e-06 1.23748750e-09-7.23369290e-14 2 -1.39581170e+04-6.94092521e+01-6.30933771e-01 6.43787285e-02-4.33252307e-05 3 1.50149201e-08-2.15334545e-12-7.20093070e+03 3.18845224e+01 4 h35de2o 10/30/13 thermc 6h 8o 1 0g 300.000 5000.000 1391.000 31 1.84070973e+01 1.98376097e-02-6.89678273e-06 1.08249005e-09-6.32818605e-14 2 -1.73440326e+04-7.05382921e+01-1.13247598e+00 6.94851658e-02-5.69817825e-05 3 2.47174708e-08-4.39678790e-12-1.08698326e+04 3.31313357e+01 4 c5h10-1 10/30/13 thermc 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+04-5.16708043e+01-9.44396392e-01 5.68704795e-02-3.67439266e-05 3 1.23594281e-08-1.71986028e-12-4.47154633e+03 3.14217635e+01 4 nc5h91-3 0/30/13 thermc 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 7.04524537e+03-5.07365125e+01-1.23771006e+00 5.51220954e-02-3.61914162e-05 3 1.22436788e-08-1.69512209e-12 1.24982112e+04 3.16731802e+01 4 dmf252ooh3j h 9c 6o 3 g 298.150 2000.000 1000.00 1 1.26511027e+01 4.50278421e-02-2.48158752e-05 6.79317042e-09-7.44269412e-13 2 -2.61420122e+04-3.53743422e+01 2.57885973e-01 8.80220574e-02-7.94392203e-05 3 3.66300821e-08-6.55883440e-12-2.33344363e+04 2.60604275e+01 4 h4e2o5ooh3j h 9c 6o 3 g 298.150 2000.000 1000.00 1 8.13397379e+00 5.18623471e-02-2.76725588e-05 7.05548521e-09-6.87259138e-13 2 -2.26506777e+04-9.57439544e+00 1.95860282e+00 6.61147687e-02-3.33775977e-05 3 4.09782151e-10 3.58643221e-12-2.08931504e+04 2.28304654e+01 4 tmf2253j h 11c 7o 1 0g 298.150 2000.000 1000.00 1 ! 7.87374900E+00 5.30295798E-02-2.74668731E-05 6.86784534E-09-6.62631572E-13 2 ! -1.52885999E+04-1.45660562E+01-2.19648273E+00 8.59904583E-02-6.59281182E-05 3 ! 2.51886270E-08-3.41281488E-12-1.29085511E+04 3.58470029E+01 4 ! h4e2o3j5m KPS h 11c 7o 1 0g 300.000 5000.000 1394.000 01 ! 2.10750691E+01 2.66212290E-02-8.73280558E-06 1.31890500E-09-7.50873594E-14 2 ! -1.83325755E+04-8.39332779E+01-4.33693317E-01 7.78763019E-02-5.51386854E-05 3 ! 2.02873871E-08-3.02685458E-12-1.10466273E+04 3.10867955E+01 4 ! h5e2o4j5m KPS h 11c 7o 1 0g 300.000 5000.000 1398.000 01 ! 2.16383668E+01 2.64887248E-02-8.75241853E-06 1.32793167E-09-7.58291782E-14 2 ! -1.77370229E+04-8.70403545E+01-1.25317740E+00 8.49248630E-02-6.67204952E-05 3 ! 2.77327143E-08-4.69756007E-12-1.03226050E+04 3.40764585E+01 4 ! !version: THERMOCHEMISTRY FOR 2-METHYLFURAN SPECIES !authors: K.P. SOMERS !version: THERMOCHEMISTRY FOR 2-METHYLFURAN SPECIES !authors: K.P. SOMERS, J.M. SIMMIE, W.K. METCALFE, H.J. CURRAN !-----------------------------------------------------------------------------! !--------------------- UNIMOLECULAR ----------------------------------! !-----------------------------------------------------------------------------! mf2 h 6c 5o 1 g 298.150 2000.000 1000.00 1 ! 1.52331115E+01 1.30227646E-02-4.50925712E-06 7.06018029E-10-4.12084478E-14 2 ! 1.70318973E+04-5.49040725E+01 1.05973463E+00 4.77867399E-02-3.75110793E-05 3 ! 1.51022390E-08-2.46555306E-12 2.17732143E+04 2.06039172E+01 4 ! mf23j c 5h 5o 1 g 298.150 2000.000 1000.00 1 ! 0.47368785E+01 0.31248140E-01-0.16744509E-04 0.42820802E-08-0.41665390E-12 2 ! 0.21649953E+05 0.12763956E+01-0.16897917E+01 0.49120625E-01-0.31801944E-04 3 ! 0.64861745E-08 0.99087142E-12 0.23326997E+05 0.34239914E+02 2.47405007E+04 4 ! mf24j c 5h 5o 1 g 298.150 2000.000 1000.00 1 ! 0.45794109E+01 0.31825691E-01-0.17423910E-04 0.46127479E-08-0.47443406E-12 2 ! 0.21594891E+05 0.20486956E+01-0.17773850E+01 0.49813783E-01-0.33247411E-04 3 ! 0.77226570E-08 0.60786154E-12 0.23238205E+05 0.34576334E+02 2.46442880E+04 4 ! mf25j c 5h 5o 1 g 298.150 2000.000 1000.00 1 ! 0.50909373E+01 0.30496692E-01-0.16018733E-04 0.39492299E-08-0.35861013E-12 2 ! 0.21476517E+05-0.52398919E+00-0.14373784E+01 0.48872661E-01-0.31976748E-04 3 ! 0.68506134E-08 0.85036726E-12 0.23169044E+05 0.32905684E+02 2.46442880E+04 4 ! p23de1o4j 7/13/11 thermc 5h 5o 1 0g 300.000 5000.000 1394.000 11 ! 1.52331115E+01 1.30227646E-02-4.50925712E-06 7.06018029E-10-4.12084478E-14 2 ! 1.70318973E+04-5.49040725E+01 1.05973463E+00 4.77867399E-02-3.75110793E-05 3 ! 1.51022390E-08-2.46555306E-12 2.17732143E+04 2.06039172E+01 4 ! p34de2o5j 7/13/11 thermc 5h 5o 1 0g 300.000 5000.000 1389.000 21 ! 1.48587061E+01 1.30302747E-02-4.53664397E-06 7.12837647E-10-4.17072933E-14 2 ! 1.46716218E+04-4.96534471E+01 1.77986731E+00 4.43054795E-02-3.36059727E-05 3 ! 1.32250101E-08-2.13953508E-12 1.91609034E+04 2.03655993E+01 4 ! p13de1o4j c 5h 5o 1 g 298.000 2000.000 1000.00 1 ! 0.54149883E+01 0.30780909E-01-0.16997469E-04 0.45972129E-08-0.49093740E-12 2 ! 0.27113588E+05 0.34703779E+01 0.18189961E+01 0.42295194E-01-0.29964370E-04 3 ! 0.10372129E-07-0.12172455E-11 0.27976271E+05 0.21536383E+02 4 ! hmfuran 12/12/12 thermc 5h 6o 2 0g 300.000 5000.000 1402.000 21 1.58807923e+01 1.67439847e-02-5.70592070e-06 8.83871871e-10-5.12064741e-14 2 -3.42473697e+04-5.86198322e+01-1.99534502e+00 6.21036925e-02-5.02146384e-05 3 2.08587968e-08-3.48797989e-12-2.84498087e+04 3.60242065e+01 4 hmfuran-s 29/10/13 thermc 5h 5o 2 0g 300.000 5000.000 1397.000 11 ! 1.54454975E+01 1.51724197E-02-5.20308383E-06 8.09393661E-10-4.70296701E-14 2 ! -1.70188569E+04-5.65246320E+01 6.75348244E-01 5.04391616E-02-3.74151015E-05 3 ! 1.41924595E-08-2.17888964E-12-1.19987600E+04 2.24744239E+01 4 ! mf22oj 12/12/12 thermc 5h 5o 2 0g 300.000 5000.000 1402.000 11 ! 1.62442060E+01 1.45854629E-02-5.02114529E-06 7.83158796E-10-4.55905403E-14 2 ! -6.87184209E+03-6.05634429E+01-2.88098804E+00 6.56248817E-02-5.80124908E-05 3 ! 2.59562246E-08-4.61214914E-12-9.09985356E+02 3.98209058E+01 4 ! f2cho 12/12/12 thermc 5h 4o 2 0g 300.000 5000.000 1391.000 11 ! 1.59742013e+01 1.28356820e-02-4.54576637e-06 7.22493252e-10-4.26117679e-14 2 ! -2.62721413e+04-6.11020350e+01-2.66617483e+00 5.91344905e-02-4.90000348e-05 3 ! 2.02970356e-08-3.36298027e-12-2.01154306e+04 3.79646578e+01 4 ! f2cho5j 12/12/12 thermc 5h 3o 2 0g 300.000 5000.000 1572.000 11 ! 2.04743369e+01 5.75626710e-03-2.43199396e-06 4.31904846e-10-2.74483146e-14 2 ! 5.78634552e+03-8.61102845e+01 2.57520935e+00 3.36278419e-02-1.00944783e-05 3 ! -5.18167601e-09 2.40059610e-12 1.33164638e+04 1.48449067e+01 4 ! f2cjo 12/12/12 thermc 5h 3o 2 0g 300.000 5000.000 1227.000 11 ! 1.91797165e+02-2.95784351e-01 1.74538810e-04-4.04670472e-08 3.13427497e-12 2 ! -7.79351644e+04-1.04251781e+03-3.67371834e+01 2.13589471e-01-2.67208698e-04 3 ! 1.42070867e-07-2.71327444e-11 4.44844889e+03 1.95174615e+02 4 ! p23de15o 2/ 7/13 thermc 5h 4o 2 0g 300.000 5000.000 1394.000 21 1.80021085e+01 1.05368237e-02-3.71675363e-06 5.89143123e-10-3.46813067e-14 2 -1.71636449e+04-6.70471710e+01 1.06235284e+00 5.71197139e-02-5.40332518e-05 3 2.55506178e-08-4.75830946e-12-1.19684224e+04 2.14675476e+01 4 mf25oh 12/12/12 thermc 5h 6o 2 0g 300.000 5000.000 1400.000 21 ! 1.60175158e+01 1.66081799e-02-5.65426463e-06 8.75270913e-10-5.06827331e-14 2 ! -3.78228584e+04-5.94854138e+01-6.65784308e-01 5.85860860e-02-4.65726640e-05 3 ! 1.91628845e-08-3.19185418e-12-3.23625195e+04 2.89928814e+01 4 ! mf2j5oh 12/12/12 thermc 5h 5o 2 0g 300.000 5000.000 1405.000 11 ! 1.67731576e+01 1.38130707e-02-4.68303901e-06 7.22900099e-10-4.17784180e-14 2 ! -2.11343272e+04-6.33172915e+01-1.74835502e+00 6.62157258e-02-6.22992973e-05 3 ! 2.95082933e-08-5.48342107e-12-1.56513320e+04 3.28540957e+01 4 ! mf25oj 12/12/12 thermc 5h 5o 2 0g 300.000 5000.000 1398.000 11 ! 1.56719167e+01 1.50644182e-02-5.18476563e-06 8.08530339e-10-4.70609420e-14 2 ! -3.01102176e+04-5.78187263e+01-1.54991792e+00 5.88447707e-02-4.83826530e-05 3 ! 2.03695011e-08-3.45120807e-12-2.45174186e+04 3.33591737e+01 4 ! p23de1o1oh 2/ 6/13 thermc 5h 6o 2 0g 300.000 5000.000 1392.000 31 1.71546991e+01 1.57314535e-02-5.46347623e-06 8.56957078e-10-5.00753644e-14 2 -3.44327780e+04-6.22083452e+01 1.13867730e+00 5.65078785e-02-4.65368248e-05 3 2.01510663e-08-3.56553898e-12-2.91514608e+04 2.27088352e+01 4 p34de2o5oh 2/ 6/13 thermc 5h 6o 2 0g 300.000 5000.000 1398.000 31 1.78982412e+01 1.49245951e-02-5.14546341e-06 8.03113609e-10-4.67679201e-14 2 -2.70523243e+04-6.51823992e+01 8.72856528e-01 6.15571921e-02-5.55404324e-05 3 2.58863026e-08-4.81373287e-12-2.17844490e+04 2.38902326e+01 4 c#ccjoh 2/ 6/13 thermc 3h 3o 1 0g 300.000 5000.000 1400.000 11 1.06184024e+01 6.67802699e-03-2.30165431e-06 3.59205236e-10-2.09169935e-14 2 1.48582203e+04-3.22389635e+01 6.44145922e-01 3.60397858e-02-3.60335013e-05 3 1.79320005e-08-3.46680897e-12 1.77307061e+04 1.92037523e+01 4 mf25oh4j 06/02/13 thermc 5h 7o 2 0g 300.000 5000.000 1412.000 01 ! 1.87648424E+01 1.62097752E-02-5.21189509E-06 7.75853554E-10-4.37071164E-14 2 ! -3.23218276E+04-7.36394774E+01-3.35594876E+00 8.18288869E-02-7.98221231E-05 3 ! 3.88351856E-08-7.31995198E-12-2.61414183E+04 4.00363701E+01 4 ! p4e2o5oh3j thermc 5h 7o 2 0g 300.000 5000.000 1406.000 01 ! 1.80295531E+01 1.71401279E-02-5.60075338E-06 8.43651654E-10-4.79429423E-14 2 ! -3.22394525E+04-6.53943512E+01-2.30428096E-01 6.48851086E-02-5.35717180E-05 3 ! 2.27153483E-08-3.84272855E-12-2.65118350E+04 3.06928842E+01 4 ! p25o4j 06/02/13 thermc 5h 7o 2 0g 300.000 5000.000 1384.000 01 ! 1.85111508E+01 1.76877052E-02-5.99996548E-06 9.27796453E-10-5.37241197E-14 2 ! -3.16253605E+04-6.71585369E+01-1.20945215E+00 6.08720380E-02-3.97800759E-05 3 ! 1.17614411E-08-1.16084685E-12-2.46533550E+04 3.95025648E+01 4 ! mf22oh3j 06/02/13 thermc 5h 7o 2 0g 300.000 5000.000 1412.000 01 ! 1.87648424E+01 1.62097752E-02-5.21189509E-06 7.75853554E-10-4.37071164E-14 2 ! -3.23218276E+04-7.36394774E+01-3.35594876E+00 8.18288869E-02-7.98221231E-05 3 ! 3.88351856E-08-7.31995198E-12-2.61414183E+04 4.00363701E+01 4 ! p3e1o4oh2j thermc 5h 7o 2 0g 300.000 5000.000 1406.000 01 ! 1.80295531E+01 1.71401279E-02-5.60075338E-06 8.43651654E-10-4.79429423E-14 2 ! -3.22394525E+04-6.53943512E+01-2.30428096E-01 6.48851086E-02-5.35717180E-05 3 ! 2.27153483E-08-3.84272855E-12-2.65118350E+04 3.06928842E+01 4 ! p14o3j 06/02/13 thermc 5h 7o 2 0g 300.000 5000.000 1384.000 01 ! 1.85111508E+01 1.76877052E-02-5.99996548E-06 9.27796453E-10-5.37241197E-14 2 ! -3.16253605E+04-6.71585369E+01-1.20945215E+00 6.08720380E-02-3.97800759E-05 3 ! 1.17614411E-08-1.16084685E-12-2.46533550E+04 3.95025648E+01 4 ! f2oh 12/11/12 thermc 4h 4o 2 0g 300.000 5000.000 1406.000 11 ! 1.33584430e+01 1.16707443e-02-3.95584448e-06 6.10615102e-10-3.52898125e-14 2 ! -3.08459730e+04-4.62719112e+01-1.76671948e+00 5.32205319e-02-4.82501024e-05 3 ! 2.21118194e-08-3.99969418e-12-2.62605016e+04 3.26778619e+01 4 ! f2oj 12/11/12 thermc 4h 3o 2 0g 300.000 5000.000 1659.000 11 ! 1.55147468e+01 8.39413365e-03-3.63204564e-06 6.56416815e-10-4.22453683e-14 2 ! -2.42950108e+04-5.94776649e+01 1.00286502e+00 3.61011202e-02-1.97036719e-05 3 ! 2.86002782e-09 3.16574727e-13-1.89622823e+04 2.02304795e+01 4 ! b23de1o4oh 2/ 7/13 thermc 4h 4o 2 0g 300.000 5000.000 1404.000 21 1.58069571e+01 9.29049243e-03-3.15965110e-06 4.88723778e-10-2.82828340e-14 2 -2.04986912e+04-5.52875450e+01 7.72900983e-01 5.49879348e-02-5.68454332e-05 3 2.88372077e-08-5.62724151e-12-1.63332811e+04 2.17060552e+01 4 chcch2oh 2/ 7/13 thermc 3h 4o 1 0g 300.000 5000.000 1379.000 21 7.04645907e+00 1.54387011e-02-6.14624957e-06 1.04533963e-09-6.43194550e-14 2 1.00679307e+03-1.07053603e+01 8.01928702e+00 1.96739499e-04 2.02021868e-05 3 -1.49382937e-08 3.21401695e-12 2.30639252e+03-1.07641950e+01 4 b2e14o1j 10/20/11 thermc 4h 3o 2 0g 300.000 5000.000 1399.000 11 ! 1.45597144e+01 8.39500223e-03-2.88801536e-06 4.50202528e-10-2.61967722e-14 2 ! -1.50944887e+04-4.86098057e+01 1.34600763e+00 4.77129614e-02-4.84800326e-05 3 ! 2.43762387e-08-4.74392392e-12-1.13293518e+04 1.93948842e+01 4 ! !version: THERMOCHEMISTRY FOR FURAN MECHANISM !authors: FROM TIAN ET AL. furan T05/10c 4h 4o 1 g 200.000 6000.000 1000. 1 ! 9.38934815E+00 1.40291272E-02-5.07755291E-06 8.24137746E-10-4.95320289E-14 2 ! -8.61901204E+03-2.79176954E+01 8.47468962E-01 1.31773848E-02 5.99735711E-05 3 ! -9.71562635E-08 4.22733668E-11-5.30444911E+03 2.14931050E+01-4.10826086E+03 4 ! f2j c 4h 3o 1 g 298.000 2000.000 1000.00 1 ! 0.39490492E+01 0.24349976E-01-0.14867066E-04 0.44659202E-08-0.53352301E-12 2 ! 0.25408587E+05 0.40595040E+01-0.39256604E+01 0.52076363E-01-0.50797969E-04 3 ! 0.24647404E-07-0.46357810E-11 0.27172152E+05 0.42993539E+02 4 ! f3j 3/ 1/11 ThERMc 4h 3o 1 0G 300.000 5000.000 1672.000 21 ! 1.01870197E+01 1.04622944E-02-3.95031523E-06 6.57083868E-10-4.00417352E-14 2 ! 2.48082460E+04-3.09166257E+01-1.44603019E+00 3.64762240E-02-2.44156371E-05 3 ! 7.31427690E-09-7.77918239E-13 2.87045081E+04 3.16015278E+01 4 ! furop1 h 4c 4o 1 0g 300.00 5000.00 1000.00 1 ! 9.28539529e+00 1.52442232e-02-6.17093847e-06 1.12927691e-09-7.71191673e-14 2 ! 5.10296435e+03-2.19083559e+01 1.03103688e+00 3.65922905e-02-2.55457284e-05 3 ! 7.52571093e-09-2.33290792e-13 7.56140279e+03 2.13421903e+01 4 ! furop2 h 4c 4o 1 0g 300.00 5000.00 1000.00 1 ! 9.29991052e+00 1.52201510e-02-6.15883937e-06 1.12678366e-09-7.69359137e-14 2 ! 3.68009609e+03-2.20663746e+01 1.23852148e+00 3.56054647e-02-2.36786887e-05 3 ! 5.92234361e-09 2.82885884e-13 6.10569242e+03 2.02911558e+01 4 ! c4h5o-3 c 4h 5o 1 g 298.000 2000.000 1000.00 1 ! !!! c4h5o-2 3/ 1/11 ThERMc 4h 5o 1 0G 300.000 5000.000 1483.000 21 ! !!! c4h5o-2 h 5c 4o 1 0g 300.000 5000.000 1412.000 01 ! 4.06576494e+00 2.92900237e-02-1.60709509e-05 4.28480329e-09-4.45714480e-13 2 ! !!! -1.05170176E+02 1.80885228E-01-8.10847614E-05 1.43929789E-08-8.78408228E-13 2 ! !!! 1.26271841e+01 1.28823810e-02-4.41098012e-06 6.85573430e-10-3.98142377e-14 2 ! 3.02545265e+03 2.54769218e+00-3.72084067e+00 5.49351494e-02-4.62866942e-05 3 ! !!! 6.11653811E+04 6.36867871E+02-2.04247529E+01 1.58033392E-01-2.38445779E-04 3 ! !!! 5.04143653e+03-4.50278040e+01-3.62043395e+00 5.42040310e-02-4.46259633e-05 3 ! 1.89273354e-08-2.73102332e-12 4.85783861e+03 4.14888873e+01 4 ! !!! 1.55775802E-07-3.51772332E-11 9.93985226E+03 1.12768214E+02 4 ! !!! 1.84050070e-08-3.00921508e-12 1.02524986e+04 4.08784649e+01 4 ! c4h5o-2 c 4h 5o 1 g 298.000 2000.000 1000.00 1 ! !!! c4h5o-3 3/ 1/11 ThERMc 4h 5o 1 0G 300.000 5000.000 1909.000 21 ! !!! c4h5o-3 h 5c 4o 1 0g 300.000 5000.000 1419.000 01 ! 4.00778720e+00 2.94859225e-02-1.62770658e-05 4.37892732e-09-4.61488509e-13 2 ! !!! -4.82388890E+01 1.03334274E-01-4.60321803E-05 7.99593486E-09-4.70534548E-13 2 ! !!! 1.25342600e+01 1.28454784e-02-4.37373652e-06 6.77292420e-10-3.92348442e-14 2 ! 9.02826756e+03 2.90145034e+00-3.50679568e+00 5.40447417e-02-4.48660263e-05 3 ! !!! 2.57544179E+04 3.03505205E+02-1.50158741E+01 1.23898199E-01-1.72866000E-04 3 ! !!! -9.16352854e+02-4.49801897e+01-3.60858854e+00 5.35501304e-02-4.34028501e-05 3 ! 1.79387220e-08-2.47655912e-12 1.08061597e+04 4.05298470e+01 4 ! !!! 1.06873404E-07-2.29197241E-11 4.52445327E+03 8.96210208E+01 4 ! !!! 1.75203364e-08-2.79033869e-12 4.27490875e+03 4.04607163e+01 4 ! f25h 3/ 1/11 ThERMc 4h 6o 1 0G 300.000 5000.000 1357.000 21 ! 1.05685693E+01 2.26750222E-02-9.37411152E-06 1.63866189E-09-1.02913672E-13 2 ! -1.49390659E+04-4.08325898E+01 8.90079542E+00-1.32552701E-02 6.42463809E-05 3 ! -4.65299599E-08 1.02842695E-11-9.64125555E+03-1.65132384E+01 4 ! f23h 3/ 1/11 ThERMc 4h 6o 1 0G 300.000 5000.000 1812.000 21 ! -5.85758229E+00 3.81109938E-02-1.32553041E-05 1.58493486E-09-4.31037574E-14 2 ! -7.74253060E+03 6.23985555E+01-1.06757969E+01 9.33663317E-02-1.00542562E-04 3 ! 4.82414644E-08-8.04775346E-12-1.10910876E+04 7.07668828E+01 4 ! c5h6o h 6c 5o 1 0g 300.00 5000.00 1000.00 1 ! 0.25232162E+02-0.31277775E-02 0.35654705E-05-0.91419400E-09 0.75387355E-13 2 ! -0.30542637E+04-0.10786274E+03 0.37769291E+01 0.34727219E-01-0.12503757E-04 3 ! -0.16478651E-08 0.58235757E-12 0.49119033E+04 0.10642186E+02 4 ! c5h8o h 8c 5o 1 0g 300.00 5000.00 1000.00 1 ! 0.28765120E+02-0.40103286E-02 0.46303558E-05-0.11915642E-08 0.98408193E-13 2 ! -0.24650348E+05-0.12765497E+03 0.23376644E+01 0.42054661E-01-0.13922064E-04 3 ! -0.31572278E-08 0.11148194E-11-0.14783113E+05 0.18511770E+02 4 ! thf h 8c 4o 1 0g 300.00 5000.00 1000.00 1 ! 0.23757185E+02 0.44541480E-02-0.70761706E-06 0.62502593E-10-0.24871073E-14 2 ! -0.32715215E+05-0.12577740E+03-0.25902164E+00 0.51401675E-01-0.28168019E-04 3 ! 0.45222128E-08 0.66051318E-13-0.24147939E+05 0.53996420E+01 4 ! thf-2j h 7c 4o 1 0g 300.00 5000.00 1000.00 1 ! 0.23603611E+02 0.24076267E-02-0.20726984E-06 0.97522875E-11-0.16383162E-15 2 ! -0.12308764E+05-0.10584325E+03 0.21764401E+00 0.50224174E-01-0.33139539E-04 3 ! 0.10494285E-07-0.19811431E-11-0.40785842E+04 0.21351290E+02 4 ! thf-3j h 7c 4o 1 0g 300.00 5000.00 1000.00 1 ! 0.23628096E+02 0.23929442E-02-0.20577043E-06 0.97968430E-11-0.17630317E-15 2 ! -0.11056362E+05-0.10597357E+03 0.20597160E+00 0.50337281E-01-0.33198587E-04 3 ! 