! reference: ! Marinov, N. M., Pitz, W. J., Westbrook, C. K., Vincitore, A. M., ! Castaldi, M. J., Senkan, S. M. "Aromatic and Polycyclic Aromatic ! Hydrocarbon Formation in a Laminar Premixed n-Butane Flame" ! Combustion and Flame 114 192-213 (1998). ! UCRL-WEB-204236 ! Review and release date: May 19, 2004. ! thermo 300.000 1000.000 5000.000 (ch2o)3 70590c 3h 6o 3 g 0300.00 4000.00 1500.00 1 0.01913678e+03 0.08578044e-01-0.08882060e-05-0.03574819e-08 0.06605143e-12 2 -0.06560876e+06-0.08432507e+03-0.04662286e+02 0.06091547e+00-0.04710536e-03 3 0.01968843e-06-0.03563271e-10-0.05665404e+06 0.04525265e+03 4 (ch3)2sich2 61991h 8c 3si 1 g 0300.00 2500.00 1500.00 1 0.01547852e+03 0.01065700e+00-0.01234345e-05-0.01293352e-07 0.02528715e-11 2 -0.06693076e+04-0.05358884e+03 0.02027522e+02 0.04408673e+00-0.03370024e-03 3 0.01484466e-06-0.02830898e-10 0.03931454e+05 0.01815821e+03 4 al 62987al 1 g 0300.00 5000.00 0600.00 1 0.02559589e+02-0.01063224e-02 0.07202828e-06-0.02121105e-09 0.02289429e-13 2 0.03890214e+06 0.05234522e+02 0.02736825e+02-0.05912374e-02-0.04033938e-05 3 0.02322343e-07-0.01705599e-10 0.03886795e+06 0.04363880e+02 4 al2h6 62987al 2h 6 g 0300.00 1500.00 0600.00 1 0.02634884e+02 0.02135952e+00 0.03154151e-05-0.07684674e-07 0.02335832e-10 2 0.08871346e+05 0.09827515e+02-0.06800681e+02 0.05080744e+00 0.01039747e-03 3 -0.01119582e-05 0.08459155e-09 0.01060537e+06 0.05554526e+03 4 al2me6 62987al 2c 6h 18 g 0300.00 1500.00 0600.00 1 0.01773147e+03 0.04935747e+00 0.01196854e-04-0.01639826e-06 0.04890867e-10 2 -0.03855560e+06-0.05053298e+03-0.07159750e+01 0.01067109e+01 0.02117605e-03 3 -0.02193212e-05 0.01644144e-08-0.03515546e+06 0.03890763e+03 4 alas 62987al 1as 1 g 0300.00 1500.00 0600.00 1 0.04790027e+02-0.01908226e-03-0.01983390e-05 0.02239358e-08-0.06904706e-12 2 0.05259290e+06 0.03259703e+02 0.05047764e+02-0.06419947e-02-0.01432071e-04 3 0.04754391e-07-0.03297621e-10 0.05254264e+06 0.01985206e+02 4 alh 62987al 1h 1 g 0300.00 5000.00 1000.00 1 0.03392644e+02 0.01215399e-01-0.04676595e-05 0.08691625e-09-0.06022669e-13 2 0.03006845e+06 0.02758899e+02 0.03071503e+02 0.02165549e-01-0.03275638e-04 3 0.04136984e-07-0.01877121e-10 0.03021221e+06 0.04548855e+02 4 alh2 62987al 1h 2 g 0300.00 1500.00 0600.00 1 0.04486543e+02 0.03128832e-01-0.01969438e-05-0.01016030e-07 0.03497468e-11 2 0.01960959e+06 0.08167897e+01 0.02442137e+02 0.09915913e-01 0.02471083e-05 3 -0.02119583e-06 0.01710234e-09 0.01997588e+06 0.01065270e+03 4 alh3 62987al 1h 3 g 0300.00 1500.00 0600.00 1 0.04186838e+02 0.06159249e-01-0.03877593e-06-0.02061928e-07 0.06600276e-11 2 0.07908079e+05 0.05134396e+01 0.01008323e+02 0.01640324e+00 0.01976746e-04 3 -0.03528558e-06 0.02753378e-09 0.08484656e+05 