0.10374728E-07-0.18935563E-11-0.28213577E+04 0.21391171E+02 4 ! chchchco 3/ 1/11 ThERMc 4h 3o 1 0G 300.000 5000.000 1386.000 21 ! 1.20533819E+01 7.92450348E-03-2.80995565E-06 4.46917489E-10-2.63695234E-14 2 ! 2.80063620E+04-3.63705907E+01 1.12579895E+00 3.69139419E-02-3.34272881E-05 3 ! 1.55128949E-08-2.88502256E-12 3.15055711E+04 2.11762171E+01 4 ! chcchco 3/ 1/11 ThERMc 4h 2o 1 0G 300.000 5000.000 1385.000 21 ! 1.10774315E+01 6.14288301E-03-2.18074558E-06 3.47112521E-10-2.04918153E-14 2 ! 1.90803175E+04-3.17518520E+01 2.42176288E+00 2.91498326E-02-2.65236533E-05 3 ! 1.23431681E-08-2.29911023E-12 2.18471099E+04 1.38141231E+01 4 ! chcchcho 3/ 1/11 ThERMc 4h 3o 1 0G 300.000 5000.000 1386.000 21 ! 1.05809887E+01 8.98565008E-03-3.13143760E-06 4.92246340E-10-2.88058780E-14 2 ! 2.91681416E+04-2.36647379E+01 3.02079164E+00 2.77226416E-02-2.18925793E-05 3 ! 9.44068900E-09-1.70741994E-12 3.17619105E+04 1.66845081E+01 4 ! ch2chco c 3h 3o 1 g 0300.00 5000.00 1000.00 1 ! !<< ch2chco burcat c 3h 3o 1 0g 300.000 5000.000 1399.000 01 1.00700000E+01 5.41333333E-03-8.13333333E-07 0.00000000E+00 0.00000000E+00 2 ! !<< 8.05879513e+00 8.41574111e-03-2.71140677e-06 4.03456779e-10-2.26972095e-14 2 0.42395300E+04-0.24684083E+02 6.88339998E-01 2.96916174E-02-2.44631000E-05 3 ! !<< 7.63082562e+03-1.26580575e+01 6.79715602e+00 1.06999686e-02-4.36180712e-06 3 1.08326433E-08-2.07947369E-12 0.61454999E+04 0.22487821E+02 4 ! !<< 1.03285546e-09-1.34218501e-13 8.18362689e+03-5.56756773e+00 4 chcch2cho 3/ 1/11 ThERMc 4h 4o 1 0G 300.000 5000.000 1728.000 21 ! -1.26864491E+01 4.34469455E-02-1.68972883E-05 2.41428802E-09-1.04371665E-13 2 ! 1.55853662E+04 1.07448088E+02-8.19463701E+00 8.61484024E-02-1.11304158E-04 3 ! 6.41846685E-08-1.30140697E-11 8.53575478E+03 6.36589793E+01 4 ! chchcho 3/ 1/11 ThERMc 3h 3o 1 0G 300.000 5000.000 1496.000 21 ! 1.40274386E+01 5.22846559E-03-2.23478054E-06 4.00168265E-10-2.55864404E-14 2 ! 1.35203927E+04-5.15571568E+01 5.03275031E+00-1.42815819E-03 3.65750764E-05 3 ! -3.15699043E-08 7.78756682E-12 1.94359294E+04 6.62463387E+00 4 ! !version: THERMOCHEMISTRY FOR 2,4-CYCLOHEXADIENONE ISOMERIZATION TO PHENOL !authors: FROM SIRJEAN 2,5-DMF 2013 chde241obirad h 6c 6o 1 0g 300.00 5000.00 1000.00 1 1.29477098e+01 2.29561419e-02-9.04009236e-06 1.62697941e-09-1.09926556e-13 2 1.11453135e+04-4.36673754e+01-3.09441857e+00 6.54439954e-02-4.51760938e-05 3 8.39799570e-09 2.75801557e-12 1.57053108e+04 3.97332162e+01 4 h135te1o h 6c 6o 1 0g 300.00 5000.00 1000.00 1 1.29578235e+01 2.26250460e-02-8.82118260e-06 1.57632125e-09-1.05953738e-13 2 6.68821391e+03-4.01930040e+01-2.34704877e-01 5.95911195e-02-4.58564794e-05 3 1.57566175e-08-1.07363655e-12 1.03760485e+04 2.79861992e+01 4 bcyc-3.1.0-h3e6o h 6c 6o 1 0g 300.00 5000.00 1000.00 1 1.25203541e+01 2.33459038e-02-9.18902363e-06 1.65324342e-09-1.11676170e-13 2 7.88245899e+03-4.30352501e+01-5.06683896e+00 7.23011104e-02-5.56817290e-05 3 1.58820980e-08 7.32318945e-13 1.27461613e+04 4.77690100e+01 4 !authors: FROM K.P. SOMERS chde241obirad h 6c 6o 1 g 298.150 2000.000 1000.00 1 5.16034503e+00 4.24748929e-02-2.58200105e-05 7.78729543e-09-9.41560660e-13 2 1.22128848e+04-2.90159020e+00-4.44062901e+00 7.69966549e-02-7.17794523e-05 3 3.45447891e-08-6.66040055e-12 1.43271863e+04 4.43880932e+01 4 bcyc-3.1.0-h3e6o h 6c 6o 1 g 298.150 2000.000 1000.00 1 4.41726242e+00 4.35693186e-02-2.66008546e-05 8.07202889e-09-9.83454522e-13 2 8.92837600e+03 8.91253407e-01-5.98101178e+00 8.14833951e-02-7.79534389e-05 3 3.86280647e-08-7.70270840e-12 1.11919819e+04 5.19766707e+01 4 h135te1o h 6c 6o 1 g 298.150 2000.000 1000.00 1 6.12836691e+00 3.95946366e-02-2.32487682e-05 6.81261848e-09-8.05086369e-13 2 7.45337651e+03-3.63683264e+00-7.13286275e-01 6.50784712e-02-5.86503530e-05 3 2.85308969e-08-5.76396143e-12 8.91584606e+03 2.98408837e+01 4 !version: THERMOCHEMISTRY FOR SMALLER KETONES AND KETENES FORMED FROM DMF AND 2MF !authors: FROM K.P. SOMERS !ch2chchco c 4h 4o 1 0g 200.000 6000.000 1000.00 1 ! ! 9.74850463e+00 1.37125055e-02-5.05430099e-06 8.25446463e-10-4.97385204e-14 2 ! !-1.55172564e+03-2.40662801e+01 2.45069796e+00 2.60086795e-02 1.37550849e-06 3 ! !-2.17962924e-08 1.11438235e-11 8.71446510e+02 1.55762929e+01 2.73246650e+03 4 ! ch2chchco c 4h 4o 1 g 298.000 2000.000 1000.00 1 ! 0.46928523e+01 0.25064913e-01-0.14217036e-04 0.40382139e-08-0.46363310e-12 2 ! 0.13197188e+04 0.32220355e+01 0.50303873e+00 0.40794967e-01-0.36268316e-04 3 ! 0.17709867e-07-0.36242462e-11 0.22091416e+04 0.23692764e+02 4 ! ch2chch2cho h 6c 4o 1 0g 300.00 5000.00 1000.00 1 ! 0.22456690E+02-0.31388914E-02 0.37456257E-05-0.97553354E-09 0.81010712E-13 2 ! -0.18993061E+05-0.93100601E+02 0.28180408E+01 0.31063564E-01-0.10727809E-04 3 ! -0.13454388E-08 0.47401959E-12-0.11617286E+05 0.15617702E+02 4 ! ch2ch2chco c 4h 5o 1 g 298.000 2000.000 1000.00 1 ! 5.21971672E+00 2.78607435e-02-1.56976955e-05 4.45113829e-09-5.13467010e-13 2 ! 1.27351979E+04 1.54669993e+00 1.29313587e+00 4.31650500e-02-3.80511299e-05 3 ! 1.89514110E-08-4.03803096e-12 1.35406149e+04 2.05906870e+01 4 ! ch2chch2co c 4h 5o 1 g 298.000 2000.000 1000.00 1 ! 5.04611628E+00 2.68488457e-02-1.38576853e-05 3.40270356e-09-3.14696092e-13 2 ! 7.66294261E+03 2.36968192e+00 1.15042011e+00 3.81297004e-02-2.43260725e-05 3 ! 6.07969839E-09 9.15376890e-14 8.65717834e+03 2.22396465e+01 4 ! ch2cchco h 3c 4o 1 g 298.150 2000.000 1000.00 1 ! 4.97964641E+00 2.24786401E-02-1.38217421E-05 4.30072032E-09-5.45025339E-13 2 ! 2.80535115E+04 2.74189646E+00 1.61974723E+00 3.69595790E-02-3.71051639E-05 3 ! 2.08643438E-08-4.94626676E-12 2.86734242E+04 1.86911322E+01 4 ! ch2chcco h 3c 4o 1 g 298.150 2000.000 1000.00 1 ! 4.75526503E+00 2.23409564E-02-1.33990308E-05 4.04875284E-09-4.96699162E-13 2 ! 2.38704749E+04 4.24116850E+00 1.55671090E+00 3.46233396E-02-3.10548557E-05 3 ! 1.53074694E-08-3.18341998E-12 2.45357774E+04 1.98003016E+01 4 ! mvk 2/19/13 thermc 4h 6o 1 0g 300.000 5000.000 1386.000 21 ! 1.24733848e+01 1.50352956e-02-5.22282420e-06 8.19312246e-10-4.78792734e-14 2 ! -1.99199306e+04-4.03591350e+01 3.97643003e-01 4.18707972e-02-2.80427553e-05 3 ! 9.73752121e-09-1.40986778e-12-1.55400370e+04 2.50650129e+01 4 ! mjvk 2/19/13 thermc 4h 5o 1 0g 300.000 5000.000 1393.000 11 ! 1.32655761e+01 1.22019221e-02-4.23722638e-06 6.64610702e-10-3.88368358e-14 2 ! 2.12715575e+03-4.39505559e+01 2.61603854e-01 4.50208476e-02-3.67601421e-05 3 ! 1.56207259e-08-2.70282547e-12 6.41946895e+03 2.50577820e+01 4 ! mvjk-s 2/19/13 thermc 4h 5o 1 0g 300.000 5000.000 1379.000 11 ! 1.20829634e+01 1.33349756e-02-4.65653124e-06 7.33023509e-10-4.29400621e-14 2 ! 3.78427443e+03-3.68389244e+01 2.65484516e+00 3.19137874e-02-1.76561524e-05 3 ! 4.45142957e-09-3.80974573e-13 7.45925683e+03 1.51134076e+01 4 ! mvjk-p 2/19/13 thermc 4h 5o 1 0g 300.000 5000.000 1382.000 21 ! 1.23912778e+01 1.27323046e-02-4.46770041e-06 7.05572626e-10-4.14248008e-14 2 ! 8.50957374e+03-3.82840461e+01 1.33890540e+00 3.84118902e-02-2.81468066e-05 3 ! 1.10923310e-08-1.85826300e-12 1.24543151e+04 2.12804923e+01 4 ! b23o1j 11/27/12 thermc 4h 5o 2 0g 300.000 5000.000 1379.000 21 1.47843973e+01 1.33519173e-02-4.70683016e-06 7.45733186e-10-4.38839210e-14 2 -2.44976179e+04-4.92077195e+01 1.81886472e+00 4.03685008e-02-2.49351106e-05 3 7.04973830e-09-6.95018588e-13-1.96738874e+04 2.15773887e+01 4 pr12o 11/27/12 thermc 3h 4o 2 0g 300.000 5000.000 1373.000 21 1.18377936e+01 1.06832643e-02-3.76864788e-06 5.97374721e-10-3.51655013e-14 2 -3.80693117e+04-3.53976752e+01 1.97192949e+00 3.01085469e-02-1.67791836e-05 3 3.73805387e-09-1.49790837e-13-3.42864928e+04 1.88652981e+01 4 pr12o1j 11/27/12 thermc 3h 3o 2 0g 300.000 5000.000 1378.000 21 1.12735441e+01 8.53005972e-03-3.00584312e-06 4.76106491e-10-2.80119089e-14 2 -1.98962074e+04-3.15518420e+01 3.00961286e+00 2.63548623e-02-1.73416768e-05 3 5.60529311e-09-7.20790918e-13-1.68633224e+04 1.33822436e+01 4 p134te1o c 5h 4o 1 g 298.000 2000.000 1000.00 1 ! 0.55601599E+01 0.29164464E-01-0.17586914E-04 0.53434621E-08-0.65806795E-12 2 ! 0.18463624E+05 0.23715224E+00 0.80342677E+00 0.49222620E-01-0.49220983E-04 3 ! 0.27464065E-07-0.64460245E-11 0.19363409E+05 0.22927834E+02 4 ! p134te1o-c c 5h 4o 1 g 298.000 2000.000 1000.00 1 ! 0.55601599E+01 0.29164464E-01-0.17586914E-04 0.53434621E-08-0.65806795E-12 2 ! 0.18463624E+05 0.23715224E+00 0.80342677E+00 0.49222620E-01-0.49220983E-04 3 ! 0.27464065E-07-0.64460245E-11 0.19363409E+05 0.22927834E+02 4 ! p134te1o-t c 5h 4o 1 g 298.000 2000.000 1000.00 1 ! 0.42746991E+01 0.27741052E-01-0.13292065E-04 0.29051918E-08-0.22767505E-12 2 ! 0.18408148E+05 0.52958958E+01-0.16622005E+00 0.49690943E-01-0.52496222E-04 3 ! 0.33227511E-07-0.88548083E-11 0.19087021E+05 0.25674210E+02 4 ! b3e2oj 10/28/11 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 ! -8.35029850e+02-5.52937859e+01-1.60619192e+00 5.58562682e-02-4.35595767e-05 3 ! 1.70589279e-08-2.65635180e-12 4.74521630e+03 3.47112559e+01 4 ! c#ccho 12/ 3/12 thermc 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 p4e1o2j 2/13/13 thermc 5h 7o 1 0g 300.000 5000.000 1454.000 21 1.77729957e+01 1.65337942e-02-5.95186607e-06 9.56177639e-10-5.68125958e-14 2 -2.57816346e+03-6.52147404e+01 2.91135294e+00 3.33803640e-02 1.66640421e-06 3 -1.39220298e-08 4.41692139e-12 4.22672280e+03 2.07069772e+01 4 !version: THERMOCHEMISTRY FOR UNSATURATED HYDROCARBONS FROM DIMETHYLFURAN MECHANISM !authors: FROM THERM K.P. SOMERS p23de 11/12/12 thermc 5h 8 0 0g 300.000 5000.000 1381.000 21 1.36397691e+01 1.83319306e-02-6.18838945e-06 9.52719105e-10-5.49638817e-14 2 9.14485065e+03-4.82309955e+01 1.52480941e+00 4.30718776e-02-2.41304373e-05 3 6.23104577e-09-5.31831161e-13 1.37153380e+04 1.81099287e+01 4 p12de 11/12/12 thermc 5h 8 0 0g 300.000 5000.000 1389.000 21 1.41523809e+01 1.77375018e-02-5.95081282e-06 9.12448992e-10-5.24962911e-14 2 1.02710939e+04-5.10997109e+01 7.09753771e-02 4.97890167e-02-3.34344720e-05 3 1.14770463e-08-1.59042429e-12 1.52210158e+04 2.47850163e+01 4 b12de3m 11/12/12 thermc 5h 8 0 0g 300.000 5000.000 1388.000 21 1.37093177e+01 1.85726726e-02-6.33115904e-06 9.80719059e-10-5.68099894e-14 2 8.59518752e+03-4.88749621e+01 1.27860173e+00 4.54917474e-02-2.82334169e-05 3 8.98449372e-09-1.17220042e-12 1.31637341e+04 1.87039373e+01 4 lc6h6 11/12/12 thermc 6h 6 0 0g 300.000 5000.000 1397.000 11 1.59075771e+01 1.48214446e-02-5.08804556e-06 7.91815242e-10-4.60135831e-14 2 4.04374489e+04-5.89088555e+01 3.62435249e-01 5.75026916e-02-5.14662934e-05 3 2.40370984e-08-4.49482930e-12 4.52542547e+04 2.24115843e+01 4 p2y 11/12/12 thermc 5h 8 0 0g 300.000 5000.000 2014.000 31 1.09599252e+01 2.28319224e-02-8.40974277e-06 1.37601580e-09-8.28974160e-14 2 9.41986644e+03-3.23498943e+01 2.42940562e+00 3.41737334e-02-8.33238046e-06 3 -3.25785609e-09 1.32901785e-12 1.30903371e+04 1.63607987e+01 4 p2y4j 11/13/12 c 5h 7 0 0g 300.000 5000.000 1375.000 21 1.22946715e+01 1.78494893e-02-6.21866716e-06 9.77349710e-10-5.71855694e-14 2 2.65430991e+04-3.79922904e+01 2.65751302e+00 3.41266762e-02-1.43562676e-05 3 1.53407680e-09 2.76858866e-13 3.06328331e+04 1.61783429e+01 4 c4h6-1 7/14/11 thermc 4h 6 0 0g 300.000 5000.000 1365.000 21 1.08459156e+01 1.41764618e-02-4.99614539e-06 7.91304300e-10-4.65508308e-14 2 1.44024355e+04-3.41536387e+01 2.67557212e+00 2.69069101e-02-9.86727879e-06 3 6.63878457e-13 4.94968590e-13 1.79976713e+04 1.21885731e+01 4 chcchch3 h 5c 4 g 298.150 2000.000 1000.00 1 ! 4.33941823e+00 2.29593768e-02-1.18745700e-05 3.04517639e-09-3.12801495e-13 2 ! 3.60936055e+04 5.03250926e+00 1.58249410e+00 3.34984821e-02-2.69503411e-05 3 ! 1.26070992e-08-2.58113439e-12 3.66694199e+04 1.84552223e+01 4 ! chcchch3 11/ 9/11 thermc 4h 5 0 0g 300.000 5000.000 1358.000 11 1.06743799e+01 1.22505033e-02-4.34444351e-06 6.90994026e-10-4.07704597e-14 2 3.13913784e+04-3.45806692e+01 2.32800873e+00 2.49345299e-02-8.11151431e-06 3 -1.28525759e-09 8.46558229e-13 3.50354139e+04 1.27720788e+01 4 chcch2ch2 11/ 9/11 thermc 4h 5 0 0g 300.000 5000.000 2015.000 21 8.87241166e+00 1.40772223e-02-5.18569954e-06 8.48556641e-10-5.11235388e-14 2 4.03366090e+04-1.99219569e+01 3.59900579e+00 2.11316555e-02-5.23112501e-06 3 -1.95151561e-09 8.07311518e-13 4.26020838e+04 1.01758354e+01 4 ch2ccch2 7/14/11 thermc 4h 4 0 0g 300.000 5000.000 1396.000 01 1.02228106e+01 9.78691343e-03-3.33077233e-06 5.15406033e-10-2.98347504e-14 2 3.61853649e+04-3.08475571e+01 1.51938759e+00 3.16432460e-02-2.48251111e-05 3 1.03048367e-08-1.75504171e-12 3.90650550e+04 1.53704305e+01 4 p124te 7/14/11 thermc 5h 6 0 0g 300.000 5000.000 1398.000 11 ! 1.36234973e+01 1.41804316e-02-4.85916357e-06 7.55241553e-10-4.38485363e-14 2 ! 2.41046968e+04-4.77391810e+01-7.00373149e-01 5.35244052e-02-4.76642572e-05 3 ! 2.22443691e-08-4.16311088e-12 2.85461332e+04 2.71943762e+01 4 ! c#ccjcc 11/22/12 thermc 5h 7 0 0g 300.000 5000.000 1395.000 21 1.34948823e+01 1.64016970e-02-5.62286259e-06 8.74185207e-10-5.07635160e-14 2 2.98686134e+04-4.55378116e+01 9.46857683e-01 4.66216967e-02-3.42300166e-05 3 1.35291019e-08-2.24059951e-12 3.41879756e+04 2.16180373e+01 4 p1y4e 11/26/12 thermc 5h 6 0 0g 300.000 5000.000 1390.000 11 1.26566127e+01 1.53097371e-02-5.31812618e-06 8.34209166e-10-4.87460920e-14 2 2.65956811e+04-4.30151505e+01-9.02291346e-01 4.86868040e-02-3.79749105e-05 3 1.58725038e-08-2.76130543e-12 3.12137061e+04 2.93345282e+01 4 b13de2m 12/18/12 thermc 5h 8 0 0g 300.000 5000.000 1388.000 21 1.48970796e+01 1.71471335e-02-5.76042196e-06 8.84398507e-10-5.09389746e-14 2 2.02823721e+03-5.59565510e+01-7.02362048e-01 5.66641061e-02-4.52474046e-05 3 1.92628287e-08-3.37061905e-12 7.17845785e+03 2.68009510e+01 4 b13de2mj 12/18/12 thermc 5h 7 0 0g 300.000 5000.000 1396.000 11 1.55262623e+01 1.43946935e-02-4.78959780e-06 7.30601356e-10-4.18914661e-14 2 2.02122976e+04-5.93890950e+01-1.78792836e+00 6.29633011e-02-5.80950189e-05 3 2.74642276e-08-5.13298377e-12 2.54128740e+04 3.07192353e+01 4 b1e2m3j 11/29/12 thermc 5h 9 0 0g 300.000 5000.000 1388.000 21 1.43758957e+01 2.02496812e-02-6.84870397e-06 1.05566125e-09-6.09527548e-14 2 5.05561181e+03-5.34476860e+01-9.64635217e-01 5.40237239e-02-3.45005325e-05 3 1.10396749e-08-1.39812799e-12 1.05757115e+04 2.96499418e+01 4 b1e2m4j 11/29/12 thermc 5h 9 0 0g 300.000 5000.000 1392.000 31 1.41319072e+01 1.97522538e-02-6.61481407e-06 1.01262907e-09-5.81819124e-14 2 1.33340810e+04-4.77089697e+01 8.79858678e-02 5.24815525e-02-3.59347901e-05 3 1.30596645e-08-1.97494095e-12 1.82306627e+04 2.77627940e+01 4 b1e3m3j 11/29/12 thermc 5h 9 0 0g 300.000 5000.000 1383.000 31 1.42650128e+01 2.05588175e-02-7.09204485e-06 1.10751704e-09-6.45223366e-14 2 5.07988099e+03-5.35112916e+01-8.65992916e-01 5.17270209e-02-3.02467285e-05 3 8.32887965e-09-8.26876928e-13 1.07819674e+04 2.92843387e+01 4 b1e3mj 11/29/12 thermc 5h 9 0 0g 300.000 5000.000 1386.000 31 1.46790683e+01 1.91850584e-02-6.40675586e-06 9.79631743e-10-5.62627429e-14 2 1.34617177e+04-5.13695310e+01-7.70096190e-01 5.57843906e-02-3.99409164e-05 3 1.51540268e-08-2.38613286e-12 1.87888633e+04 3.14449409e+01 4 b1e3m3oj 12/ 3/12 thermc 5h 9o 1 0g 300.000 5000.000 1383.000 31 1.83538918e+01 1.89052962e-02-6.37566105e-06 9.81637009e-10-5.66586729e-14 2 -6.68557168e+03-7.05395486e+01 1.11872308e+00 5.90166246e-02-4.20541963e-05 3 1.54587494e-08-2.32331240e-12-6.97093885e+02 2.20602546e+01 4 b2e3m1oj 12/ 3/12 thermc 5h 9o 1 0g 300.000 5000.000 1359.000 31 1.62026418e+01 2.21938819e-02-7.82017089e-06 1.23841738e-09-7.28467212e-14 2 -4.58800727e+03-5.82477397e+01 5.35227260e+00 3.45222598e-02-4.79934904e-06 3 -6.33221530e-09 2.13143371e-12 6.57996895e+02 4.94267070e+00 4 b1e2m3oj 12/ 3/12 thermc 5h 9o 1 0g 300.000 5000.000 1381.000 31 1.73739881e+01 2.09818886e-02-7.35188344e-06 1.15992064e-09-6.80522502e-14 2 -5.65785635e+03-6.51368027e+01 7.98814481e-01 5.85332377e-02-4.11455904e-05 3 1.57264169e-08-2.59689897e-12 3.87691112e+02 2.45888033e+01 4 b2e2m1oj 12/ 3/12 thermc 5h 9o 1 0g 300.000 5000.000 1359.000 31 1.62026418e+01 2.21938819e-02-7.82017089e-06 1.23841738e-09-7.28467212e-14 2 -4.58800727e+03-5.82477397e+01 5.35227260e+00 3.45222598e-02-4.79934904e-06 3 -6.33221530e-09 2.13143371e-12 6.57996895e+02 4.94267070e+00 4 ic4h7-v 12/ 3/12 thermc 4h 7 0 0g 300.000 5000.000 1377.000 21 1.16836913e+01 1.50294331e-02-5.08139880e-06 7.83491835e-10-4.52607499e-14 2 2.20824580e+04-3.82188813e+01 1.29537891e+00 3.72850511e-02-2.30670934e-05 3 7.38007888e-09-9.84862647e-13 2.59419284e+04 1.83733230e+01 4 p13de1j 12/13/12 thermc 5h 7 0 0g 300.000 5000.000 1389.000 21 1.43676393e+01 1.51875082e-02-5.11240132e-06 7.85949902e-10-4.53096515e-14 2 3.22704260e+04-5.08239841e+01-2.65603577e-01 5.33899838e-02-4.46001583e-05 3 1.97683938e-08-3.56869556e-12 3.69958958e+04 2.64183705e+01 4 p1y 2/ 8/13 thermc 5h 8 0 0g 300.000 5000.000 1383.000 21 1.35193062e+01 1.93247539e-02-6.71964220e-06 1.05466811e-09-6.16501968e-14 2 1.06837519e+04-4.67438855e+01 7.49699873e-01 4.81867727e-02-3.30223981e-05 3 1.27084618e-08-2.15676205e-12 1.53960905e+04 2.24848137e+01 4 !version: AROMATIC MECHANISM !authors: FROM METCALFE AND DRYER p13de 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 ! 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 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 c 6h 5o 1 g 298.000 2000.000 1000.00 1 !xu/lin c6h5oh decomposition paper> !!! c6h5o t05/02c 6.h 5.o 1. 0.g 200.000 6000.000 1000. 1 ! 4.99383535e+00 3.89905774e-02-2.38177452e-05 7.18421554e-09-8.63839588e-13 2 !xu/lin c6h5oh decomposition paper> !!! 1.37221720e+01 1.74688771e-02-6.35504520e-06 1.03492308e-09-6.23410504e-14 2 ! 4.17130113e+03-2.74194072e+00-5.10376402e+00 7.47483558e-02-7.05054844e-05 3 !xu/lin c6h5oh decomposition paper> !!! 2.87274751e+02-4.88181680e+01-4.66204455e-01 4.13443975e-02 1.32412991e-05 3 ! 3.36767559e-08-6.32881993e-12 6.42245196e+03 4.71312940e+01 4 !xu/lin c6h5oh decomposition paper> !!! -5.72872769e-08 2.89763707e-11 4.77858391e+03 2.76990274e+01 6.49467016e+03 4 ! c6h6 g 6/01c 6.h 6. 0. 0.g 200.000 6000.000 1000. 1 1.10809576e+01 2.07176746e-02-7.52145991e-06 1.22320984e-09-7.36091279e-14 2 4.30641035e+03-4.00413310e+01 5.04818632e-01 1.85020642e-02 7.38345881e-05 3 -1.18135741e-07 5.07210429e-11 8.55247913e+03 2.16412893e+01 9.96811598e+03 4 c6h5 t04/02c 6.h 5. 0. 0.g 200.000 6000.000 1000. 1 1.08444762e+01 1.73212473e-02-6.29233249e-06 1.02369961e-09-6.16216828e-14 2 3.55598475e+04-3.53735134e+01 2.10306633e-01 2.04745507e-02 5.89743006e-05 3 -1.01534255e-07 4.47105660e-11 3.95468722e+04 2.52910455e+01 4.08610970e+04 4 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 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 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 c6h5cho 5/16/90 thermc 7h 6o 1 0g 300.000 5000.000 1386.000 11 1.74024893e+01 1.89508317e-02-6.58694307e-06 1.03413046e-09-6.04793155e-14 2 -1.31418522e+04-6.83371315e+01-2.37082285e+00 6.28843128e-02-4.26460754e-05 3 1.39416083e-08-1.74474949e-12-6.11656186e+03 3.85478773e+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 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 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 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 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 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 c5h4oh t 8/99c 5.h 5.o 1. 0.g 200.000 6000.000 1000. 1 1.33741248e+01 1.51996469e-02-5.45685046e-06 8.80944866e-10-5.27493258e-14 2 2.20358027e+03-4.59569069e+01-1.28398054e+00 4.90298511e-02-1.35844414e-05 3 -2.92983743e-08 1.90820619e-11 6.37364803e+03 3.08073591e+01 8.00114499e+03 4 c5h4o t 8/99c 5.h 4.o 1. 0.g 200.000 6000.000 1000. 1 1.00806824e+01 1.61143465e-02-5.83314509e-06 9.46759320e-10-5.68972206e-14 2 1.94364771e+03-2.94521623e+01 2.64576497e-01 3.34873827e-02 1.67738470e-06 3 -2.96207455e-08 1.54431476e-11 5.11159287e+03 2.35409513e+01 6.64245999e+03 4 c5h5o 5/16/90 thermc 5h 5o 1 0g 300.000 5000.000 1392.000 01 1.48322894e+01 1.40483376e-02-4.92302051e-06 7.77041219e-10-4.56103939e-14 2 1.45523665e+04-5.73228191e+01-2.83112840e+00 5.67277287e-02-4.44757303e-05 3 1.74924447e-08-2.76004847e-12 2.04992154e+04 3.69634411e+01 4 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 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 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 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 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 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 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 cpe21cjo c 6h 7o 1 g 298.000 2000.000 1000.00 1 ! Cyclopent-2-ene-1-Carbaldehyde radical on aldehyde (CJ*O)> 0.52002526e+01 0.41087468e-01-0.21636910e-04 0.53922053e-08-0.50488776e-12 2 ! Cyclopent-2-ene-1-Carbaldehyde radical on aldehyde (CJ*O)> 0.62795162e+04 0.58914103e+00-0.25240637e+01 0.62569626e-01-0.39737485e-04 3 ! Cyclopent-2-ene-1-Carbaldehyde radical on aldehyde (CJ*O)> 0.80441479e-08 0.11859035e-11 0.82951349e+04 0.40208279e+02 4 ! Cyclopent-2-ene-1-Carbaldehyde radical on aldehyde (CJ*O)> 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 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 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 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*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 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 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 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 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 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 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 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 hoc6h4ch3 4/ 3/ 9 thermc 7h 8o 1 0g 300.000 5000.000 1401.000 21 2.09408940e+01 2.04158480e-02-7.04323518e-06 1.09988219e-09-6.40750543e-14 2 -2.53662901e+04-8.94615089e+01-5.82611270e+00 9.52301991e-02-8.89715399e-05 3 4.21339354e-08-7.87119970e-12-1.72848417e+04 4.99599069e+01 4 oc6h4ch3 4/ 3/ 9 thermc 7h 7o 1 0g 300.000 5000.000 1397.000 11 2.01201234e+01 1.92615275e-02-6.70631566e-06 1.05375828e-09-6.16537629e-14 2 -6.25384510e+03-8.37677746e+01-4.86830769e+00 8.65534607e-02-7.79033413e-05 3 3.57350223e-08-6.52685773e-12 1.55181196e+03 4.73058730e+01 4 c6h4ch3 4/ 3/ 9 c 7h 7 0 0g 300.000 5000.000 1392.000 11 1.51868807e+01 2.07534924e-02-7.18581880e-06 1.12478745e-09-6.56301043e-14 2 2.87394118e+04-5.74266771e+01-2.84709387e+00 6.34053501e-02-4.64583503e-05 3 1.79160616e-08-2.87030132e-12 3.49999521e+04 3.93252209e+01 4 c6h5ch2oo 3/ 4/94 the.mc 7h 7o 2 0g 300.000 5000.000 1389.000 21 2.18946260e+01 2.02701494e-02-7.14525361e-06 1.13208570e-09-6.66220534e-14 2 3.93272947e+03-8.95685129e+01-3.77863659e+00 8.29484718e-02-6.64288143e-05 3 2.69504875e-08-4.41844689e-12 1.25603231e+04 4.73269747e+01 4 bzcooh 3/ 4/94 the.mc 7h 8o 2 0g 300.000 5000.000 1390.000 31 2.21951256e+01 2.19901041e-02-7.70452728e-06 1.21574282e-09-7.13427270e-14 2 -1.43966742e+04-9.07483698e+01-3.39515159e+00 8.45306884e-02-6.70634097e-05 3 2.72113250e-08-4.48289693e-12-5.78730853e+03 4.57078979e+01 4 c6h5ch2o 4/14/94 the.mc 7h 7o 1 0g 300.000 5000.000 1392.000 1 1.78843033e+01 2.09011735e-02-7.21832713e-06 1.12839851e-09-6.57955260e-14 2 4.93182818e+03-7.01304667e+01-4.77736690e+00 7.51049308e-02-5.68532831e-05 3 2.18290029e-08-3.38134298e-12 1.26234438e+04 5.10429366e+01 4 c6h5ch2oh 3/ 8/90 c 7h 8o 1 0g 300.000 5000.000 1396.000 21 1.81575155e+01 2.26620146e-02-7.79454113e-06 1.21491074e-09-7.06883434e-14 2 -2.13319736e+04-7.19512787e+01-3.72475901e+00 7.42375044e-02-5.41481788e-05 3 2.01178934e-08-3.02199053e-12-1.38224993e+04 4.53342817e+01 4 hoc6h4ch2 4/ 3/ 9 c 7h 7o 1 0g 300.000 5000.000 1402.000 11 2.17284618e+01 1.76293589e-02-6.08300560e-06 9.50072743e-10-5.53543698e-14 2 -6.69606412e+03-9.33418136e+01-5.63197903e+00 9.80964869e-02-9.82672860e-05 3 4.87967928e-08-9.40191047e-12 1.17027222e+03 4.77626938e+01 4 c6h5c2h5 c 8h 10 0 0g 300.000 5000.000 1397.000 21 2.02816724e+01 2.59464082e-02-8.92667064e-06 1.39161163e-09-8.09786280e-14 2 -6.88695837e+03-8.65892579e+01-5.93600077e+00 8.94618416e-02-6.81230510e-05 3 2.66103734e-08-4.21398102e-12 1.94317497e+03 5.33309542e+01 4 c6h5c2h3 trc tables c 8h 8 0 0g 300.000 5000.000 1400.000 11 1.94675525e+01 2.19916239e-02-7.56672249e-06 1.17967158e-09-6.86483959e-14 2 8.16106600e+03-8.19394370e+01-5.75443698e+00 8.70398896e-02-7.28533682e-05 3 3.12720079e-08-5.39379278e-12 1.62673706e+04 5.12775455e+01 4 c14h14 3/19/ 9 thermc 14h 14 0 0g 300.000 5000.000 1397.000 31 3.45703166e+01 3.81757891e-02-1.30119616e-05 2.01694176e-09-1.16936941e-13 2 -1.18127204e+02-1.59744284e+02-1.13836981e+01 1.53953882e-01-1.25354767e-04 3 5.17441987e-08-8.54872684e-12 1.48227672e+04 8.37777034e+01 4 c14h13 3/19/ 9 thermc 14h 13 0 0g 300.000 5000.000 1396.000 21 3.47417341e+01 3.59337719e-02-1.22450631e-05 1.89794621e-09-1.10038037e-13 2 1.74795959e+04-1.61420726e+02-9.29192717e+00 1.47032767e-01-1.20211860e-04 3 4.97625178e-08-8.23851673e-12 3.17775915e+04 7.18644702e+01 4 c14h12 3/19/ 9 thermc 14h 12 0 0g 300.000 5000.000 1397.000 21 3.32102692e+01 3.56298722e-02-1.23336159e-05 1.93073037e-09-1.12678018e-13 2 1.27147671e+04-1.53412616e+02-9.31596441e+00 1.44390141e-01-1.20631407e-04 3 5.15297757e-08-8.85124801e-12 2.64875194e+04 7.15504888e+01 4 c14h12ooh 3/19/ 9 thermc 14h 13o 2 0g 300.000 5000.000 1394.000 41 4.02968908e+01 3.71210431e-02-1.30088643e-05 2.05309245e-09-1.20495552e-13 2 3.67900543e+03-1.86479334e+02-8.32529422e+00 1.61762848e-01-1.37724101e-04 3 5.95672829e-08-1.03363053e-11 1.94259748e+04 7.06782085e+01 4 c14h11 3/19/ 9 thermc 14h 11 0 0g 300.000 5000.000 1395.000 11 3.27609182e+01 3.39480669e-02-1.17667240e-05 1.84362057e-09-1.07661574e-13 2 2.92915217e+04-1.51883228e+02-6.70772425e+00 1.32788823e-01-1.07842007e-04 3 4.47787253e-08-7.50278981e-12 4.22802338e+04 5.76442987e+01 4 c14h13ooh 3/19/ 9 thermc 14h 14o 2 0g 300.000 5000.000 1395.000 51 4.01427062e+01 3.93395367e-02-1.37664348e-05 2.17056135e-09-1.27304368e-13 2 -1.39277882e+04-1.84904308e+02-1.04261530e+01 1.68709899e-01-1.42892982e-04 3 6.15601039e-08-1.06485940e-11 2.47291567e+03 8.26365480e+01 4 c14h13oo 3/19/ 9 thermc 14h 13o 2 0g 300.000 5000.000 1394.000 41 3.76701265e+01 3.91886728e-02-1.36838688e-05 2.15430957e-09-1.26216113e-13 2 4.38748283e+03-1.69872607e+02-9.53800906e+00 1.60095043e-01-1.34982895e-04 3 5.84090458e-08-1.01919995e-11 1.97390228e+04 7.99308597e+01 4 c14h13o 3/19/ 9 thermc 14h 13o 1 0g 300.000 5000.000 1397.000 31 3.62205336e+01 3.75634484e-02-1.29678295e-05 2.02688785e-09-1.18180078e-13 2 5.74597621e+03-1.65590808e+02-1.19190739e+01 1.59861239e-01-1.33105430e-04 3 5.60228564e-08-9.42896323e-12 2.13328544e+04 8.92151705e+01 4 c6h5cho 5/16/90 thermc 7h 6o 1 0g 300.000 5000.000 1386.000 11 1.74024893e+01 1.89508317e-02-6.58694307e-06 1.03413046e-09-6.04793155e-14 2 -1.31418522e+04-6.83371315e+01-2.37082285e+00 6.28843128e-02-4.26460754e-05 3 1.39416083e-08-1.74474949e-12-6.11656186e+03 3.85478773e+01 4 c6h5co therm c 7h 5o 1 0g 300.000 5000.000 1392.000 11 1.75116258e+01 1.62650511e-02-5.65051892e-06 8.86922680e-10-5.18657990e-14 2 4.67641545e+03-6.70531966e+01-1.56729686e+00 5.99817511e-02-4.29153585e-05 3 1.48666854e-08-1.98938453e-12 1.12873830e+04 3.55490009e+01 4 c14h12o2h-1o2 9/ 9 thermc 14h 13o 4 0g 300.000 5000.000 1391.000 71 4.48785960e+01 3.75685709e-02-1.32824040e-05 2.10858085e-09-1.24255944e-13 2 -9.97231472e+03-2.04041648e+02-9.40646930e+00 1.77878119e-01-1.55260847e-04 3 6.84418245e-08-1.20655066e-11 7.52457116e+03 8.27128410e+01 4 c14h11o-1o2h 19/ 9 thermc 14h 12o 3 0g 300.000 5000.000 1393.000 41 4.03057402e+01 3.72594407e-02-1.30902950e-05 2.06942373e-09-1.21596482e-13 2 -2.78034193e+04-1.82398868e+02-7.77794671e+00 1.57347464e-01-1.29564931e-04 3 5.40605490e-08-9.07699935e-12-1.19364337e+04 7.29984559e+01 4 hoc6h4ch2ooh 7/ 9 thermc 7h 8o 3 0g 300.000 5000.000 1400.000 41 2.69433208e+01 1.98821379e-02-6.93248136e-06 1.09047819e-09-6.38542299e-14 2 -3.68197020e+04-1.15455122e+02-4.27079330e+00 1.06702301e-01-1.01178433e-04 3 4.78041859e-08-8.86088235e-12-2.74014110e+04 4.72010210e+01 4 hoc6h4ch2oo 7/ 9 thermc 7h 7o 3 0g 300.000 5000.000 1399.000 31 2.44885871e+01 1.96975788e-02-6.83424042e-06 1.07136180e-09-6.25824039e-14 2 -1.85023219e+04-1.00503843e+02-3.30404252e+00 9.78488428e-02-9.29726683e-05 3 4.44795179e-08-8.36613586e-12-1.01504226e+04 4.41069184e+01 4 hoc6h4cho 4/ 7/ 9 thermc 7h 6o 2 0g 300.000 5000.000 1406.000 21 2.37586619e+01 1.47270064e-02-4.93265699e-06 7.56306242e-10-4.35377695e-14 2 -3.62468602e+04-1.01187561e+02-4.84031481e+00 9.73663695e-02-9.68302168e-05 3 4.68381956e-08-8.74560771e-12-2.80359046e+04 4.65623414e+01 4 hoc6h4co 4/ 7/ 9 thermc 7h 5o 2 0g 300.000 5000.000 1407.000 11 2.36196074e+01 1.29565163e-02-4.36676042e-06 6.72106801e-10-3.87861042e-14 2 -1.85293338e+04-1.01120435e+02-2.64255595e+00 9.00208969e-02-9.13086471e-05 3 4.48102851e-08-8.45769190e-12-1.10970627e+04 3.41553760e+01 4 hoc6h4ch2o 4/ 7/ 9 thermc 7h 7o 2 0g 300.000 5000.000 1404.000 21 2.27674826e+01 1.87580416e-02-6.44936609e-06 1.00501306e-09-5.84671446e-14 2 -1.70289222e+04-9.48170837e+01-4.96646915e+00 9.69128605e-02-9.21049352e-05 3 4.37042315e-08-8.11979451e-12-8.78398897e+03 4.93062368e+01 4 hoc6h4cho 4/ 7/ 9 thermc 7h 6o 2 0g 300.000 5000.000 1406.000 21 2.37586619e+01 1.47270064e-02-4.93265699e-06 7.56306242e-10-4.35377695e-14 2 -3.62468602e+04-1.01187561e+02-4.84031481e+00 9.73663695e-02-9.68302168e-05 3 4.68381956e-08-8.74560771e-12-2.80359046e+04 4.65623414e+01 4 c6h5choh 4/ 7/ 9 thermc 7h 7o 1 0g 300.000 5000.000 1387.000 11 1.78569190e+01 2.09573785e-02-7.24304900e-06 1.13265871e-09-6.60549919e-14 2 -4.17588783e+03-7.06626700e+01-8.38120574e-01 6.14070680e-02-3.92598636e-05 3 1.20153611e-08-1.37758038e-12 2.60021186e+03 3.08209316e+01 4 c6h5chch3 4/ 3/ 9 thermc 8h 9 0 0g 300.000 5000.000 1395.000 11 2.03767475e+01 2.34923061e-02-8.02742753e-06 1.24595589e-09-7.22895395e-14 2 1.07287463e+04-8.69308644e+01-3.62245458e+00 8.22327387e-02-6.34562719e-05 3 2.51893798e-08-4.05353192e-12 1.87480811e+04 4.09318172e+01 4 c6h5cch2 4/ 3/ 9 thermc 8h 7 0 0g 300.000 5000.000 1387.000 11 1.92154972e+01 2.02185937e-02-7.07970746e-06 1.11666465e-09-6.55073301e-14 2 2.44567929e+04-8.09621525e+01-1.75677703e+00 6.93776528e-02-5.15140526e-05 3 1.96075933e-08-3.05640961e-12 3.17432364e+04 3.16482133e+01 4 c6h5ch2ch2 4/ 7/ 9 c 8h 9 0 0g 300.000 5000.000 1397.000 11 1.97367479e+01 2.34359910e-02-7.88460514e-06 1.21151657e-09-6.98141943e-14 2 1.82775793e+04-7.90373183e+01-5.03883577e+00 8.49439879e-02-6.65114973e-05 3 2.66531641e-08-4.29645325e-12 2.64218438e+04 5.25744447e+01 4 c6h5chch 4/ 3/ 9 thermc 8h 7 0 0g 300.000 5000.000 1397.000 11 1.90927875e+01 1.98909822e-02-6.86981799e-06 1.07370754e-09-6.25902921e-14 2 3.82661147e+04-7.72000251e+01-3.64383962e+00 7.85604460e-02-6.60358335e-05 3 2.85738243e-08-4.98068485e-12 4.55975302e+04 4.29246209e+01 4 !version: aramcomech_1.0 !authors: w. k. metcalfe, s. burke, h. j. curran !website: http://c3.nuigalway.ie/ 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 4/ 9/98 thermc 1h 4o 3 0g 300.000 5000.000 1422.000 31 1.16303827e+01 7.15133688e-03-2.39035030e-06 3.65772791e-10-2.10199524e-14 2 -4.31079242e+04-3.24276725e+01 1.85716693e+00 3.23153132e-02-2.69928902e-05 3 1.11694484e-08-1.81284103e-12-4.00314471e+04 1.90917729e+01 4 hoch2o2 4/ 9/98 thermc 1h 3o 3 0g 300.000 5000.000 1412.000 21 9.04545938e+00 7.15223373e-03-2.37005676e-06 3.60083481e-10-2.05750228e-14 2 -2.49414886e+04-1.74210530e+01 2.85441621e+00 2.33663535e-02-1.88115990e-05 3 7.96709515e-09-1.36346618e-12-2.29866196e+04 1.51730565e+01 4 och2o2h 4/ 9/98 thermc 1h 3o 3 0g 300.000 5000.000 1420.000 21 1.15398246e+01 5.34291432e-03-1.81878917e-06 2.81968625e-10-1.63584348e-14 2 -1.68237489e+04-3.20700633e+01 1.93823075e+00 3.01465730e-02-2.61053152e-05 3 1.09463562e-08-1.78312692e-12-1.38166625e+04 1.85042002e+01 4 hoch2o 2/16/99 thermc 1h 3o 2 0g 300.000 5000.000 1452.000 11 6.39521515e+00 7.43673043e-03-2.50422354e-06 3.84879712e-10-2.21778689e-14 2 -2.41108840e+04-6.63865583e+00 4.11183145e+00 7.53850697e-03 3.77337370e-06 3 -5.38746005e-09 1.45615887e-12-2.28023001e+04 7.46807254e+00 4 ch3oh t06/02c 1h 4 o 1 0 g 200.000 6000.00 1000.00 1 3.52726795e+00 1.03178783e-02-3.62892944e-06 5.77448016e-10-3.42182632e-14 2 -2.60028834e+04 5.16758693e+00 5.65851051e+00-1.62983419e-02 6.91938156e-05 3 -7.58372926e-08 2.80427550e-11-2.56119736e+04-8.97330508e-01-2.41746056e+04 4 ch2oh iu2/03c 1 h 3 o 1 0 g 200.000 6000.00 1000.00 1 5.09314370e+00 5.94761260e-03-2.06497460e-06 3.23008173e-10-1.88125902e-14 2 -4.03409640e+03-1.84691493e+00 4.47834367e+00-1.35070310e-03 2.78484980e-05 3 -3.64869060e-08 1.47907450e-11-3.50072890e+03 3.30913500e+00-2.04462770e+03 4 ch3o iu1/03c 1 h 3 o 1 0 g 200.000 6000.00 1000.00 1 4.75779238e+00 7.44142474e-03-2.69705176e-06 4.38090504e-10-2.63537098e-14 2 3.78111940e+02-1.96680028e+00 3.71180502e+00-2.80463306e-03 3.76550971e-05 3 -4.73072089e-08 1.86588420e-11 1.29569760e+03 6.57240864e+00 2.52571660e+03 4 ch3o2h a 7/05c 1 h 4 o 2 0 g 200.000 6000.00 1000.00 1 7.76538058e+00 8.61499712e-03-2.98006935e-06 4.68638071e-10-2.75339255e-14 2 -1.82979984e+04-1.43992663e+01 2.90540897e+00 1.74994735e-02 5.28243630e-06 3 -2.52827275e-08 1.34368212e-11-1.68894632e+04 1.13741987e+01-1.52423685e+04 4 ch3o2 h 3c 1o 2 0g 300.00 5000.00 1000.00 1 4.80390863e+00 9.95844638e-03-3.85301026e-06 6.84740497e-10-4.58402955e-14 2 -7.47135460e+02 1.45281400e+00 3.62497097e+00 3.59397933e-03 2.26538097e-05 3 -2.95391947e-08 1.11977570e-11 7.93040410e+01 9.96382194e+00 4 ch2o2h 1/14/ 5 thermc 1h 3o 2 0g 300.000 5000.000 1357.000 21 9.10784249e+00 5.27260434e-03-1.88170543e-06 3.00561364e-10-1.77865959e-14 2 3.77440183e+03-2.11741044e+01 4.47228333e+00 1.33401095e-02-5.92919725e-06 3 4.44481025e-10 2.12699899e-13 5.67413711e+03 4.72608208e+00 4 ch4 g 8/99c 1 h 4 0 0 g 200.000 6000.00 1000.00 1 1.65326226e+00 1.00263099e-02-3.31661238e-06 5.36483138e-10-3.14696758e-14 2 -1.00095936e+04 9.90506283e+00 5.14911468e+00-1.36622009e-02 4.91453921e-05 3 -4.84246767e-08 1.66603441e-11-1.02465983e+04-4.63848842e+00-8.97226656e+03 4 ch3 iu0702c 1 h 3 0 0 g 200.000 6000.00 1000.00 1 0.29781206e+01 0.57978520e-02-0.19755800e-05 0.30729790e-09-0.17917416e-13 2 0.16509513e+05 0.47224799e+01 0.36571797e+01 0.21265979e-02 0.54583883e-05 3 -0.66181003e-08 0.24657074e-11 0.16422716e+05 0.16735354e+01 0.17643935e+05 4 ch2 iu3/03c 1 h 2 0 0 g 200.000 6000.00 1000.00 1 3.14631886e+00 3.03671259e-03-9.96474439e-07 1.50483580e-10-8.57335515e-15 2 4.60412605e+04 4.72341711e+00 3.71757846e+00 1.27391260e-03 2.17347251e-06 3 -3.48858500e-09 1.65208866e-12 4.58723866e+04 1.75297945e+00 4.70504920e+04 4 ch2(s) iu6/03c 1 h 2 0 0 g 200.000 6000.00 1000.00 1 3.13501686e+00 2.89593926e-03-8.16668090e-07 1.13572697e-10-6.36262835e-15 2 5.05040504e+04 4.06030621e+00 4.19331325e+00-2.33105184e-03 8.15676451e-06 3 -6.62985981e-09 1.93233199e-12 5.03662246e+04-7.46734310e-01 5.15727280e+04 4 ch iu3/03c 1 h 1 0 0 g 200.000 6000.00 1000.00 1 0.25209369e+01 0.17653639e-02-0.46147660e-06 0.59289675e-10-0.33474501e-14 2 0.70946769e+05 0.74051829e+01 0.34897583e+01 0.32432160e-03-0.16899751e-05 3 0.31628420e-08-0.14061803e-11 0.70612646e+05 0.20842841e+01 0.71658188e+05 4 ch* 073003c 1h 1 g 0300.00 5000.00 1000.00 1 0.02196223e+02 0.02340381e-01-0.07058201e-05 0.09007582e-09-0.03855040e-13 2 0.10419559e+06 0.09178373e+02 0.03200202e+02 0.02072875e-01-0.05134431e-04 3 0.05733890e-07-0.01955533e-10 0.10393714e+06 0.03331587e+02 4 c l 7/88c 1 0 0 0g 200.000 6000.00 1000.00 1 0.26055830e+01-0.19593434e-03 0.10673722e-06-0.16423940e-10 0.81870580e-15 2 0.85411742e+05 0.41923868e+01 0.25542395e+01-0.32153772e-03 0.73379223e-06 3 -0.73223487e-09 0.26652144e-12 0.85442681e+05 0.45313085e+01 0.86195097e+05 4 c2h6 g 8/88c 2h 6 0 0g 200.000 6000.00 1000.00 1 4.04666411e+00 1.53538802e-02-5.47039485e-06 8.77826544e-10-5.23167531e-14 2 -1.24473499e+04-9.68698313e-01 4.29142572e+00-5.50154901e-03 5.99438458e-05 3 -7.08466469e-08 2.68685836e-11-1.15222056e+04 2.66678994e+00-1.00849652e+04 4 c2h5 8/ 4/ 4 thermc 2h 5 0 0g 300.000 5000.000 1387.000 11 5.88784390e+00 1.03076793e-02-3.46844396e-06 5.32499257e-10-3.06512651e-14 2 1.15065499e+04-8.49651771e+00 1.32730217e+00 1.76656753e-02-6.14926558e-06 3 -3.01143466e-10 4.38617775e-13 1.34284028e+04 1.71789216e+01 4 c2h4 g 1/00c 2 h 4 0 0 g 200.000 6000.00 1000.00 1 3.99182724e+00 1.04833908e-02-3.71721342e-06 5.94628366e-10-3.53630386e-14 2 4.26865851e+03-2.69081762e-01 3.95920063e+00-7.57051373e-03 5.70989993e-05 3 -6.91588352e-08 2.69884190e-11 5.08977598e+03 4.09730213e+00 6.31426266e+03 4 c2h3 atct/ac 2 h 3 0 0 g 200.000 6000.00 1000.00 1 4.15026763e+00 7.54021341e-03-2.62997847e-06 4.15974048e-10-2.45407509e-14 2 3.38566380e+04 1.72812235e+00 3.36377642e+00 2.65765722e-04 2.79620704e-05 3 -3.72986942e-08 1.51590176e-11 3.44749589e+04 7.91510092e+00 3.56701718e+04 4 c2h2 g 1/91c 2 h 2 0 0 g 200.000 6000.00 1000.00 1 4.65878489e+00 4.88396667e-03-1.60828888e-06 2.46974544e-10-1.38605959e-14 2 2.57594042e+04-3.99838194e+00 8.08679682e-01 2.33615762e-02-3.55172234e-05 3 2.80152958e-08-8.50075165e-12 2.64289808e+04 1.39396761e+01 2.74459950e+04 4 c2h t 5/10c 2 h 1 0 0 g 200.000 6000.00 1000.00 1 3.66270248e+00 3.82492252e-03-1.36632500e-06 2.13455040e-10-1.23216848e-14 2 6.71683790e+04 3.92205792e+00 2.89867676e+00 1.32988489e-02-2.80733327e-05 3 2.89484755e-08-1.07502351e-11 6.70616050e+04 6.18547632e+00 6.83210436e+04 4 ch3cho l 8/88c 2 h 4 o 1 0 g 200.000 6000.00 1000.00 1 0.54041108e+01 0.11723059e-01-0.42263137e-05 0.68372451e-09-0.40984863e-13 2 -0.22593122e+05-0.34807917e+01 0.47294595e+01-0.31932858e-02 0.47534921e-04 3 -0.57458611e-07 0.21931112e-10-0.21572878e+05 0.41030159e+01-0.19987949e+05 4 ch3co iu2/03c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 0.53137165e+01 0.91737793e-02-0.33220386e-05 0.53947456e-09-0.32452368e-13 2 -0.36450414e+04-0.16757558e+01 0.40358705e+01 0.87729487e-03 0.30710010e-04 3 -0.39247565e-07 0.15296869e-10-0.26820738e+04 0.78617682e+01-0.12388039e+04 4 ch2cho t03/10c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 6.53928338e+00 7.80238629e-03-2.76413612e-06 4.42098906e-10-2.62954290e-14 2 -1.18858659e+03-8.72091393e+00 2.79502600e+00 1.01099472e-02 1.61750645e-05 3 -3.10303145e-08 1.39436139e-11 1.62944975e+02 1.23646657e+01 1.53380440e+03 4 ch2co h 2c 2o 1 0g 300.00 5000.00 1000.00 1 5.35869367e+00 6.95641586e-03-2.64802637e-06 4.65067592e-10-3.08641820e-14 2 -7.90294013e+03-3.98525731e+00 1.81422511e+00 1.99008590e-02-2.21416008e-05 3 1.45028521e-08-3.98877068e-12-7.05394926e+03 1.36079359e+01 4 hcco t 4/09h 1 c 2 o 1 0 g 200.000 6000.00 1000.00 1 5.91479333e+00 3.71408730e-03-1.30137010e-06 2.06473345e-10-1.21476759e-14 2 1.93596301e+04-5.50567269e+00 1.87607969e+00 2.21205418e-02-3.58869325e-05 3 3.05402541e-08-1.01281069e-11 2.01633840e+04 1.36968290e+01 2.14444387e+04 4 hccoh t12/09c 2 h 2 o 1 0 g 200.000 6000.00 1000.00 1 6.37509678e+00 5.49429011e-03-1.88136576e-06 2.93803536e-10-1.71771901e-14 2 8.93277676e+03-8.24498007e+00 2.05541154e+00 2.52003372e-02-3.80821654e-05 3 3.09890632e-08-9.89799902e-12 9.76872113e+03 1.22271534e+01 1.12217316e+04 4 ch3co3h 6/26/95 thermc 2h 4o 3 0g 300.000 5000.000 1391.000 31 1.25060485e+01 9.47789695e-03-3.30402246e-06 5.19630793e-10-3.04233568e-14 2 -4.59856703e+04-3.79195947e+01 2.24135876e+00 3.37963514e-02-2.53887482e-05 3 9.67583587e-09-1.49266157e-12-4.24677831e+04 1.70668133e+01 4 ch3co3 4/ 3/ 0 thermc 2h 3o 3 0g 300.000 5000.000 1391.000 21 1.12522498e+01 8.33652672e-03-2.89014530e-06 4.52781734e-10-2.64354456e-14 2 -2.60238584e+04-2.96370457e+01 3.60373432e+00 2.70080341e-02-2.08293438e-05 3 8.50541104e-09-1.43846110e-12-2.34205171e+04 1.12014914e+01 4 ch3co2 2/14/95 thermc 2h 3o 2 0g 300.000 5000.000 1395.000 11 8.54059736e+00 8.32951214e-03-2.84722010e-06 4.41927196e-10-2.56373394e-14 2 -2.97290678e+04-2.03883545e+01 1.37440768e+00 2.49115604e-02-1.74308894e-05 3 6.24799508e-09-9.09516835e-13-2.72330150e+04 1.81405454e+01 4 c2h5oh l 8/88c 2 h 6 o 1 0 g 200.000 6000.00 1000.00 1 0.65624365e+01 0.15204222e-01-0.53896795e-05 0.86225011e-09-0.51289787e-13 2 -0.31525621e+05-0.94730202e+01 0.48586957e+01-0.37401726e-02 0.69555378e-04 3 -0.88654796e-07 0.35168835e-10-0.29996132e+05 0.48018545e+01-0.28257829e+05 4 pc2h4oh t12/01c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 7.02824536e+00 1.20037746e-02-4.21306455e-06 6.69471213e-10-3.96371893e-14 2 -5.92493321e+03-9.40355948e+00 4.47893092e+00 7.59782301e-03 2.81794908e-05 3 -4.26953487e-08 1.78878934e-11-4.71446256e+03 6.38921206e+00-2.86833500e+03 4 sc2h4oh t10/04c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.35842302e+00 1.24356276e-02-4.33096839e-06 6.84530381e-10-4.03713238e-14 2 -9.37900432e+03-6.05106112e+00 4.22283250e+00 5.12174798e-03 3.48386522e-05 3 -4.91943637e-08 2.01183723e-11-8.20503939e+03 8.01675700e+00-6.49827831e+03 4 c2h5o iu2/03c 2 h 5 o 1 0 g 200.000 6000.00 1000.00 1 0.66889982e+01 0.13125676e-01-0.47038840e-05 0.75858552e-09-0.45413306e-13 2 -0.47457832e+04-0.96983755e+01 0.43074268e+01 0.64147205e-02 0.31139714e-04 3 -0.43314083e-07 0.17276184e-10-0.34027524e+04 0.59025837e+01-0.16357022e+04 4 o2c2h4oh 2/14/95 thermc 2h 5o 3 0g 300.000 5000.000 1392.000 31 1.07432659e+01 1.30957787e-02-4.45370088e-06 6.88548738e-10-3.98230113e-14 2 -2.55911274e+04-2.33254953e+01 4.11839445e+00 2.72240632e-02-1.60824430e-05 3 5.17033408e-09-7.31610168e-13-2.30857785e+04 1.28482112e+01 4 c2h5o2h 1/14/ 5 thermc 2h 6o 2 0g 300.000 5000.000 1391.000 31 1.12305737e+01 1.20482120e-02-3.96730201e-06 6.00754632e-10-3.42657803e-14 2 -2.47977531e+04-3.25607232e+01 1.57329011e+00 3.52379996e-02-2.53203993e-05 3 9.56802476e-09-1.48167375e-12-2.15278368e+04 1.90472032e+01 4 c2h5o2 t10/10c 2 h 5 o 2 0 g 200.000 6000.00 1000.00 1 8.88872432e+00 1.35833179e-02-4.91116949e-06 7.92343362e-10-4.73525704e-14 2 -7.44107388e+03-1.90789836e+01 4.50099327e+00 6.87965342e-03 4.74143971e-05 3 -6.92287127e-08 2.87395324e-11-5.39547911e+03 7.91490068e+00-3.45206633e+03 4 c2h4o2h 1/14/ 5 thermc 2h 5o 2 0g 300.000 5000.000 1397.000 31 1.05228954e+01 9.48091381e-03-3.55727763e-06 6.41445994e-10-4.21232247e-14 2 1.55718322e+03-2.31413632e+01 3.46916874e+00 2.71188626e-02-2.08022550e-05 3 8.44284845e-09-1.40756215e-12 3.89688270e+03 1.43400726e+01 4 ch3cho2h 1/14/ 5 thermc 2h 5o 2 0g 300.000 5000.000 1385.000 31 1.06284708e+01 1.01662327e-02-3.34915963e-06 5.07257146e-10-2.89352540e-14 2 -2.15391230e+03-2.60363030e+01 3.91433011e+00 2.52722102e-02-1.62112291e-05 3 5.45591592e-09-7.57965290e-13 2.38044573e+02 1.02327238e+01 4 c2h4o1-2 l 8/88c 2 h 4 o 1 0 g 200.000 6000.00 1000.00 1 0.54887641e+01 0.12046190e-01-0.43336931e-05 0.70028311e-09-0.41949088e-13 2 -0.91804251e+04-0.70799605e+01 0.37590532e+01-0.94412180e-02 0.80309721e-04 3 -0.10080788e-06 0.40039921e-10-0.75608143e+04 0.78497475e+01-0.63304657e+04 4 c2h3o1-2 a 1/05c 2 h 3 o 1 0 g 200.000 6000.00 1000.00 1 5.60158035e+00 9.17613962e-03-3.28028902e-06 5.27903888e-10-3.15362241e-14 2 1.71446252e+04-5.47228512e+00 3.58349017e+00-6.02275805e-03 6.32426867e-05 3 -8.18540707e-08 3.30444505e-11 1.85681353e+04 9.59725926e+00 1.97814471e+04 4 ch3coch3 atct ac 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 7.29796974e+00 1.75656913e-02-6.31678065e-06 1.02025553e-09-6.10903592e-14 2 -2.95368927e+04-1.27591704e+01 5.55638920e+00-2.83863547e-03 7.05722951e-05 3 -8.78130984e-08 3.40290951e-11-2.78325393e+04 2.31960221e+00-2.58360384e+04 4 ch3coch2 a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 7.54410697e+00 1.43443222e-02-5.08381081e-06 8.13200521e-10-4.83673315e-14 2 -7.48672286e+03-1.14792587e+01 4.70187196e+00 5.51653762e-03 4.27505858e-05 3 -5.94680816e-08 2.40685378e-11-5.92845491e+03 7.12932590e+00-4.00985747e+03 4 ch3coch2o2 2/14/95 c 3h 5o 3 0g 300.000 5000.000 1379.00 31 1.27690342e+01 1.42554828e-02-4.92821461e-06 7.70448921e-10-4.49110534e-14 2 -2.34798669e+04-3.27155799e+01 5.95535468e+00 2.70255205e-02-1.37385031e-05 3 3.53735851e-09-4.03922557e-13-2.06679464e+04 5.21436049e+00 4 ch3coch2o2h 2/14/95 c 3h 6o 3 0g 300.000 5000.000 1381.00 41 1.52372810e+01 1.44114651e-02-5.01290009e-06 7.87071229e-10-4.60225784e-14 2 -4.27564444e+04-4.77383784e+01 4.94789761e+00 3.60474432e-02-2.21719933e-05 3 6.98296874e-09-9.21269260e-13-3.88687178e+04 8.49926130e+00 4 ch3coch2o 4/ 3/ 0 thermc 3h 5o 2 0g 300.000 5000.000 1370.000 21 1.14637586e+01 1.32124342e-02-4.56580495e-06 7.13897538e-10-4.16281047e-14 2 -2.23833017e+04-3.15127868e+01 3.72927689e+00 2.63943697e-02-1.09796486e-05 3 8.58185303e-10 3.39474590e-13-1.91551565e+04 1.18505335e+01 4 c2h3cho 6/26/95 thermc 3h 4o 1 0g 300.000 5000.000 1393.000 11 1.04184959e+01 9.48963321e-03-3.29310529e-06 5.16279203e-10-3.01587291e-14 2 -1.49630281e+04-3.07235061e+01 2.92355162e-01 3.54321417e-02-2.94936324e-05 3 1.28100124e-08-2.26144108e-12-1.16521584e+04 2.28878280e+01 4 c2h3co 4/ 3/ 0 thermc 3h 3o 1 0g 300.000 5000.000 1402.000 01 9.37467676e+00 7.91296900e-03-2.67198280e-06 4.11115430e-10-2.36978981e-14 2 1.92969514e+03-2.40892696e+01 1.36242013e+00 3.15273972e-02-3.00218935e-05 3 1.48167112e-08-2.87971530e-12 4.25770215e+03 1.72626546e+01 4 c2h5cho t05/10c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 7.44085690e+00 1.77301764e-02-6.34081568e-06 1.02040803e-09-6.09461714e-14 2 -2.60055814e+04-1.44195446e+01 4.24529681e+00 6.68296706e-03 4.93337933e-05 3 -6.71986124e-08 2.67262347e-11-2.41473007e+04 6.90738560e+00-2.22688471e+04 4 c2h5co a10/04c 3 h 5 o 1 0 g 200.000 6000.00 1000.00 1 6.52325448e+00 1.54211952e-02-5.50898157e-06 8.85889862e-10-5.28846399e-14 2 -7.19631634e+03-5.19862218e+00 6.25722402e+00-9.17612184e-03 7.61190493e-05 3 -9.05514997e-08 3.46198215e-11-5.91616484e+03 2.23330599e+00-3.94851891e+03 4 ch2ch2cho 8/10/ 4 thermc 3h 5o 1 0g 300.000 5000.000 1363.000 21 9.96855598e+00 1.61917946e-02-6.64161740e-06 1.15444520e-09-7.21981790e-14 2 -4.16450354e+03-2.73971573e+01 8.36272659e+00-3.90712606e-03 3.59751257e-05 3 -2.69209237e-08 5.98920261e-12-7.55243244e+02-9.53140102e+00 4 ch3chcho 8/10/ 4 thermc 3h 5o 1 0g 300.000 5000.000 1253.000 21 8.27772090e+00 1.95687188e-02-8.47575089e-06 1.53249728e-09-9.86441542e-14 2 -8.34456062e+03-2.17652483e+01-2.72811212e+00 3.80354483e-02-1.96782132e-05 3 5.09554570e-09-7.28789092e-13-3.51122739e+03 4.04496677e+01 4 ch3och3 1/20/11 c 2h 6o 1 0g 300.000 5000.000 1367.000 21 7.36358679e+00 1.38910153e-02-4.74083257e-06 7.34874498e-10-4.25867578e-14 2 -2.61148074e+04-1.61332876e+01 2.41860337e+00 1.87279640e-02-1.40894592e-06 3 -4.28367822e-09 1.36818123e-12-2.36771735e+04 1.28877967e+01 4 ch3och2 1/20/11 c 2h 5o 1 0g 300.000 5000.000 1389.000 21 6.73134670e+00 1.18022530e-02-4.00104434e-06 6.17227325e-10-3.56435023e-14 2 -3.34933412e+03-9.40782513e+00 2.19172957e+00 1.90390966e-02-6.81450700e-06 3 8.63577609e-11 3.23902492e-13-1.38948253e+03 1.62440756e+01 4 ch3och2o2 1/20/11 c 2h 5o 3 0g 300.000 5000.000 1399.000 31 1.22024149e+01 1.19225104e-02-4.06624713e-06 6.30079576e-10-3.65065312e-14 2 -2.40327175e+04-3.38665462e+01 1.72101041e+00 3.78155492e-02-2.89668870e-05 3 1.16796117e-08-1.93234479e-12-2.05308597e+04 2.19296296e+01 4 ch2och2o2h 1/20/11 c 2h 5o 3 0g 300.000 5000.000 1419.000 41 1.51031233e+01 9.18263324e-03-3.15895361e-06 4.92789411e-10-2.87001298e-14 2 -1.96611854e+04-4.85172618e+01 9.08332173e-01 4.47997444e-02-3.69441578e-05 3 1.48366604e-08-2.32279459e-12-1.50992319e+04 2.66419885e+01 4 ch3och2o2h 1/20/11 c 2h 6o 3 0g 300.000 5000.000 1402.000 41 1.46617126e+01 1.20544674e-02-4.13604704e-06 6.43721637e-10-3.74188832e-14 2 -4.18896186e+04-4.81293252e+01 7.37369081e-01 4.67410003e-02-3.73051936e-05 3 1.50735309e-08-2.43781978e-12-3.73260287e+04 2.57932851e+01 4 ch3och2o 2/ 9/96 thermc 2h 5o 2 0g 300.000 5000.000 2012.000 21 8.60261845e+00 1.35772195e-02-4.84661602e-06 7.77766193e-10-4.62633624e-14 2 -2.13762444e+04-1.75775023e+01 3.25889339e+00 2.22146359e-02-7.78556340e-06 3 -2.41484158e-10 4.51914496e-13-1.92377212e+04 1.23680069e+01 4 o2ch2och2o2h 1/20/11 c 2h 5o 5 0g 300.000 5000.000 1411.000 51 1.96207800e+01 9.96131702e-03-3.41480475e-06 5.31364852e-10-3.08902100e-14 2 -3.98679641e+04-6.72721405e+01-1.22579809e-01 6.64376755e-02-6.55340609e-05 3 3.13441786e-08-5.79042960e-12-3.41530358e+04 3.49112501e+01 4 ho2ch2ocho 1/20/11 c 2h 4o 4 0g 300.000 5000.000 1428.000 41 1.78528337e+01 7.54042388e-03-2.74895624e-06 4.45343367e-10-2.66154007e-14 2 -6.41380252e+04-6.47357373e+01 5.15432996e-01 4.76081860e-02-3.63877925e-05 3 1.24225089e-08-1.50813145e-12-5.82730214e+04 2.81992694e+01 4 och2ocho 1/20/11 c 2h 3o 3 0g 300.000 5000.000 1426.000 21 1.24378042e+01 7.82259106e-03-2.82874305e-06 4.55808935e-10-2.71391601e-14 2 -4.44526361e+04-3.85337353e+01 3.92797655e+00 1.85731220e-02-4.14656828e-07 3 -6.94060480e-09 2.32311215e-12-4.07070844e+04 1.02048630e+01 4 hoch2oco 8/31/99 thermc 2h 3o 3 0g 300.000 5000.000 1603.000 31 1.13737391e+01 8.17663898e-03-2.92034021e-06 4.66695616e-10-2.76276823e-14 2 -4.65575743e+04-2.86035265e+01 6.08180801e+00 1.28768359e-02 2.04419418e-06 3 -6.10154921e-09 1.79820559e-12-4.39526183e+04 2.54054449e+00 4 ch3ocho t 6/08c 2 h 4 o 2 0 g 200.000 6000.00 1000.00 1 6.33360880e+00 1.34851485e-02-4.84305805e-06 7.81719241e-10-4.67917447e-14 2 -4.68316521e+04-6.91542601e+00 5.96757028e+00-9.38085425e-03 7.07648417e-05 3 -8.29932227e-08 3.13522917e-11-4.55713267e+04 7.50341113e-01-4.37330508e+04 4 ch3oco t10/07c 2 h 3 o 2 0 g 200.000 6000.00 1000.00 1 7.00171955e+00 1.01977290e-02-3.65621800e-06 5.89475086e-10-3.52561321e-14 2 -2.26135780e+04-9.05267669e+00 4.75563598e+00 7.80915313e-03 1.62272935e-05 3 -2.41210787e-08 9.42644561e-12-2.15157456e+04 4.78096491e+00-1.96506108e+04 4 ch2ocho 4/15/ 8 thermc 2h 3o 2 0g 300.000 5000.000 1442.000 21 1.00960096e+01 7.19887066e-03-2.59813465e-06 4.18110812e-10-2.48723387e-14 2 -2.36389018e+04-2.71144175e+01 2.31031671e+00 1.80474065e-02-2.71519637e-06 3 -4.60918579e-09 1.70037078e-12-2.02910878e+04 1.71549722e+01 4 he g 5/97he 1 0 0 0 g 200.000 6000.00 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 9.28723974e-01 2.50000000e+00 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-7.45375000e+02 9.28723974e-01 0.00000000e+00 4 c3h8 g 2/00c 3 h 8 0 0 g 200.000 6000.00 1000.00 1 6.66919760e+00 2.06108751e-02-7.36512349e-06 1.18434262e-09-7.06914630e-14 2 -1.62754066e+04-1.31943379e+01 4.21093013e+00 1.70886504e-03 7.06530164e-05 3 -9.20060565e-08 3.64618453e-11-1.43810883e+04 5.61004451e+00-1.25900384e+04 4 nc3h7 a 5/05c 3 h 7 0 0 g 200.000 6000.00 1000.00 1 6.49636579e+00 1.77337992e-02-6.24898046e-06 9.95389495e-10-5.90199770e-14 2 8.85973885e+03-8.56389710e+00 4.08211458e+00 5.23240341e-03 5.13554466e-05 3 -6.99343598e-08 2.81819493e-11 1.04074558e+04 8.39534919e+00 1.21859256e+04 4 ic3h7 a 5/05c 3 h 7 0 0 g 200.000 6000.00 1000.00 1 5.30597255e+00 1.89854588e-02-6.74315384e-06 1.07993730e-09-6.42785036e-14 2 7.78748910e+03-2.23233935e+00 5.47421257e+00-8.42536682e-03 8.04607759e-05 3 -9.49287824e-08 3.59830971e-11 9.04939013e+03 3.40542323e+00 1.08473019e+04 4 c3h6 g 2/00c 3 h 6 0 0 g 200.000 6000.00 1000.00 1 6.03870234e+00 1.62963931e-02-5.82130800e-06 9.35936829e-10-5.58603143e-14 2 -7.41715057e+02-8.43825992e+00 3.83464468e+00 3.29078952e-03 5.05228001e-05 3 -6.66251176e-08 2.63707473e-11 7.88717123e+02 7.53408013e+00 2.40543339e+03 4 c3h5-a pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.65007877e+01 0.14324731e-01-0.56781632e-05 0.11080801e-08-0.90363887e-13 2 0.17482449e+05-0.11243050e+02 0.13631835e+01 0.19813821e-01 0.12497060e-04 3 -0.33355555e-07 0.15846571e-10 0.19245629e+05 0.17173214e+02 4 c3h5-t pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.54255528e+01 0.15511072e-01-0.56678350e-05 0.79224388e-09-0.16878034e-13 2 0.27843027e+05-0.33527184e+01 0.17329209e+01 0.22394620e-01-0.51490611e-05 3 -0.67596466e-08 0.38253211e-11 0.29040498e+05 0.16568878e+02 4 c3h5-s pd5/98c 3h 5 0 0g 300.000 3000.00 1000.00 1 0.53725281e+01 0.15780509e-01-0.59922850e-05 0.93089664e-09-0.36550966e-13 2 0.29614760e+05-0.34186478e+01 0.91372931e+00 0.26432343e-01-0.11758950e-04 3 -0.23035678e-08 0.27715488e-11 0.30916867e+05 0.19989269e+02 4 c3h4-a l 8/89c 3 h 4 0 0 g 200.000 6000.00 1000.00 1 0.63168722e+01 0.11133728e-01-0.39629378e-05 0.63564238e-09-0.37875540e-13 2 0.20117495e+05-0.10995766e+02 0.26130445e+01 0.12122575e-01 0.18539880e-04 3 -0.34525149e-07 0.15335079e-10 0.21541567e+05 0.10226139e+02 0.22962267e+05 4 c3h4-p t 2/90h 4 c 3 0 0 g 200.000 6000.00 1000.00 1 0.60252400e+01 0.11336542e-01-0.40223391e-05 0.64376063e-09-0.38299635e-13 2 0.19620942e+05-0.86043785e+01 0.26803869e+01 0.15799651e-01 0.25070596e-05 3 -0.13657623e-07 0.66154285e-11 0.20802374e+05 0.98769351e+01 0.22302059e+05 4 c3h3 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 c3h2 t12/00c 3 h 2 0 0 g 200.000 6000.00 1000.00 1 6.67324762e+00 5.57728845e-03-1.99180164e-06 3.20289156e-10-1.91216272e-14 2 7.57571184e+04-9.72894405e+00 2.43417332e+00 1.73013063e-02-1.18294047e-05 3 1.02756396e-09 1.62626314e-12 7.69074892e+04 1.21012230e+01 7.83005132e+04 4 c3h5o 7/20/95 thermc 3h 5o 1 0g 300.000 5000.000 1380.000 11 1.02551752e+01 1.14983720e-02-3.84645659e-06 5.88910346e-10-3.38557923e-14 2 6.26560810e+03-2.77655042e+01 1.19822582e+00 3.05579837e-02-1.80630276e-05 3 4.86150033e-09-4.19854562e-13 9.58217784e+03 2.15566221e+01 4 c3h6ooh1-3 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1384.000 41 1.46881564e+01 1.49941200e-02-5.24056505e-06 8.25462711e-10-4.83758952e-14 2 -4.77342863e+03-4.77984492e+01 1.88331465e+00 4.40156051e-02-3.07858462e-05 3 1.13214862e-08-1.75323184e-12-1.68779168e+02 2.14040621e+01 4 c3h6ooh1-2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1402.000 41 1.24605763e+01 1.58889526e-02-5.32742106e-06 8.15818791e-10-4.68723250e-14 2 -4.20305196e+03-3.23858947e+01 2.87774562e+00 3.74166999e-02-2.36058063e-05 3 7.79930860e-09-1.06042562e-12-7.82368119e+02 1.93941340e+01 4 c3h6ooh2-1 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1407.000 41 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.67381620e+03-4.35770997e+01 2.09193950e+00 4.69220394e-02-3.90280831e-05 3 1.72381453e-08-3.07968979e-12-1.89377918e+03 2.00178282e+01 4 c3h6ooh2-2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1407.000 41 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.67381620e+03-4.35770997e+01 2.09193950e+00 4.69220394e-02-3.90280831e-05 3 1.72381453e-08-3.07968979e-12-1.89377918e+03 2.00178282e+01 4 c3h6ooh1-2o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1386.000 51 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64412115e+04-6.77512936e+01 2.65196584e+00 5.74638149e-02-4.72190867e-05 3 2.05591557e-08-3.68787387e-12-2.08829371e+04 2.01547955e+01 4 c3h6ooh1-3o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1382.000 51 1.85916698e+01 1.65328553e-02-5.81343626e-06 9.19396939e-10-5.40320702e-14 2 -2.39598698e+04-6.42544402e+01 3.14864588e+00 5.33542571e-02-4.08330611e-05 3 1.67542220e-08-2.89288326e-12-1.85473645e+04 1.86305431e+01 4 c3h6ooh2-1o2 7/19/ 0 trmc 3h 7o 4 0g 300.000 5000.000 1386.000 51 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64412115e+04-6.77512936e+01 2.65196584e+00 5.74638149e-02-4.72190867e-05 3 2.05591557e-08-3.68787387e-12-2.08829371e+04 2.01547955e+01 4 nc3h7o t07/10c 3 h 7 o 1 0 g 200.000 6000.00 1000.00 1 8.38041157e+00 1.95206120e-02-6.97374143e-06 1.12144919e-09-6.69467831e-14 2 -8.48625211e+03-1.89916219e+01 4.21934640e+00 7.38556641e-03 6.02825529e-05 3 -8.38680247e-08 3.39623435e-11-6.23491852e+03 8.08139850e+00-4.26576768e+03 4 ic3h7o 8/ 9/ 4 thermc 3h 7o 1 0g 300.000 5000.000 1393.000 21 1.23135031e+01 1.38062606e-02-4.91585531e-06 8.21075632e-10-5.07493001e-14 2 -1.24717023e+04-4.17270532e+01-8.18260771e-01 4.68807147e-02-3.74369377e-05 3 1.55917264e-08-2.64308171e-12-8.15153216e+03 2.79483196e+01 4 nc3h7o2h t02/10c 3 h 8 o 2 0 g 200.000 6000.00 1000.00 1 1.04115631e+01 2.13763889e-02-7.55819870e-06 1.20207180e-09-7.11798090e-14 2 -2.68935445e+04-2.35428789e+01 7.08977756e+00-4.86163264e-03 1.03253531e-04 3 -1.33200956e-07 5.30799252e-11-2.44194556e+04 1.74859215e+00-2.18476548e+04 4 ic3h7o2h 7/19/ 0 thermc 3h 8o 2 0g 300.000 5000.000 1389.000 41 1.57046391e+01 1.65924516e-02-5.77250934e-06 9.06453070e-10-5.30084111e-14 2 -3.23268564e+04-5.71735156e+01 5.19265570e-01 5.32111228e-02-4.05156892e-05 3 1.63346713e-08-2.73751233e-12-2.71048486e+04 2.40815065e+01 4 nc3h7o2 t04/10c 3 h 7 o 2 0 g 200.000 6000.00 1000.00 1 9.24489759e+00 2.14800809e-02-7.69335773e-06 1.23945160e-09-7.40911693e-14 2 -9.81187945e+03-2.20401438e+01 6.99488957e+00-7.50355088e-03 1.01250579e-04 3 -1.25012534e-07 4.84675978e-11-7.53004240e+03-2.03740242e+00-5.10764916e+03 4 ic3h7o2 7/19/ 0 thermc 3h 7o 2 0g 300.000 5000.000 1388.000 31 1.32493493e+01 1.64082190e-02-5.67432062e-06 8.87336340e-10-5.17361535e-14 2 -1.44109855e+04-4.29066213e+01 1.49941639e+00 4.43081205e-02-3.22414456e-05 3 1.29687136e-08-2.23370569e-12-1.02587980e+04 2.02336490e+01 4 c3h6o1-3 a11/04c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 6.80716906e+00 1.88824545e-02-6.79082475e-06 1.09713919e-09-6.57154952e-14 2 -1.36547629e+04-1.35382154e+01 5.15283752e+00-1.86401716e-02 1.29980652e-04 3 -1.58629974e-07 6.20668783e-11-1.13243512e+04 4.73561224e+00-9.75233898e+03 4 c3h6o1-2 a01/05c 3 h 6 o 1 0 g 200.000 6000.00 1000.00 1 8.01491079e+00 1.73919953e-02-6.26027968e-06 1.01188256e-09-6.06239111e-14 2 -1.51980838e+04-1.88279964e+01 3.42806676e+00 6.25176642e-03 6.13196311e-05 3 -8.60387185e-08 3.51371393e-11-1.28446646e+04 1.04244994e+01-1.11564001e+04 4 c3ket12 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1388.000 41 1.70756225e+01 1.31013491e-02-4.61949408e-06 7.31991329e-10-4.30788679e-14 2 -4.17008637e+04-5.95778952e+01 1.10507238e+00 5.27396706e-02-4.31805774e-05 3 1.81618292e-08-3.10535568e-12-3.63627536e+04 2.54111636e+01 4 c3ket13 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1379.000 41 1.58927479e+01 1.40990923e-02-4.96118851e-06 7.84992198e-10-4.61488928e-14 2 -3.93774829e+04-5.26049341e+01 3.55241022e+00 4.18720270e-02-2.94550370e-05 3 1.09982900e-08-1.75045977e-12-3.48902671e+04 1.42082894e+01 4 c3ket21 7/19/ 0 thermc 3h 6o 3 0g 300.000 5000.000 1371.000 41 1.56377776e+01 1.44059342e-02-5.08808082e-06 8.07076119e-10-4.75295650e-14 2 -4.30657975e+04-5.13105869e+01 4.55686367e+00 3.57076837e-02-1.94712054e-05 3 4.70695431e-09-3.69753807e-13-3.86710975e+04 9.97761694e+00 4 c3h51-2,3ooh 8/26/3 thrmc 3h 7o 4 0g 300.000 5000.000 1386.000 61 2.12378169e+01 1.39519596e-02-4.94539222e-06 7.86381389e-10-4.63925564e-14 2 -1.92864584e+04-7.69636561e+01 2.55619708e+00 6.13504487e-02-5.23205391e-05 3 2.28208029e-08-4.02231508e-12-1.31353414e+04 2.21043799e+01 4 c3h52-1,3ooh 8/26/3 thrmc 3h 7o 4 0g 300.000 5000.000 1379.000 61 2.02817964e+01 1.48155431e-02-5.25503386e-06 8.35963453e-10-4.93308915e-14 2 -1.80085066e+04-7.22688262e+01 4.12253742e+00 5.19553611e-02-3.83733727e-05 3 1.45851637e-08-2.29820536e-12-1.22759164e+04 1.48367359e+01 4 c3h6oh 1/ 7/98 thermc 3h 7o 1 0g 300.000 5000.000 1674.000 31 9.31287816e+00 1.67579212e-02-5.75555480e-06 9.00584362e-10-5.26566836e-14 2 -1.20169635e+04-1.95011064e+01 1.20494302e+00 3.30857885e-02-1.63893637e-05 3 3.18103918e-09-6.84229288e-14-9.12961720e+03 2.47155202e+01 4 hoc3h6o2 1/ 7/98 thermc 3h 7o 3 0g 300.000 5000.000 1397.000 41 1.42691004e+01 1.71837825e-02-5.83419536e-06 9.00994191e-10-5.20716210e-14 2 -3.14501750e+04-4.15295035e+01 3.06954289e+00 4.43105640e-02-3.18636260e-05 3 1.26409287e-08-2.12751901e-12-2.75893676e+04 1.83891218e+01 4 ch3chco 03/03/95 thermc 3h 4o 1 0g 300.000 5000.000 1400.00 41 1.00219123e+01 9.56966300e-03-3.26221644e-06 5.05231706e-10-2.92593257e-14 2 -1.42482738e+04-2.77829973e+01 1.48380119e+00 3.22203013e-02-2.70250033e-05 3 1.20499164e-08-2.18365931e-12-1.15276540e+04 1.71552068e+01 4 ac3h5ooh 7/20/98 thermc 3h 6o 2 0g 300.000 5000.000 1394.000 31 1.36837693e+01 1.33968049e-02-4.61533631e-06 7.19988958e-10-4.19109988e-14 2 -1.33165248e+04-4.31904193e+01 2.43934647e+00 4.02070638e-02-2.95322679e-05 3 1.14715600e-08-1.85170511e-12-9.43679906e+03 1.70549969e+01 4 c2h3ooh 4/18/ 8 thermc 2h 4o 2 0g 300.000 5000.000 1397.000 21 1.15749951e+01 8.09909174e-03-2.81808668e-06 4.42697954e-10-2.58998042e-14 2 -8.84852664e+03-3.43859117e+01 1.35644398e+00 3.37002447e-02-2.75988500e-05 3 1.14222854e-08-1.89488886e-12-5.49996692e+03 1.98354466e+01 4 c4h10 8/ 4/ 4 thermc 4h 10 0 0g 300.000 5000.000 1392.000 31 1.24940183e+01 2.17726258e-02-7.44272215e-06 1.15487023e-09-6.69712949e-14 2 -2.18403437e+04-4.45558921e+01-4.55756824e-01 4.80323389e-02-2.65497552e-05 3 6.92544700e-09-6.38317504e-13-1.68960904e+04 2.64870966e+01 4 pc4h9 8/ 4/ 4 thermc 4h 9 0 0g 300.000 5000.000 1391.000 31 1.20779744e+01 1.96264778e-02-6.71302199e-06 1.04206424e-09-6.04469282e-14 2 3.22550473e+03-3.87719384e+01 3.20730933e-01 4.34654454e-02-2.40584970e-05 3 6.28245308e-09-5.80113166e-13 7.71490893e+03 2.57301085e+01 4 sc4h9 8/ 4/ 4 thermc 4h 9 0 0g 300.000 5000.000 1381.000 31 1.16934304e+01 1.96402287e-02-6.65306517e-06 1.02631895e-09-5.92826294e-14 2 1.96382429e+03-3.61626672e+01 8.49159986e-01 3.82085320e-02-1.49626797e-05 3 2.04499211e-10 8.24254437e-13 6.38832956e+03 2.44466606e+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 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1387.000 51 1.82687454e+01 2.16940079e-02-7.54629828e-06 1.18484806e-09-6.92818498e-14 2 -3.39441633e+04-6.84816300e+01 6.34644286e-01 6.20007657e-02-4.34477749e-05 3 1.61407616e-08-2.53121507e-12-2.76345805e+04 2.67026090e+01 4 sc4h9o2h 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1390.000 51 1.88587916e+01 2.11200987e-02-7.33205568e-06 1.14969842e-09-6.71656991e-14 2 -3.64236058e+04-7.20026458e+01 3.40587657e-01 6.52078069e-02-4.84840460e-05 3 1.91011830e-08-3.13833073e-12-3.00007960e+04 2.72835451e+01 4 pc4h9o2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1385.000 41 1.57845448e+01 2.15210910e-02-7.44909017e-06 1.16558071e-09-6.79885609e-14 2 -1.60146054e+04-5.40388525e+01 1.94363650e+00 5.15513163e-02-3.28284400e-05 3 1.13064860e-08-1.70118606e-12-1.08358103e+04 2.13503149e+01 4 sc4h9o2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1389.000 41 1.64031135e+01 2.09361006e-02-7.23393011e-06 1.13058996e-09-6.58938667e-14 2 -1.85074517e+04-5.77331636e+01 1.32689044e+00 5.62785583e-02-4.01717786e-05 3 1.57120967e-08-2.62948443e-12-1.31557057e+04 2.34069659e+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 3/27/97 thermc 4h 9o 2 0g 300.000 5000.000 1379.000 51 1.80477436e+01 1.92137176e-02-6.66503008e-06 1.04468117e-09-6.10170737e-14 2 -1.23069570e+04-6.33580990e+01 4.36087539e+00 4.46153162e-02-2.14784588e-05 3 3.14619957e-09 3.03152649e-13-6.89950326e+03 1.24757248e+01 4 c4h8ooh1-2 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1393.000 51 1.58327906e+01 2.07220436e-02-7.09869028e-06 1.10302045e-09-6.40251984e-14 2 -8.53034314e+03-5.04399828e+01 1.51698234e+00 5.44584331e-02-3.84524319e-05 3 1.48145523e-08-2.42809434e-12-3.49728423e+03 2.64916926e+01 4 c4h8ooh1-3 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1377.000 51 1.76442170e+01 1.91706536e-02-6.57168641e-06 1.02246571e-09-5.94304735e-14 2 -1.01859280e+04-6.17115813e+01 1.94106276e+00 5.18789351e-02-3.10411683e-05 3 8.63568881e-09-8.42841994e-13-4.34315962e+03 2.40230471e+01 4 c4h8ooh1-4 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1386.000 51 1.78623700e+01 1.95212501e-02-6.80351173e-06 1.06960529e-09-6.26000540e-14 2 -8.87923008e+03-6.34393359e+01 1.45017084e+00 5.72418991e-02-4.06431218e-05 3 1.52821793e-08-2.42123218e-12-3.02905522e+03 2.50737890e+01 4 c4h8ooh2-1 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13637100e+04-6.69839138e+01 1.01711681e+00 6.10560866e-02-4.65789185e-05 3 1.88024138e-08-3.15265575e-12-5.37391474e+03 2.63059691e+01 4 c4h8ooh2-2 3/27/97 thermc 4h 9o 2 0g 300.000 5000.000 1383.000 51 1.63837700e+01 2.04422768e-02-7.04524557e-06 1.09927552e-09-6.39967086e-14 2 -1.45616229e+04-5.33147431e+01 4.40329034e+00 4.30478989e-02-2.14076129e-05 3 4.28267268e-09-1.27804885e-13-9.79432029e+03 1.30514046e+01 4 c4h8ooh2-3 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1387.000 51 1.79338472e+01 1.92153623e-02-6.64486961e-06 1.03940007e-09-6.06239862e-14 2 -1.25767913e+04-6.36194089e+01 1.45436266e+00 5.63121286e-02-3.84161425e-05 3 1.34229297e-08-1.92382914e-12-6.68916116e+03 2.54247554e+01 4 c4h8ooh2-4 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1390.000 51 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13637100e+04-6.69839138e+01 1.01711681e+00 6.10560866e-02-4.65789185e-05 3 1.88024138e-08-3.15265575e-12-5.37391474e+03 2.63059691e+01 4 c4h8ooh1-2o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh1-3o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh1-4o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1383.000 61 2.17116470e+01 2.11216172e-02-7.40101448e-06 1.16772959e-09-6.85139846e-14 2 -2.80483124e+04-7.95885249e+01 3.12351717e+00 6.46725908e-02-4.78357914e-05 3 1.89656817e-08-3.18025828e-12-2.14664300e+04 2.04322494e+01 4 c4h8ooh2-1o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 c4h8ooh2-3o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1389.000 61 2.29951044e+01 1.99238919e-02-6.96326765e-06 1.09677832e-09-6.42747281e-14 2 -3.30095408e+04-8.71461958e+01 2.19248006e+00 7.36763430e-02-6.24428300e-05 3 2.79371307e-08-5.10126013e-12-2.61773538e+04 2.29568752e+01 4 c4h8ooh2-4o2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1387.000 61 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05468277e+04-8.32666070e+01 2.22400728e+00 7.04994620e-02-5.66978827e-05 3 2.42627751e-08-4.29715459e-12-2.37391490e+04 2.38371533e+01 4 nc4ket12 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1388.000 51 2.02458485e+01 1.76440360e-02-6.19054598e-06 9.77688024e-10-5.74053258e-14 2 -4.58141511e+04-7.52145443e+01 8.05387149e-01 6.52375119e-02-5.18373651e-05 3 2.13454896e-08-3.59860255e-12-3.92395961e+04 2.84908472e+01 4 nc4ket13 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1386.000 51 1.96430808e+01 1.80940566e-02-6.33063232e-06 9.97860399e-10-5.85076458e-14 2 -4.59588851e+04-7.16905094e+01 2.74883461e+00 5.86936745e-02-4.49605895e-05 3 1.83200130e-08-3.11765369e-12-4.01065878e+04 1.88072090e+01 4 nc4ket14 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1382.000 51 1.90283822e+01 1.86604765e-02-6.53616227e-06 1.03102482e-09-6.04833256e-14 2 -4.34678787e+04-6.80210373e+01 3.40797147e+00 5.37386096e-02-3.72613233e-05 3 1.36862855e-08-2.13798779e-12-3.77919233e+04 1.65580190e+01 4 nc4ket21 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1376.000 51 1.86231473e+01 1.90969401e-02-6.70745998e-06 1.05994690e-09-6.22564248e-14 2 -4.71929933e+04-6.55477892e+01 4.69785973e+00 4.83859623e-02-3.05576939e-05 3 1.02705744e-08-1.51713483e-12-4.18665528e+04 1.06715264e+01 4 nc4ket23 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1387.000 51 1.99512969e+01 1.79558596e-02-6.31230878e-06 9.98217386e-10-5.86636973e-14 2 -4.95585495e+04-7.43071328e+01 4.50575961e-01 6.48862527e-02-5.04446464e-05 3 2.03085220e-08-3.35952497e-12-4.28779359e+04 3.00153676e+01 4 nc4ket24 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1380.000 51 1.87707201e+01 1.89490823e-02-6.65182145e-06 1.05080860e-09-6.17069393e-14 2 -4.72319802e+04-6.73335107e+01 2.93007283e+00 5.39296076e-02-3.66164919e-05 3 1.30880106e-08-1.99245456e-12-4.14118815e+04 1.86567511e+01 4 c2h5coch3 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 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1387.000 41 1.59741221e+01 2.13534740e-02-7.39001105e-06 1.15624411e-09-6.74408046e-14 2 -1.72329304e+04-5.65302409e+01 1.21434293e+00 5.45388311e-02-3.67001593e-05 3 1.34131042e-08-2.11741793e-12-1.18482450e+04 2.34153048e+01 4 tc4h9o2 t04/08c 4 h 9 o 2 0 g 200.000 6000.00 1000.00 1 1.34566146e+01 2.40864396e-02-8.56308159e-06 1.36853372e-09-8.12706683e-14 2 -1.89690450e+04-4.18792381e+01 4.45494881e+00 2.89185105e-02 3.68274347e-05 3 -7.18116292e-08 3.18779709e-11-1.56103943e+04 9.17831465e+00-1.27983095e+04 4 tc4h8o2h-i 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1405.000 51 1.78060253e+01 1.84952716e-02-6.21268423e-06 9.52753962e-10-5.48010330e-14 2 -1.17555816e+04-6.40180236e+01 1.57469723e+00 6.04648659e-02-4.84991814e-05 3 2.05236181e-08-3.52974722e-12-6.54190901e+03 2.16852700e+01 4 ic4h8o2h-i 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1388.000 51 1.80246456e+01 1.93668264e-02-6.74676496e-06 1.06040129e-09-6.20506445e-14 2 -1.00858977e+04-6.57629693e+01 9.94784793e-01 5.89212240e-02-4.25202225e-05 3 1.61370574e-08-2.55904902e-12-4.08029057e+03 2.58950880e+01 4 ic4h8o2h-t 7/19/ 0 thermc 4h 9o 2 0g 300.000 5000.000 1397.000 51 1.52395012e+01 2.06496983e-02-6.94791927e-06 1.06651097e-09-6.13782754e-14 2 -1.02271199e+04-4.70908585e+01 3.77633001e+00 4.50889269e-02-2.62423875e-05 3 7.74736900e-09-9.11520393e-13-5.98295842e+03 1.53503399e+01 4 ic4h8o 7/19/95 thermc 4h 8o 1 0g 300.000 5000.000 1399.000 21 1.44624830e+01 1.80562860e-02-6.18008791e-06 9.59941341e-10-5.57132297e-14 2 -2.30230616e+04-5.61190165e+01-2.97373741e+00 6.24618637e-02-5.04348211e-05 3 2.13345360e-08-3.67382824e-12-1.73274318e+04 3.62336362e+01 4 cc4h8o 6/29/95 thermc 4h 8o 1 0g 300.000 5000.000 1401.000 11 1.35131704e+01 1.91666441e-02-6.53902359e-06 1.01366570e-09-5.87546671e-14 2 -2.00311488e+04-5.22146967e+01-5.27768230e+00 6.52482242e-02-5.00209030e-05 3 1.97452179e-08-3.15605813e-12-1.37706522e+04 4.78500688e+01 4 tc4h9o t08/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.27371509e+01 2.33707342e-02-8.50516678e-06 1.38519973e-09-8.34398061e-14 2 -1.66940150e+04-4.53156321e+01 2.77057100e+00 2.68033175e-02 4.12718360e-05 3 -7.22054739e-08 3.02642276e-11-1.27079262e+04 1.21532856e+01-1.04543262e+04 4 ic4h9o a08/04c 4 h 9 o 1 0 g 200.000 6000.00 1000.00 1 1.16309708e+01 2.47981574e-02-9.01550536e-06 1.46714720e-09-8.83214518e-14 2 -1.37854612e+04-3.81956151e+01 3.80297372e+00 1.56874209e-02 6.81105412e-05 3 -9.83346774e-08 3.95261902e-11-1.00832243e+04 9.78963305e+00-7.82602559e+03 4 ic4h9o2h 7/19/ 0 thermc 4h 10o 2 0g 300.000 5000.000 1388.000 51 1.84308794e+01 2.15337606e-02-7.48623965e-06 1.17499240e-09-6.86890788e-14 2 -3.51483277e+04-7.08030846e+01 2.44181899e-01 6.34027841e-02-4.49162379e-05 3 1.67406877e-08-2.61216478e-12-2.86959808e+04 2.72156229e+01 4 tc4h9o2h t02/10c 4 h 10 o 2 0 g 200.000 6000.00 1000.00 1 1.52702114e+01 2.56462637e-02-9.02796199e-06 1.43759278e-09-8.52381573e-14 2 -3.58539067e+04-5.44966764e+01 3.96033042e+00 4.06267078e-02 1.85652131e-05 3 -5.72128820e-08 2.73014984e-11-3.20467014e+04 7.55565609e+00-2.89963507e+04 4 ic4h7o 4/ 3/ 0 thermc 4h 7o 1 0g 300.000 5000.000 1386.000 21 1.33457615e+01 1.61218588e-02-5.44376403e-06 8.38199374e-10-4.83608280e-14 2 6.11443644e+02-4.36818838e+01 1.74700687e+00 4.07783436e-02-2.44750243e-05 3 7.06502958e-09-7.51570589e-13 4.86979233e+03 1.94535999e+01 4 ic4h8oh 2/14/95 thermc 4h 9o 1 0g 300.000 5000.000 1376.000 41 1.25605997e+01 2.10637488e-02-7.15019648e-06 1.10439262e-09-6.38428695e-14 2 -1.86203249e+04-3.67889430e+01 3.29612707e+00 3.47649647e-02-1.02505618e-05 3 -2.04641931e-09 1.18879408e-12-1.45627247e+04 1.58606320e+01 4 io2c4h8oh 8/23/95 thermc 4h 9o 3 0g 300.000 5000.000 1395.000 51 1.79798208e+01 2.13452115e-02-7.29108198e-06 1.13068846e-09-6.55402236e-14 2 -3.85769917e+04-6.23553522e+01 2.88826008e+00 5.80363124e-02-4.26690874e-05 3 1.71759332e-08-2.91842186e-12-3.33881503e+04 1.83381149e+01 4 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 tc4h8ooh-io2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1386.000 61 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24406877e+04-8.80387843e+01 2.17782096e+00 7.17785118e-02-5.88836046e-05 3 2.56759171e-08-4.61678643e-12-2.55622378e+04 2.07846231e+01 4 ic4h8ooh-io2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1385.000 61 2.18969581e+01 2.09637874e-02-7.34664900e-06 1.15926594e-09-6.80225413e-14 2 -2.92664889e+04-8.20540807e+01 2.39424426e+00 6.76572549e-02-5.17083682e-05 3 2.10796041e-08-3.59960373e-12-2.24787495e+04 2.25029839e+01 4 ic4h8ooh-to2 7/19/ 0 trmc 4h 9o 4 0g 300.000 5000.000 1386.000 61 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24406877e+04-8.80387843e+01 2.17782096e+00 7.17785118e-02-5.88836046e-05 3 2.56759171e-08-4.61678643e-12-2.55622378e+04 2.07846231e+01 4 ic4ketii 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1387.000 51 1.95143059e+01 1.82377395e-02-6.38908606e-06 1.00801571e-09-5.91440350e-14 2 -4.46884836e+04-7.17167584e+01 1.15501614e+00 6.10622345e-02-4.49711323e-05 3 1.70514654e-08-2.65948602e-12-3.82747956e+04 2.69612235e+01 4 ic4ketit 7/19/ 0 thermc 4h 8o 3 0g 300.000 5000.000 1388.000 51 2.09369850e+01 1.71090955e-02-6.01892169e-06 9.52353863e-10-5.59926176e-14 2 -4.77819819e+04-8.27717611e+01 1.14243741e+00 6.33840797e-02-4.73084738e-05 3 1.77145373e-08-2.67265475e-12-4.09366796e+04 2.34844867e+01 4 ic4h7oh 4/ 8/97 thermc 4h 8o 1 0g 300.000 5000.000 1384.000 31 1.35043419e+01 1.78646968e-02-5.99304371e-06 9.18717641e-10-5.28435302e-14 2 -2.58255688e+04-4.44645715e+01 1.69099899e+00 4.27168891e-02-2.49281695e-05 3 7.00961522e-09-7.23262828e-13-2.14512334e+04 1.99500833e+01 4 ic4h6oh 8/19/95 thermc 4h 7o 1 0g 300.000 5000.000 1390.000 31 1.40310926e+01 1.55317541e-02-5.32754961e-06 8.28785902e-10-4.81545257e-14 2 -7.69378228e+03-4.76555306e+01 8.63371227e-01 4.68711282e-02-3.43580339e-05 3 1.33031052e-08-2.13914975e-12-3.14948305e+03 2.29075523e+01 4 ic3h5cho 7/19/95 thermc 4h 6o 1 0g 300.000 5000.000 1396.000 21 1.36203958e+01 1.37917192e-02-4.73370118e-06 7.36655226e-10-4.20097974e-14 2 -2.00025274e+04-4.73184531e+01 6.27183793e-01 4.66780254e-02-3.74430631e-05 3 1.58330542e-08-2.73952155e-12-1.57203117e+04 2.16034294e+01 4 ic3h5co 4/ 3/ 0 thermc 4h 5o 1 0g 300.000 5000.000 1397.000 21 1.30667437e+01 1.16704244e-02-3.99106523e-06 6.19498148e-10-3.59348249e-14 2 -3.36519344e+03-4.35803090e+01 1.85097069e+00 4.18855846e-02-3.62553731e-05 3 1.65690659e-08-3.05850846e-12 1.70381441e+02 1.53014433e+01 4 tc3h6ocho 8/25/95 thermc 4h 7o 2 0g 300.000 5000.000 1394.00 31 1.70371287e+01 1.54400645e-02-5.28332886e-06 8.21085347e-10-4.76898429e-14 2 -2.75871941e+04-6.37271230e+01 3.70830259e-01 5.38475661e-02-3.82477565e-05 3 1.32882237e-08-1.79228730e-12-2.18391262e+04 2.58142112e+01 4 ic3h6co 03/03/95 thermc 4h 6o 1 0g 300.000 5000.000 1397.00 41 1.32548232e+01 1.40142787e-02-4.78910215e-06 7.42924342e-10-4.30737566e-14 2 -2.00529779e+04-4.44810221e+01 2.28039055e+00 4.17016989e-02-3.25089661e-05 3 1.37243419e-08-2.40573132e-12-1.63939712e+04 1.38187714e+01 4 ic4h7ooh 7/19/95 thermc 4h 8o 2 0g 300.000 5000.000 1392.00 41 1.69234564e+01 1.78396769e-02-6.14273279e-06 9.57895028e-10-5.57438304e-14 2 -2.00040686e+04-5.94746070e+01 2.99117402e+00 5.03349278e-02-3.56280061e-05 3 1.33952154e-08-2.11053409e-12-1.51095046e+04 1.54537413e+01 4 tc3h6ohcho 8/ 1/95 thermc 4h 8o 2 0g 300.000 5000.000 1396.00 41 1.70788996e+01 1.74005554e-02-5.93008112e-06 9.18860909e-10-5.32512140e-14 2 -5.38730427e+04-6.38638754e+01 2.10033500e-01 5.63086284e-02-3.95158669e-05 3 1.37780428e-08-1.89068805e-12-4.80402638e+04 2.67836070e+01 4 tc3h6oh 8/ 9/ 4 thermc 3h 7o 1 0g 300.000 5000.000 1392.000 31 1.12222277e+01 1.36444398e-02-4.51406709e-06 7.10523275e-10-4.22690392e-14 2 -1.75350136e+04-3.18911926e+01 1.09670360e+00 3.80727565e-02-2.75022497e-05 3 1.07477493e-08-1.74895773e-12-1.40764487e+04 2.22475799e+01 4 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/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1396.000 41 1.54992372e+01 2.38273176e-02-8.13845161e-06 1.26220569e-09-7.31730066e-14 2 -1.00988975e+03-5.58563592e+01-9.94216435e-01 5.99860809e-02-3.78318587e-05 3 1.21310895e-08-1.57042863e-12 4.97697538e+03 3.35998032e+01 4 nc5h12 8/ 4/ 4 thermc 5h 12 0 0g 300.000 5000.000 1396.000 41 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 c5h11-2 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.17907576e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.67485348e+01 4 c5h11-3 8/ 4/ 4 thermc 5h 11 0 0g 300.000 5000.000 1391.000 41 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14733945e+03-5.24802393e+01 7.25187788e-01 4.97343569e-02-2.18806076e-05 3 2.09007834e-09 6.62752863e-13 3.46418370e+03 2.60590532e+01 4 c5h10-1 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1392.000 31 1.45851539e+01 2.24072471e-02-7.63348025e-06 1.18188966e-09-6.84385139e-14 2 -1.00898205e+04-5.23683936e+01-1.06223481e+00 5.74218294e-02-3.74486890e-05 3 1.27364989e-08-1.79609789e-12-4.46546666e+03 3.22739790e+01 4 c5h10-2 4/ 7/97 thermc 5h 10 0 0g 300.000 5000.000 1389.000 31 1.41109267e+01 2.28348272e-02-7.78626835e-06 1.20627491e-09-6.98795983e-14 2 -1.14336507e+04-5.01601163e+01-5.41560551e-01 5.39629918e-02-3.23508738e-05 3 9.77416037e-09-1.18534668e-12-5.98606169e+03 2.97142748e+01 4 c5h81-3 3/27/97 thermc 5h 8 0 0g 300.000 5000.000 1396.000 21 1.45574490e+01 1.80939266e-02-6.21671892e-06 9.67920254e-10-5.62629326e-14 2 1.22365462e+03-5.43889766e+01-2.32617433e+00 6.38696042e-02-5.57052591e-05 3 2.58049480e-08-4.83405924e-12 6.55183321e+03 3.42036513e+01 4 c5h91-3 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 21 1.41860454e+01 2.07128899e-02-7.06960617e-06 1.09607133e-09-6.35322208e-14 2 7.00496135e+03-5.14501773e+01-1.38013950e+00 5.57608487e-02-3.70143928e-05 3 1.26883901e-08-1.78538835e-12 1.25589824e+04 3.26441304e+01 4 c5h91-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1379.000 31 1.39904314e+01 1.99962562e-02-6.73105937e-06 1.03447598e-09-5.96148983e-14 2 1.36075123e+04-4.58753046e+01 2.07302224e-01 4.75322572e-02-2.55232300e-05 3 5.70570808e-09-2.53926602e-13 1.88300100e+04 2.97527890e+01 4 c5h91-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1392.000 31 1.41604486e+01 2.02710046e-02-6.90765357e-06 1.06972742e-09-6.19529514e-14 2 1.49795090e+04-4.72301324e+01-3.00352280e-01 5.29029897e-02-3.50199571e-05 3 1.21280172e-08-1.74459793e-12 2.01482388e+04 3.08938514e+01 4 c5h92-4 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 21 1.37128284e+01 2.11391857e-02-7.22186145e-06 1.12036442e-09-6.49675872e-14 2 5.66079366e+03-4.92475603e+01-8.61323386e-01 5.23106875e-02-3.19282664e-05 3 9.73236622e-09-1.17585595e-12 1.10386471e+04 3.00928924e+01 4 c5h92-5 4/ 7/97 thermc 5h 9 0 0g 300.000 5000.000 1389.000 31 1.36885460e+01 2.06966684e-02-7.05980383e-06 1.09401634e-09-6.33885833e-14 2 1.36345574e+04-4.50306538e+01 2.16350550e-01 4.94614176e-02-2.99438792e-05 3 9.17728978e-09-1.13613754e-12 1.86282306e+04 2.83575279e+01 4 c5h9o1-3 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1393.000 31 1.86270165e+01 1.85189638e-02-6.21111137e-06 9.52916260e-10-5.48704082e-14 2 -4.97349374e+03-7.09678919e+01-2.22532588e+00 6.97271843e-02-5.42285799e-05 3 2.13591167e-08-3.36511599e-12 1.91826163e+03 3.99711270e+01 4 c5h9o2-4 4/ 7/97 thermc 5h 9o 1 0g 300.000 5000.000 1387.000 31 1.86104516e+01 1.87100216e-02-6.31627652e-06 9.73434030e-10-5.62316246e-14 2 -6.59575918e+03-7.05163465e+01-1.66449167e+00 6.51525448e-02-4.57159226e-05 3 1.55903830e-08-2.04144207e-12 4.10326271e+02 3.84890543e+01 4 c5h11o-1 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1391.000 41 1.73225378e+01 2.48217999e-02-8.48159842e-06 1.31587304e-09-7.63050620e-14 2 -1.83356880e+04-6.37681611e+01-9.02925873e-02 6.34116550e-02-4.09268668e-05 3 1.36982820e-08-1.89646466e-12-1.20333690e+04 3.05672313e+01 4 c5h11o-2 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.67615213e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.16370708e+01 4 c5h11o-3 4/ 7/97 thermc 5h 11o 1 0g 300.000 5000.000 1396.000 41 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06350810e+04-6.74510029e+01-4.94527725e-01 6.73149844e-02-4.72324734e-05 3 1.75936532e-08-2.73651943e-12-1.42372243e+04 3.09475892e+01 4 c5h11o2h-1 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1387.000 61 2.14180725e+01 2.62251472e-02-9.10691067e-06 1.42824507e-09-8.34473635e-14 2 -3.80401323e+04-8.39746734e+01 4.74596161e-01 7.38808098e-02-5.12216645e-05 3 1.87797149e-08-2.90291870e-12-3.05323779e+04 2.91362231e+01 4 c5h11o2h-2 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2h-3 7/19/ 0 thermc 5h 12o 2 0g 300.000 5000.000 1390.000 61 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.06027396e+04-8.84830959e+01-2.68431172e-01 7.90975970e-02-5.89751277e-05 3 2.33029166e-08-3.83794655e-12-3.28329870e+04 3.17836191e+01 4 c5h11o2-1 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1386.000 51 1.89702536e+01 2.60355552e-02-9.00706834e-06 1.40888868e-09-8.21618381e-14 2 -2.01253683e+04-6.97477616e+01 1.39788038e+00 6.52788893e-02-4.34224032e-05 3 1.57151743e-08-2.46631324e-12-1.36791222e+04 2.55411824e+01 4 c5h11o2-2 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h11o2-3 7/19/ 0 thermc 5h 11o 2 0g 300.000 5000.000 1389.000 51 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26521255e+04-7.38934310e+01 7.10786402e-01 7.03521821e-02-5.11565299e-05 3 2.03005197e-08-3.42470585e-12-1.59903126e+04 2.79113132e+01 4 c5h10ooh1-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1379.000 61 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43245680e+04-7.79152904e+01 1.66304681e+00 6.42511734e-02-3.94124754e-05 3 1.15348101e-08-1.25128422e-12-7.22288006e+03 2.70063739e+01 4 c5h10ooh1-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1387.000 61 2.10114488e+01 2.40561226e-02-8.36616955e-06 1.31339875e-09-7.67917194e-14 2 -1.29757849e+04-7.89329903e+01 1.26957212e+00 6.92172253e-02-4.85626715e-05 3 1.80144791e-08-2.81415382e-12-5.92384799e+03 2.76017751e+01 4 c5h10ooh2-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh2-3 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-4 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10ooh2-5 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-1 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1390.000 61 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55260698e+04-8.33092449e+01 5.18861756e-01 7.44934918e-02-5.64622871e-05 3 2.26488673e-08-3.77612026e-12-8.22372586e+03 3.02858118e+01 4 c5h10ooh3-2 7/19/ 0 thrmc 5h 11o 2 0g 300.000 5000.000 1388.000 61 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66702092e+04-7.91383677e+01 1.27092209e+00 6.82958985e-02-4.63421243e-05 3 1.61403755e-08-2.30884220e-12-9.58339948e+03 2.79668173e+01 4 c5h10o1-2 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1382.000 61 1.83450823e+01 2.15894287e-02-7.59914917e-06 1.20265688e-09-7.07149348e-14 2 -2.52918816e+04-7.38748127e+01-2.50915891e+00 7.02820905e-02-5.23078154e-05 3 2.05330738e-08-3.37999472e-12-1.79263879e+04 3.83402738e+01 4 c5h10o1-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1370.000 61 1.85051134e+01 2.17909650e-02-7.74803799e-06 1.23453810e-09-7.29327086e-14 2 -2.62151881e+04-7.74524221e+01-2.70067147e+00 6.51234466e-02-3.97863209e-05 3 1.12983558e-08-1.18141056e-12-1.81611984e+04 3.87589334e+01 4 c5h10o1-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1371.000 61 1.77074517e+01 2.24725523e-02-7.98404192e-06 1.27146816e-09-7.50866945e-14 2 -3.63066445e+04-7.27392560e+01-3.94205066e+00 6.68440102e-02-4.09940878e-05 3 1.17684771e-08-1.26029870e-12-2.80943137e+04 4.58617150e+01 4 c5h10o1-5 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1457.000 61 2.13684109e+01 1.97321411e-02-7.12842160e-06 1.14789888e-09-6.83162787e-14 2 -3.89834904e+04-1.00032176e+02-3.02904503e+00 6.01320166e-02-2.12072490e-05 3 -4.91313274e-09 3.07577547e-12-2.91028862e+04 3.64698785e+01 4 c5h10o2-3 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1385.000 61 1.89379846e+01 2.10434849e-02-7.40107577e-06 1.17069402e-09-6.88106356e-14 2 -2.76228814e+04-7.74017673e+01-3.03891874e+00 7.46406721e-02-5.91275018e-05 3 2.46307903e-08-4.24312686e-12-2.01088998e+04 4.00106761e+01 4 c5h10o2-4 1/22/95 thermc 5h 10o 1 0g 300.000 5000.000 1376.000 61 1.91186278e+01 2.12169126e-02-7.53764833e-06 1.20035780e-09-7.08866585e-14 2 -2.85216189e+04-8.03408390e+01-3.50702064e+00 7.13707278e-02-4.99483546e-05 3 1.76515898e-08-2.56653255e-12-2.03198734e+04 4.22612571e+01 4 c5h10ooh1-2o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-3o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-4o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh1-5o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1385.000 71 2.48666576e+01 2.56688838e-02-8.97169324e-06 1.41315614e-09-8.28158711e-14 2 -3.21479218e+04-9.51211738e+01 2.81997434e+00 7.72690504e-02-5.67282509e-05 3 2.23236523e-08-3.71501383e-12-2.43447483e+04 2.35135259e+01 4 c5h10ooh2-1o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh2-3o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 c5h10ooh2-4o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 c5h10ooh2-5o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh3-1o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1387.000 71 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46345151e+04-9.91022020e+01 2.53072834e+00 8.12167401e-02-6.33054798e-05 3 2.63900700e-08-4.58739612e-12-2.67337637e+04 2.39105049e+01 4 c5h10ooh3-2o2 7/19/ 0 tmc 5h 11o 4 0g 300.000 5000.000 1389.000 71 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71537284e+04-1.03435286e+02 2.08935173e+00 8.57156954e-02-7.04986902e-05 3 3.07497216e-08-5.51132533e-12-2.90970365e+04 2.50297599e+01 4 nc5ket12 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1389.000 61 2.34427049e+01 2.21540692e-02-7.74817880e-06 1.22107095e-09-7.15883644e-14 2 -4.99350593e+04-9.09970812e+01 5.64845658e-01 7.74889690e-02-6.00818427e-05 3 2.42432817e-08-4.02329880e-12-4.21262314e+04 3.12910774e+01 4 nc5ket13 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00526193e+04-8.71676166e+01 2.53945153e+00 7.08645319e-02-5.32266350e-05 3 2.12906293e-08-3.56676536e-12-4.29988725e+04 2.14543054e+01 4 nc5ket14 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00526193e+04-8.71676166e+01 2.53945153e+00 7.08645319e-02-5.32266350e-05 3 2.12906293e-08-3.56676536e-12-4.29988725e+04 2.14543054e+01 4 nc5ket15 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1383.000 61 2.21776239e+01 2.31939864e-02-8.09797899e-06 1.27464047e-09-7.46625107e-14 2 -4.75611599e+04-8.35091033e+01 3.22565144e+00 6.57620962e-02-4.52752542e-05 3 1.64810866e-08-2.54467139e-12-4.06876266e+04 1.90851234e+01 4 nc5ket21 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1379.000 61 2.17534680e+01 2.36666119e-02-8.28610759e-06 1.30663620e-09-7.66324076e-14 2 -5.12815467e+04-8.09340957e+01 4.56687437e+00 6.01978739e-02-3.82935508e-05 3 1.29220662e-08-1.89791227e-12-4.47703435e+04 1.29580830e+01 4 nc5ket23 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.31409808e+01 2.24801534e-02-7.87662916e-06 1.24282516e-09-7.29252729e-14 2 -5.36784029e+04-9.00538236e+01 1.09304151e-01 7.75997760e-02-5.94124810e-05 3 2.36744270e-08-3.89094338e-12-4.57495597e+04 3.32799795e+01 4 nc5ket24 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1385.000 61 2.25126387e+01 2.29495597e-02-8.02286486e-06 1.26389975e-09-7.40777420e-14 2 -5.38122195e+04-8.63788737e+01 2.19333641e+00 7.04050260e-02-5.15856312e-05 3 2.00741570e-08-3.28568948e-12-4.66368524e+04 2.29520202e+01 4 nc5ket25 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.19099644e+01 2.35018200e-02-8.22261497e-06 1.29606701e-09-7.59914647e-14 2 -5.13242006e+04-8.27708903e+01 2.76270425e+00 6.58724877e-02-4.45144578e-05 3 1.58213340e-08-2.38800145e-12-4.43093682e+04 2.11180678e+01 4 nc5ket31 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1382.000 61 2.17723599e+01 2.36116706e-02-8.25813864e-06 1.30129886e-09-7.62813000e-14 2 -5.13543364e+04-8.16385880e+01 3.14481499e+00 6.64310592e-02-4.75232545e-05 3 1.85573234e-08-3.11995924e-12-4.46228757e+04 1.89760116e+01 4 nc5ket32 7/19/ 0 thermc 5h 10o 3 0g 300.000 5000.000 1387.000 61 2.29536744e+01 2.26192649e-02-7.91922638e-06 1.24883440e-09-7.32467701e-14 2 -5.36792159e+04-8.86117968e+01 7.24497110e-01 7.71622935e-02-6.10369902e-05 3 2.55909432e-08-4.44696298e-12-4.60989830e+04 3.00522534e+01 4 c5h10oh-1 1/14/99 thermc 5h 11o 1 0g 300.000 5000.000 1371.000 51 1.75642279e+01 2.33577469e-02-7.81503517e-06 1.19674654e-09-6.88114207e-14 2 -2.11605652e+04-6.19821034e+01 9.51873649e-01 5.58286144e-02-2.87750953e-05 3 5.54684921e-09 1.10578801e-14-1.48168651e+04 2.93877119e+01 4 c5h10oh-2 1/14/99 thermc 5h 11o 1 0g 300.000 5000.000 1390.000 51 1.72742775e+01 2.39409708e-02-8.07388576e-06 1.24188426e-09-7.15926603e-14 2 -2.31054055e+04-6.11106423e+01 4.68530877e-01 6.05595171e-02-3.75900684e-05 3 1.16488887e-08-1.41506375e-12-1.70158316e+04 3.00652481e+01 4 o2c5h10oh-1 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1395.000 61 2.06059936e+01 2.61750874e-02-8.92270421e-06 1.38184638e-09-8.00235870e-14 2 -4.07496333e+04-7.38943495e+01 2.70461132e+00 6.83289096e-02-4.77921008e-05 3 1.81238720e-08-2.90871344e-12-3.44822614e+04 2.22673007e+01 4 o2c5h10oh-2 1/14/99 thrmc 5h 11o 3 0g 300.000 5000.000 1398.000 61 2.15259930e+01 2.54039694e-02-8.65952886e-06 1.34110440e-09-7.76663740e-14 2 -4.32473477e+04-8.00796638e+01 1.89616952e+00 7.37918569e-02-5.55488679e-05 3 2.24979959e-08-3.79045894e-12-3.66230283e+04 2.45460172e+01 4 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 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 t03/97c 4h 5o 1 0g 200.000 6000.000 1000.0 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 1.48898740e+03-1.79662460e+01-1.08199860e+00 3.64929760e-02-1.52255950e-05 3 -5.62607170e-18 2.16113750e-21 3.56713230e+03 3.27142550e+01 4.73074990e+03 4 ch2chchcho t03/97c 4h 5o 1 0g 200.000 6000.000 1000.0 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 1.48898740e+03-1.79662460e+01-1.08199860e+00 3.64929760e-02-1.52255950e-05 3 -5.62607170e-18 2.16113750e-21 3.56713230e+03 3.27142550e+01 4.73074990e+03 4 c4h6o25 t 3/97c 4h 6o 1 0g 200.000 5000.000 1000.0 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.76177415e+04-2.32464750e+01 2.67053463e+00 4.92586420e-03 8.86967406e-05 3 -1.26219194e-07 5.23991321e-11-1.46572472e+04 1.45722395e+01-1.30831522e+04 4 c2h3choch2 a 8/83c 4h 6o 1 0g 300. 3000. 1000.0 1 -4.72093360e+00 3.91413780e-02-6.52872650e-06-7.68209500e-09 2.51473310e-12 2 1.75352252e+03 5.17190420e+01 7.97985440e-01 3.44034320e-02-1.24598510e-05 3 -5.18062790e-18 1.99359540e-21-6.48927540e+02 2.18896980e+01 1.00654250e+03 4 c4h5-2 h6w/94c 4h 5 0 0g 300.000 3000.00 1000.00 1 1.45381710e+01-8.56770560e-03 2.35595240e-05-1.36763790e-08 2.44369270e-12 2 3.32590950e+04-4.53694970e+01 2.96962800e+00 2.44422450e-02-9.12514240e-06 3 -4.24668710e-18 1.63047280e-21 3.55033160e+04 1.20360510e+01 3.73930550e+04 4 c4h6-2 a 8/83c 4h 6 0 0g 300. 3000. 1000.0 1 9.0338133e+00 8.2124510e-03 7.1753952e-06 -5.8834334e-09 1.0343915e-12 2 1.4335068e+04 -2.0985762e+01 2.1373338e+00 2.6486229e-02 -9.0568711e-06 3 -5.5386397e-19 2.1281884e-22 1.5710902e+04 1.3529426e+01 1.7488676e+04 4 c4h6o23 t 3/97c 4h 6o 1 0g 200.000 5000.000 1000.0 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.32392815e+04-2.32464750e+01 2.67053463e+00 4.92586420e-03 8.86967406e-05 3 -1.26219194e-07 5.23991321e-11-1.02787872e+04 1.45722395e+01-1.30831522e+04 4 ch3chchcho t 5/92c 4h 6o 1 0g 298.150 3000.0 1000.0 1 1.98794540e+01-2.09130550e-02 4.45360508e-05-2.60374870e-08 4.86836120e-12 2 -1.95278768e+04-6.87200320e+01-1.55577660e+00 4.09640630e-02-1.69868810e-05 3 -6.00928140e-18 2.31368530e-21-1.41394920e+04 3.74707580e+01-1.29340710e+04 4 c4h4o t03/97c 4h 4o 1 0g 200.000 6000.0 1000.0 1 9.38935003e+00 1.40291241e-02-5.07755110e-06 8.24137332e-10-4.95319963e-14 2 -8.68241814e+03-2.79162920e+01 8.47469463e-01 1.31773796e-02 5.99735901e-05 3 -9.71562904e-08 4.22733796e-11-5.36785445e+03 2.14945172e+01-4.17166616e+03 4 h2cc l12/89h 2c 2 0 0g 200.000 6000.000 1000.000 1 0.42780340e+01 0.47562804e-02-0.16301009e-05 0.25462806e-09-0.14886379e-13 2 0.48316688e+05 0.64023701e+00 0.32815483e+01 0.69764791e-02-0.23855244e-05 3 -0.12104432e-08 0.98189545e-12 0.48621794e+05 0.59203910e+01 0.49887266e+05 4 h2c4o 120189h 2c 4o 1 g 0300.00 4000.00 1000.00 1 0.01026888e+03 0.04896164e-01-0.04885081e-05-0.02708566e-08 0.05107013e-12 2 0.02346903e+06-0.02815985e+03 0.04810971e+02 0.01313999e+00 0.09865073e-05 3 -0.06120720e-07 0.01640003e-10 0.02545803e+06 0.02113424e+02 4 c6h2 p 1/93c 6h 2 0 0g 300.000 3000.00 1000.00 1 0.13226281e+02 0.73904302e-02-0.22715381e-05 0.25875217e-09-0.55356741e-14 2 0.80565258e+05-0.41201176e+02-0.15932624e+01 0.80530145e-01-0.14800649e-03 3 0.13300031e-06-0.45332313e-10 0.83273227e+05 0.27980873e+02 4 c6h3 h6w/94c 6h 3 0 0g 300.000 3000.00 1000.00 1 0.58188343e+01 0.27933408e-01-0.17825427e-04 0.53702536e-08-0.61707627e-12 2 0.85188250e+05-0.92147827e+00 0.11790619e+01 0.55547360e-01-0.73076168e-04 3 0.52076736e-07-0.15046964e-10 0.85647312e+05 0.19179199e+02 4 l-c6h4 h6w/94c 6h 4 0 0g 300.000 3000.00 1000.00 1 0.12715182e+02 0.13839662e-01-0.43765440e-05 0.31541636e-09 0.46619026e-13 2 0.57031148e+05-0.39464600e+02 0.29590225e+00 0.58053318e-01-0.67766756e-04 3 0.43376762e-07-0.11418864e-10 0.60001371e+05 0.22318970e+02 4 c-c6h4 h6w/94c 6h 4 0 0g 300.000 3000.00 1000.00 1 0.13849209e+02 0.78807920e-02 0.18243836e-05-0.21169166e-08 0.37459977e-12 2 0.47446340e+05-0.50404953e+02-0.30991268e+01 0.54030564e-01-0.40839004e-04 3 0.10738837e-07 0.98078490e-12 0.52205711e+05 0.37415207e+02 4 c6h5oh l 4/84c 6h 6o 1 0g 300.000 5000.000 1000. 1 0.14912073e+02 0.18378135e-01-0.61983128e-05 0.91983221e-09-0.49209565e-13 2 -0.18375199e+05-0.55924103e+02-0.16956539e+01 0.52271299e-01-0.72024050e-05 3 -0.35859603e-07 0.20449073e-10-0.13284121e+05 0.32542160e+02-0.11594207e+05 4 c6h5o t05/02c 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 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1.10408595E-01-9.86444941E-05 3 4.41246608E-08-7.80459565E-12 9.35231821E+03 5.79329757E+01 4 a2o-2 HR 6/99 BLYP c 10h 7o 1 0G 300.000 5000.000 1403.000 01 2.55976281E+01 2.24775925E-02-7.77612184E-06 1.21700823E-09-7.10201185E-14 2 9.06605861E+02-1.15554102E+02-7.30371611E+00 1.10120287E-01-9.82564465E-05 3 4.38428145E-08-7.73044601E-12 1.11390084E+04 5.71293774E+01 4 c9h7 INDENYL R T 9/96c 9h 7 o 0G 200.000 6000.000 1 1.85549761E+01 2.50350502E-02-9.14573755E-06 1.49348099E-09-9.01328268E-14 2 2.57211482E+04-7.63004782E+01-2.66986010E+00 6.21770959E-02 1.50674040E-05 3 -7.96461960E-08 4.09191931E-11 3.23869684E+04 3.78611069E+01 3.43495696E+04 4 c9h8 INDENE T 9/96c 9h 8 o 0G 200.000 6000.000 1 1.73186757E+01 2.89827586E-02-1.06050551E-05 1.73345448E-09-1.04679146E-13 2 1.11514275E+04-7.15553836E+01-6.81899560E-01 4.16587045E-02 7.07413209E-05 3 -1.34308856E-07 5.99158843E-11 1.77050360E+04 2.97813474E+01 1.97411898E+04 4 c9h7ch2 Matsugi2013 c 10h 9 o 0G 300.000 5000.000 1400.00 1 2.48973930E+01 2.55147986E-02-8.79922194E-06 1.37404921E-09-8.00535169E-14 2 1.83072953E+04-1.12654689E+02-8.02975915E+00 1.12889393E-01-9.91274443E-05 3 4.41732177E-08-7.83596047E-12 2.86367245E+04 6.03761192E+01 4 c9h6ch2 Matsugi2013 c 10h 8 o 0G 300.000 5000.000 1401.00 1 2.37888939E+01 2.39146033E-02-8.24877665E-06 1.28829948E-09-7.50678039E-14 2 1.43968777E+04-1.07094280E+02-8.01337918E+00 1.08401947E-01-9.55671696E-05 3 4.25996671E-08-7.54462202E-12 2.43488603E+04 5.99659944E+01 4 a2t2 HR12/99BLYP00C 10H 6 0 0G 300.000 5000.000 1401.000 01 2.27563525E+01 1.97983673E-02-6.85196907E-06 1.07269721E-09-6.26130244E-14 2 4.98909571E+04-1.00848492E+02-5.71085200E+00 9.46608203E-02-8.30702095E-05 3 3.64968043E-08-6.35095707E-12 5.88368563E+04 4.88989311E+01 4 c6h5(c2h)2 HW /94C 10H 6 0 0G 300.000 3000.000 1 0.39766785E+02-0.24939798E-01 0.34210185E-04-0.14473258E-07 0.20104023E-11 2 0.50136750E+05-0.18657632E+03-0.75570364E+01 0.12159592E+00-0.15138849E-03 3 0.10287488E-06-0.28950911E-10 0.62914168E+05 0.55213287E+02 4 c10h7-1 HW /94c 10h 7 o 0G 300.000 3000.000 1 0.38380905E+02-0.23157451E-01 0.35479272E-04-0.15395457E-07 0.21609069E-11 2 0.32698469E+05-0.18106512E+03-0.85287294E+01 0.10334599E+00-0.91922702E-04 3 0.43147448E-07-0.85738135E-11 0.46335004E+05 0.63342224E+02 4 c10h7-2 HW /94c 10h 7 o 0G 300.000 3000.000 1 0.37326401E+02-0.20478070E-01 0.33183067E-04-0.14576987E-07 0.20569137E-11 2 0.32840301E+05-0.17537704E+03-0.38448524E+01 0.70514679E-01-0.93748040E-05 3 -0.44051607E-07 0.24267865E-10 0.45627656E+05 0.43582001E+02 4 c6h5cc HW /94c 8h 5 o 0G 300.000 3000.000 1 0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2 0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3 -0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4 a2- 0C 10H 7O 0 G 200.000 6000.000 1000. 1 1.83535073E+01 2.77474314E-02-1.00885968E-05 1.64229575E-09-9.89002001E-14 2 3.89261241E+04-7.48978150E+01-1.89559772E+00 5.83077290E-02 2.79388931E-05 3 -9.14375172E-08 4.46422302E-11 4.55409775E+04 3.52453263E+01 4 c10h8 T 7/98c 10h 8 o 0G 200.000 6000.000 1000. 1 1.86129884E+01 3.04494175E-02-1.11224825E-05 1.81615474E-09-1.09601281E-13 2 8.91578988E+03-8.00230396E+01-1.04919475E+00 4.62970781E-02 7.07591636E-05 3 -1.38408111E-07 6.20475407E-11 1.59848987E+04 3.02121626E+01 1.81107678E+04 4 c6h5c2h HW /94c 8h 6 o 0G 300.000 3000.000 1 0.24090759E+02 0.78232400E-03 0.11453964E-04-0.61620504E-08 0.93346685E-12 2 0.27429445E+05-0.10499631E+03-0.52645016E+01 0.84511042E-01-0.76597848E-04 3 0.33216978E-07-0.47673063E-11 0.35566242E+05 0.46378815E+02 4 c6h5c2h- HW /94c 8h 5 o 0G 300.000 3000.000 1 0.12359501E+02 0.25453357E-01-0.10606554E-04 0.18914603E-08-0.10630622E-12 2 0.60930461E+05-0.40900208E+02-0.44495859E+01 0.76995067E-01-0.66617038E-04 3 0.25038682E-07-0.19756601E-11 0.65225926E+05 0.44427948E+02 4 c6h5cc HW /94c 8h 5 o 0G 300.000 3000.000 1 0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2 0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3 -0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4 c6h5ch T CBSRAD7/01 c 7h 6 o 0G 300.000 5000.000 1404.000 11 1.75286289E+01 1.59878206E-02-5.49454979E-06 8.56118588E-10-4.98053729E-14 2 4.73041322E+04-7.15174971E+01-5.94812574E+00 8.03020198E-02-7.38766020E-05 3 3.39798674E-08-6.14844599E-12 5.44384047E+04 5.10879361E+01 4 fulvene Fulv T12/10c 6h 6 o 0G 200.000 6000.000 1000. 1 1.14345282E+01 1.99371432E-02-7.13567060E-06 1.14951842E-09-6.87263886E-14 2 2.04411455E+04-3.86799524E+01 5.09714763E-01 2.58195980E-02 5.06504954E-05 3 -9.32593825E-08 4.15963672E-11 2.44318827E+04 2.30638077E+01 2.60142888E+04 4 c6h4(c2h)2 HW /94c 10h 6 o 0G 300.000 3000.000 1 0.39766785E+02-0.24939798E-01 0.34210185E-04-0.14473258E-07 0.20104023E-11 2 0.50136750E+05-0.18657632E+03-0.75570364E+01 0.12159592E+00-0.15138849E-03 3 0.10287488E-06-0.28950911E-10 0.62914168E+05 0.55213287E+02 4 c5h4 CH2CCHCCHBur00h 4c 5 o 0G 200.000 6000.000 1000. 1 0.10270189E+02 0.13073162E-01-0.46889368E-05 0.75613521E-09-0.45229670E-13 2 0.49102428E+05-0.27545396E+02 0.87018870E+00 0.41493544E-01-0.35400870E-04 3 0.13012008E-07-0.60955029E-12 0.51578444E+05 0.20378880E+02 4 !Akira Miyoshi c7h5 g3sx ref819c 7h 5 0 0g 300.000 5000.000 1404.00 1 1.65644050E+01 1.44569152E-02-4.91369020E-06 7.59739947E-10-4.39556749E-14 2 4.96364603E+04-6.29487260E+01-2.77567748E+00 6.97210344E-02-6.63891369E-05 3 3.18329494E-08-5.98040634E-12 5.53261073E+04 3.73111448E+01 4 !Akira Miyoshi c7h6 g3sx b3lyptc 7h 6 0 0g 300.000 5000.000 1401.00 1 1.70564548E+01 1.67766601E-02-5.75637904E-06 8.95748927E-10-5.20574674E-14 2 3.43929834E+04-6.83510071E+01-3.96406850E+00 7.40750426E-02-6.68009279E-05 3 3.06821623E-08-5.59258820E-12 4.08575050E+04 4.16088550E+01 4 c9h6o 000000n 0h 6o 1c 9g 300 3000 1000 1 4.65659248E+00 5.70055822E-02-3.43174199E-05 9.76177442E-09-1.06334037E-12 2 4.57857140E+03-7.03868477E-01-6.53928778E+00 9.69323286E-02-8.17698656E-05 3 2.96699474E-08-2.24993392E-12 6.88883578E+03 5.40945996E+01 4 !!!20140501 c6h5ch2oo qb3-mf11 0c 7h 7o 2 g 0300.00 5000.00 1000.00 1 1.71115179e+01 2.68198282e-02-1.06205723e-05 1.91920856e-09-1.30061244e-13 2 6.71623207e+03-6.12436900e+01-2.24622429e+00 7.26022303e-02-3.67327921e-05 3 -8.74034681e-09 1.01564683e-11 1.24729027e+04 4.07042530e+01 4 c6h5ch2ooh 3/ 4/94 thec 7h 8o 2 0g 300.000 5000.000 1390.000 1 2.21951256e+01 2.19901041e-02-7.70452728e-06 1.21574282e-09-7.13427270e-14 2 -1.43966742e+04-9.07483698e+01-3.39515159e+00 8.45306884e-02-6.70634097e-05 3 2.72113250e-08-4.48289693e-12-5.78730853e+03 4.57078979e+01 4 ec7h6 g3sx b3lyptc 7h 6 0 0g 300.000 5000.000 1401.00 1 1.70697845e+01 1.67433678e-02-5.73958594e-06 8.92538887e-10-5.18456003e-14 2 3.55856416e+04-6.74573770e+01-3.27536620e+00 7.22646827e-02-6.50419941e-05 3 2.99258499e-08-5.47141606e-12 4.18458582e+04 3.89631961e+01 4 cc7h7 cyheptatriena09/05c 7.h 7. 0. 0.g 200.000 6000.000 1000. 1 1.37839351e+01 2.32922891e-02-8.36543230e-06 1.35064040e-09-8.08726926e-14 2 2.71779724e+04-4.85624908e+01 1.37723080e+00 3.27432725e-02 4.58225372e-05 3 -9.07721756e-08 4.08096948e-11 3.16491191e+04 2.10799820e+01 3.37597997e+04 4 c5h3 20387c 5h 3 g 0300.00 5000.00 1000.00 1 0.01078762e+03 0.09539619e-01-0.03206745e-04 0.04733323e-08-0.02512135e-12 2 0.06392904e+06-0.03005444e+03 0.04328720e+02 0.02352480e+00-0.05856723e-04 3 -0.01215449e-06 0.07726478e-10 0.06588531e+06 0.04173259e+02 4 cc5h4 t 3/94c 5h 4 0 0g 200.000 6000.000 1000.000 1 0.10106809e+02 0.13457466e-01-0.48862383e-05 0.79465424e-09-0.47821691e-13 2 0.61714735e+05-0.30155332e+02 0.98338482e+00 0.21429446e-01 0.33390071e-04 3 -0.66941379e-07 0.30563346e-10 0.64905174e+05 0.20682801e+02 0.66327982e+05 4 c5h5ch3 c 6h 8 g 300.00 5000.00 1399.00 1 .154352848e+02 .199801707e-01-.680270423e-05 .105349633e-08-.610336727e-13 2 .447456576e+04-.636393642e+02-.665320026e+01 .744640477e-01-.582864186e-04 3 .231603543e-07-.369017129e-11 .117669311e+05 .538162769e+02 4 c6h5cc hw /94c 8h 5 0 0g 300.000 3000.000 1 0.28686157e+02-0.13869863e-01 0.22721186e-04-0.99882271e-08 0.14085851e-11 2 0.56047309e+05-0.12750334e+03-0.29324217e+01 0.66043675e-01-0.39500475e-04 3 -0.31830381e-08 0.85300387e-11 0.65324043e+05 0.38058685e+02 4 cc6h7 1/19/95 thermc 6h 7 0 0g 300.000 5000.000 1397.000 01 1.45807530e+01 1.90472668e-02-6.57818915e-06 1.02815839e-09-5.99380191e-14 2 1.73949036e+04-5.69992223e+01-6.01550859e+00 6.95380134e-02-5.43113522e-05 3 2.16857946e-08-3.50034432e-12 2.42697461e+04 5.27055540e+01 4 lc6h7 5/ 7/91 thermc 6h 7 0 0g 300.000 5000.000 1405.000 21 1.76225860e+01 1.51976235e-02-5.15602211e-06 7.96188268e-10-4.60220066e-14 2 4.12781421e+04-6.76880771e+01-1.68717680e+00 6.97442629e-02-6.51384982e-05 3 3.08028076e-08-5.72894955e-12 4.70145566e+04 3.26256051e+01 4 c5h4ch3 a03/05c 6h 7 0 0g 200.000 6000.000 1 1.28996538e+01 2.12183240e-02-7.67565006e-06 1.24495899e-09-7.47731827e-14 2 2.12053775e+04-4.47534535e+01 5.64034275e-01 3.84201803e-02 1.94958520e-05 3 -5.95545053e-08 2.86869522e-11 2.53304225e+04 2.27464371e+01 2.72743433e+04 4 c5h5ch2-1 c 6h 70 00 0g 300.000 5000.000 1398.000 1 1.75854699e+01 1.58083012e-02-5.49671640e-06 8.63067187e-10-5.04754347e-14 2 3.08174859e+04-6.78115249e+01-3.42355668e+00 7.05975967e-02-6.11471177e-05 3 2.68157030e-08-4.69274460e-12 3.75067184e+04 4.29354487e+01 4 c5h5ch2-2 c 6h 70 00 0g 300.000 5000.000 1396.000 1 1.52937914e+01 1.84305481e-02-6.35986836e-06 9.93248621e-10-5.78637916e-14 2 1.91962522e+04-5.97458894e+01-5.39417365e+00 7.51043847e-02-6.77690358e-05 3 3.16886723e-08-5.91960482e-12 2.56132529e+04 4.85135887e+01 4 c5h5ch2-3 c 6h 70 00 0g 300.000 5000.000 1397.000 1 1.53787161e+01 1.83356361e-02-6.32188797e-06 9.86758405e-10-5.74626535e-14 2 2.21778975e+04-6.01469818e+01-5.34257890e+00 7.55933007e-02-6.88888970e-05 3 3.24825676e-08-6.10432744e-12 2.85588845e+04 4.81169777e+01 4 c3h2 g3b3 h 2c 3o 0n 0g 300.000 3000.000 1000.000 1 7.67920588e+00 3.85560826e-03-8.23429967e-07-6.18108592e-11 2.93114202e-14 2 6.29136323e+04-1.42211873e+01 4.52861333e+00 1.77565501e-02-2.54882946e-05 3 2.01674629e-08-6.28544707e-12 6.35410087e+04 8.09423748e-01 1.47345689e+04 4 n-c6h5 hw /94c 6h 5 0 0g 300.000 3000.000 1 0.16070068e+02 0.81899539e-02 0.17325165e-05-0.20624185e-08 0.36292345e-12 2 0.64616867e+05-0.56163742e+02-0.61135769e+00 0.65082610e-01-0.78262397e-04 3 0.53030828e-07-0.14946683e-10 0.68805375e+05 0.27635468e+02 4 c5h52 hr 10/00 blypc 5h 5 0 0g 300.000 5000.000 1403.000 1 1.23503328e+01 1.31278894e-02-4.49680943e-06 6.98998158e-10-4.05941466e-14 2 4.29602305e+04-4.38813502e+01-3.71635176e+00 5.57854643e-02-4.85524520e-05 3 2.15232840e-08-3.80152957e-12 4.79911937e+04 4.05280169e+01 4 c5h2 20587c 5h 2 g 0300.00 5000.00 1000.00 1 0.01132917e+03 0.07424057e-01-0.02628189e-04 0.04082541e-08-0.02301333e-12 2 0.07878706e+06-0.03617117e+03 0.03062322e+02 0.02709998e+00-0.01009170e-03 3 -0.01272745e-06 0.09167219e-10 0.08114969e+06 0.07071078e+02 4 c4h p 1/93c 4h 1 0 0g 300.000 3000.000 1 0.77697593e+01 0.49829976e-02-0.17628546e-05 0.28144284e-09-0.16689869e-13 2 0.94345900e+05-0.14165274e+02 0.13186295e+01 0.38582956e-01-0.71385623e-04 3 0.65356359e-07-0.22617666e-10 0.95456106e+05 0.15567583e+02 4 c6h2 p 1/93c 6h 2 0 0g 300.000 3000.000 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 c8h t11/07c 8h 1 0 0g 200.000 6000.000 1 1.54383071e+01 9.24389936e-03-3.39124765e-06 5.55261097e-10-3.35697449e-14 2 1.42424404e+05-4.91897494e+01 1.00474547e+00 8.10704290e-02-1.50045030e-04 3 1.37957614e-07-4.81751083e-11 1.45107015e+05 1.82487241e+01 1.47934154e+05 4 c8h2 linear t11/07c 8h 2 0 0g 200.000 6000.000 1 1.63586996e+01 1.08592595e-02-3.91654796e-06 6.34107033e-10-3.80413156e-14 2 1.02366984e+05-5.56746562e+01-3.26701608e-01 9.43328676e-02-1.72876384e-04 3 1.56816538e-07-5.40488426e-11 1.05392079e+05 2.20322120e+01 1.08244503e+05 4 c2h l 1/91c 2h 1 00 00g 200.000 3500.000 1000.000 1 3.16780652e+00 4.75221902e-03-1.83787077e-06 3.04190252e-10-1.77232770e-14 2 6.71210650e+04 6.63589475e+00 2.88965733e+00 1.34099611e-02-2.84769501e-05 3 2.94791045e-08-1.09331511e-11 6.68393932e+04 6.22296438e+00 1.04544720e+04 4 c6h4c2h3 hw /94c 8h 7 0 0g 300.000 3000.000 1 0.11563599e+02 0.30210810e-01-0.11545593e-04 0.17302320e-08-0.52379765e-13 2 0.40498492e+05-0.34882965e+02-0.38868685e+01 0.68168961e-01-0.34805875e-04 3 -0.56410254e-08 0.80714758e-11 0.44941359e+05 0.45943188e+02 4 c5h4cc2h2 enzocybut08/06c 8h 6. 0. 0.g 200.000 6000.000 1000. 1 1.46814136e+01 2.27435710e-02-8.23048840e-06 1.33587753e-09-8.02909523e-14 2 4.22562172e+04-5.65249193e+01-4.49261004e-01 3.77029460e-02 4.69708193e-05 3 -9.90233463e-08 4.52489247e-11 4.75307311e+04 2.75548196e+01 4.93132204e+04 4 c6h3c2h c 8h 4 g 300.000 5000.000 1000.00 1 8.98848900e+00 2.80770877e-02-1.07254066e-05 1.90108784e-09-1.27777716e-13 2 7.80045676e+04-2.03200448e+01-1.04246987e+00 6.23596981e-02-5.33874845e-05 3 2.45012480e-08-4.31751147e-12 8.03028206e+04 2.95338396e+01 4 c6h5chch3ooh thergas c 8h 10o 2 g 0300.00 5000.00 1000.00 1 -0.31565318e+01 0.72488472e-01-0.31781656e-04 0.60659939e-08-0.42418182e-12 2 -0.75729609e+04 0.52722046e+02-0.80470219e+01 0.11141342e+00-0.84831234e-04 3 0.23181402e-07 0.13341983e-11-0.90922773e+04 0.67959465e+02 4 c6h5chch3o mthergas c 8h 9o 1 g 0300.00 5000.00 1000.00 1 -0.26841152e+01 0.63683085e-01-0.26554239e-04 0.48910964e-08-0.33337355e-12 2 0.11209342e+05 0.45193958e+02-0.10515040e+02 0.10946906e+00-0.87473454e-04 3 0.28099876e-07-0.67344112e-12 0.10719505e+05 0.76310471e+02 4 oc6h4c2h5 c 8h 9o 1 g 300.000 5000.000 1000.00 1 1.39919592e+01 3.70879040e-02-1.49764304e-05 2.76513896e-09-1.91572796e-13 2 -7.24262627e+03-4.76232416e+01 8.02318896e-01 5.15632355e-02 2.07354167e-05 3 -5.93259887e-08 2.49020165e-11-2.69053674e+03 2.55799557e+01 4 c6h4c2h5 c 8h 9 g 300.000 5000.000 1000.00 1 1.18902439e+01 3.61059407e-02-1.45474090e-05 2.68142778e-09-1.85537692e-13 2 2.83533550e+04-3.78397523e+01 2.02243922e-01 4.63944836e-02 2.47149622e-05 3 -5.99569435e-08 2.45899194e-11 3.25141279e+04 2.76639557e+01 4 c6h4(c2h)2 hw /94c 10h 6 0 0g 300.000 3000.000 1 0.39766785e+02-0.24939798e-01 0.34210185e-04-0.14473258e-07 0.20104023e-11 2 0.50136750e+05-0.18657632e+03-0.75570364e+01 0.12159592e+00-0.15138849e-03 3 0.10287488e-06-0.28950911e-10 0.62914168e+05 0.55213287e+02 4 c10h6-1 hr12/99 blyp c 10h 6 0 0g 300.000 5000.000 1401.000 01 2.26743828e+01 1.98529546e-02-6.86764509e-06 1.07482892e-09-6.27247999e-14 2 4.86149947e+04-9.97586064e+01-5.91383758e+00 9.53032669e-02-8.40320825e-05 3 3.71175012e-08-6.49277297e-12 5.75780222e+04 5.05400652e+01 4 c10h6-2 hr12/99blyp00c 10h 6 0 0g 300.000 5000.000 1401.000 01 2.27563525e+01 1.97983673e-02-6.85196907e-06 1.07269721e-09-6.26130244e-14 2 4.98909571e+04-1.00848492e+02-5.71085200e+00 9.46608203e-02-8.30702095e-05 3 3.64968043e-08-6.35095707e-12 5.88368563e+04 4.88989311e+01 4 c9h9-1 cnrs2000 c 9h 9o 0 g 0300.00 5000.00 1000.00 1 3.44881e+00 1.15524e-02 -4.20795e-06 7.01596e-10 -4.44089e-14 2 4.43492e+03 2.75478e+00 1.06964e+00 1.63341e-02 -7.77930e-06 3 2.51462e-09 -7.05979e-13 5.29277e+03 1.57546e+01 4 c9h10 t 1/96c 9h 10o 0 g 298.150 5000.000 1000. 1 0.18890862e+02 0.31553549e-01-0.12056696e-04 0.21436164e-08-0.14430356e-12 2 0.43332577e+04-0.75568080e+02 0.58431766e+01 0.17489030e-01 0.12112118e-03 3 -0.17951022e-06 0.75443868e-10 0.10316404e+05 0.36919595e+01 0.13586850e+05 4 ch2c6h4c2h3 usse2010 c 9h 9o 0 g 0300.00 5000.00 1000.00 1 1.70648122e+01 3.28892095e-02-1.28323249e-05 2.29479720e-09-1.54348164e-13 2 2.48599234e+04-6.61223497e+01-5.67362805e+00 9.67482623e-02-7.49811328e-05 3 2.31114824e-08-1.30018265e-14 3.11297550e+04 5.11628285e+01 4 ch3c6h4c2h3 sse2010 c 9h 10o 0 g 0300.00 5000.00 1000.00 1 -0.64905424e+01 0.74284628e-01-0.32960350e-04 0.63375678e-08-0.44518054e-12 2 0.15234238e+05 0.65877571e+02-0.45196443e+01 0.92458449e-01-0.64155669e-04 3 0.13829308e-07 0.29229772e-11 0.12028299e+05 0.46347641e+02 4 c9h6ch2 matsugi2013 c 10h 8 0 0g 300.000 5000.000 1401.00 1 2.37888939e+01 2.39146033e-02-8.24877665e-06 1.28829948e-09-7.50678039e-14 2 1.43968777e+04-1.07094280e+02-8.01337918e+00 1.08401947e-01-9.55671696e-05 3 4.25996671e-08-7.54462202e-12 2.43488603e+04 5.99659944e+01 4 c9h7ch2 matsugi2013 c 10h 9 0 0g 300.000 5000.000 1400.00 1 2.48973930e+01 2.55147986e-02-8.79922194e-06 1.37404921e-09-8.00535169e-14 2 1.83072953e+04-1.12654689e+02-8.02975915e+00 1.12889393e-01-9.91274443e-05 3 4.41732177e-08-7.83596047e-12 2.86367245e+04 6.03761192e+01 4 a2o-1 hr 6/99 blyp c 10h 7o 1 0g 300.000 5000.000 1401.000 01 2.55199785e+01 2.25375617e-02-7.79622686e-06 1.22014387e-09-7.12043903e-14 2 -9.13287721e+02-1.15169184e+02-7.45889821e+00 1.10408595e-01-9.86444941e-05 3 4.41246608e-08-7.80459565e-12 9.35231821e+03 5.79329757e+01 4 a2o-2 hr 6/99 blyp c 10h 7o 1 0g 300.000 5000.000 1403.000 01 2.55976281e+01 2.24775925e-02-7.77612184e-06 1.21700823e-09-7.10201185e-14 2 9.06605861e+02-1.15554102e+02-7.30371611e+00 1.10120287e-01-9.82564465e-05 3 4.38428145e-08-7.73044601e-12 1.11390084e+04 5.71293774e+01 4 a2oh-1 hr 6/99 blyp c 10h 8o 1 0g 300.000 5000.000 1395.000 11 2.61461217e+01 2.46035266e-02-8.61118350e-06 1.35779500e-09-7.96351828e-14 2 -1.62253653e+04-1.17940723e+02-7.42523947e+00 1.15882243e-01-1.06394867e-04 3 4.96248553e-08-9.19061783e-12-5.79458155e+03 5.78975921e+01 4 a2oh-2 hr 6/99 blyp c 10h 8o 1 0g 300.000 5000.000 1394.000 11 2.60758935e+01 2.46910885e-02-8.64754101e-06 1.36410864e-09-8.00285533e-14 2 -1.61139144e+04-1.18755598e+02-8.31179579e+00 1.19635782e-01-1.12084722e-04 3 5.32313499e-08-1.00013101e-11-5.54787579e+03 6.08896927e+01 4 a2-1 hw /94c 10h 7 0 0g 300.000 3000.000 1 0.38380905e+02-0.23157451e-01 0.35479272e-04-0.15395457e-07 0.21609069e-11 2 0.32698469e+05-0.18106512e+03-0.85287294e+01 0.10334599e+00-0.91922702e-04 3 0.43147448e-07-0.85738135e-11 0.46335004e+05 0.63342224e+02 4 a2-2 hw /94c 10h 7 0 0g 300.000 3000.000 1 0.37326401e+02-0.20478070e-01 0.33183067e-04-0.14576987e-07 0.20569137e-11 2 0.32840301e+05-0.17537704e+03-0.38448524e+01 0.70514679e-01-0.93748040e-05 3 -0.44051607e-07 0.24267865e-10 0.45627656e+05 0.43582001e+02 4 a2 llye/11c 10h 8 g 300.000 5000.000 1000.00 1 1.46974627e+01 3.68553332e-02-1.50204389e-05 2.79212645e-09-1.94420767e-13 2 9.63935752e+03-5.69348623e+01-4.06639664e+00 7.02480560e-02-2.61545121e-06 3 -4.71405800e-08 2.27044345e-11 1.54752651e+04 4.40055913e+01 4 c5h5-c5h5 6/22/94 thermc 10h 10 0 0g 300.000 5000.000 1390.000 01 2.37376593e+01 3.04584890e-02-1.08284032e-05 1.72545836e-09-1.01947418e-13 2 1.46634901e+04-1.07726856e+02-2.04390488e+01 1.33899523e-01-1.01916956e-04 3 3.75374041e-08-5.40373749e-12 2.97634367e+04 1.29084476e+02 4 c5h5-c5h4 9/ 2/93 thermc 10h 9 0 0g 300.000 5000.000 1399.000 01 2.45083550e+01 2.64757146e-02-9.27286602e-06 1.46300495e-09-8.58478665e-14 2 3.23863450e+04-1.13439904e+02-1.34109066e+01 1.24639346e-01-1.07874970e-04 3 4.68295361e-08-8.08624375e-12 4.44966038e+04 8.66451589e+01 4 c9h7ch3 a03/05c 10h 10o 0 g 200.000 6000.000 1 1.86540860e+01 3.48863580e-02-1.26166897e-05 2.04645995e-09-1.22929258e-13 2 1.15449258e+04-7.76150716e+01 1.18875957e+00 4.18832401e-02 8.16146240e-05 3 -1.44935702e-07 6.30963635e-11 1.82030553e+04 2.21078212e+01 2.08834916e+04 4 c6h4(c2h3)2 c 10h 10 g 300.000 5000.000 5000.00 1 5.60848905e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -1.44640324e+04-3.08906342e+02 3.54769133e+00 6.32681160e-02-2.97482733e-05 3 6.21023998e-09-4.74202473e-13 2.29084499e+04 9.41010680e+00 4 c2h4c6h4c2h3 c 10h 11 g 300.000 5000.000 1000.00 1 1.70180043e+01 4.26012995e-02-1.71156353e-05 3.14899603e-09-2.17621781e-13 2 2.82025965e+04-6.33261200e+01 3.25517974e-03 7.05322722e-02 1.17994144e-06 3 -4.91760790e-08 2.28956529e-11 3.36119476e+04 2.87922152e+01 4 c9h8ch3 c 10h 11 g 300.000 5000.000 5000.00 1 5.89344512e+01 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -2.21709548e+04-3.29232464e+02 1.57041459e+00 6.95644403e-02-3.28229474e-05 3 6.86333912e-09-5.24482994e-13 1.81216645e+04 1.77907635e+01 4 ch2c6h4c3h5 c 10h 11 g 300.000 5000.000 1000.00 1 1.67483463e+01 4.28772793e-02-1.72330966e-05 3.17171024e-09-2.19256527e-13 2 2.32349897e+04-6.31821545e+01-1.76504593e+00 7.66199814e-02-7.38084916e-06 3 -4.37073217e-08 2.15782182e-11 2.89532115e+04 3.62119782e+01 4 c2h2c6h4c2h hw /94c 10h 7 0 0g 300.000 3000.000 1 0.37523422e+02-0.17028838e-01 0.28777416e-04-0.12719674e-07 0.17976818e-11 2 0.61041488e+05-0.17188731e+03-0.63184557e+01 0.11657917e+00-0.13638573e-03 3 0.88823526e-07-0.24348468e-10 0.72977062e+05 0.52624207e+02 4 p2 th1011corrc 12h 10 0 0g 300.000 5000.000 1399.00 1 2.80048847e+01 3.04182301e-02-1.05632235e-05 1.65703989e-09-9.68431697e-14 2 7.60008446e+03-1.30404203e+02-1.06222431e+01 1.30784097e-01-1.12105297e-04 3 4.88250011e-08-8.50243029e-12 1.99380068e+04 7.33482812e+01 4 c13h10 hr11/99 blyp c 13h 10 0 0g 300.000 5000.000 1400.000 01 3.04476803e+01 3.11178654e-02-1.07640759e-05 1.68444388e-09-9.82875496e-14 2 5.92347405e+03-1.45855799e+02-1.14291780e+01 1.40625771e-01-1.21919889e-04 3 5.33286885e-08-9.28204948e-12 1.91832070e+04 7.47141338e+01 4 a3 hw /94c 14h 10 0 0g 300.000 3000.000 1 0.55916473e+02-0.35253201e-01 0.52522926e-04-0.22672634e-07 0.31770584e-11 2 0.32654609e+04-0.27604980e+03-0.12275226e+02 0.15032256e+00-0.13862801e-03 3 0.69376767e-07-0.15105445e-10 0.23030492e+05 0.78889145e+02 4 a4 hw /94c 16h 10 0 0g 300.000 3000.000 1 0.58017273e+02-0.29164989e-01 0.48728383e-04-0.21593682e-07 0.30609786e-11 2 0.43451016e+04-0.29017163e+03-0.13759249e+02 0.16772294e+00-0.15500121e-03 3 0.75759544e-07-0.15674045e-10 0.24996187e+05 0.82853027e+02 4 lc5h5 1yne3ene5yl a 1/05c 5h 5 0 0g 200.000 6000.000 1 1.08989728e+01 1.42904648e-02-5.02395287e-06 7.99341505e-10-4.73687380e-14 2 4.17506605e+04-3.03965620e+01 9.57517375e-02 4.93848014e-02-4.74598143e-05 3 2.22750663e-08-3.37834761e-12 4.44492650e+04 2.40272094e+01 4.62959333e+04 4 end e