0.01585838e+03 4 alme 62987al 1c 1h 3 g 0300.00 1500.00 0600.00 1 0.04662737e+02 0.07097939e-01 0.02520013e-05-0.02114863e-07 0.06097489e-11 2 0.08203228e+05 0.01769245e+02 0.02664176e+02 0.01324914e+00 0.02525848e-04 3 -0.02394396e-06 0.01761855e-09 0.08574173e+05 0.01147449e+03 4 alme2 62987al 1c 2h 6 g 0300.00 1500.00 0600.00 1 0.06481282e+02 0.01474605e+00 0.05816529e-05-0.04621347e-07 0.01396041e-10 2 0.03745072e+05-0.02603326e+02 0.09494573e+01 0.03206354e+00 0.06134021e-04 3 -0.06500042e-06 0.04911485e-09 0.04761408e+05 0.02419465e+03 4 alme3 62987al 1c 3h 9 g 0300.00 1500.00 0600.00 1 0.06654948e+02 0.02455144e+00 0.01176575e-04-0.07815023e-07 0.02255622e-10 2 -0.01340952e+06-0.03454481e+02-0.07027567e+01 0.04682764e+00 0.01149903e-03 3 -0.09160441e-06 0.06687294e-09-0.01203799e+06 0.03232771e+03 4 ar 120186ar 1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.07453750e+04 0.04366001e+02 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.07453750e+04 0.04366001e+02 4 ar+ 121286ar 1e -1 g 0300.00 5000.00 1000.00 1 0.02864864e+02-0.01203573e-02-0.01065199e-06 0.09074839e-10-0.09623876e-14 2 0.01827230e+07 0.03543585e+02 0.02301341e+02 0.08035529e-02-0.01758806e-05 3 -0.01781093e-08-0.08937268e-13 0.01829281e+07 0.06659358e+02 4 as 62987as 1 g 0300.00 1500.00 0600.00 1 0.02617011e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.03720455e+06 0.06995524e+02 0.02617011e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.03720455e+06 0.06995524e+02 4 as2 62987as 2 g 0300.00 1500.00 0600.00 1 0.04394201e+02 0.05389968e-02-0.02379401e-05-0.06541924e-09 0.05184186e-12 2 0.02235094e+06 0.04897919e+02 0.03682892e+02 0.03121811e-01-0.01074052e-04 3 -0.05629472e-07 0.05178811e-10 0.02247356e+06 0.08283423e+02 4 as3 62987as 3 g 0300.00 1500.00 0600.00 1 0.07404036e+02 0.07818426e-02-0.03918297e-05-0.05203629e-09 0.06291907e-12 2 0.03063825e+06-0.03417324e+02 0.06403142e+02 0.04477099e-01-0.01866642e-04 3 -0.07394750e-07 0.07012753e-10 0.03080965e+06 0.01337136e+02 4 as4 62987as 4 g 0300.00 1500.00 0600.00 1 0.09695766e+02 0.01306258e-01-0.05519564e-05-0.02150874e-08 0.01457935e-11 2 0.01571732e+06-0.01618870e+03 0.07853761e+02 0.07916509e-01-0.02329820e-04 3 -0.01526312e-06 0.01377435e-09 0.01603629e+06-0.07409755e+02 4 asalme 62987as 1al 1c 1h 3g 0300.00 1500.00 0600.00 1 0.07127107e+02 0.07357864e-01 0.02300796e-06-0.02226399e-07 0.06927227e-11 2 0.03273438e+06-0.01847179e+02 0.04053423e+02 0.01726125e+00 0.01833498e-04 3 -0.03386953e-06 0.02626981e-09 0.03329309e+06 0.01299665e+03 4 asalme2 62987as 1al 1c 2h 6g 0300.00 1500.00 0600.00 1 0.09909938e+02 0.01463850e+00 0.04118731e-05-0.04444658e-07 0.01329501e-10 2 0.02815111e+06-0.01523531e+03 0.04808530e+02 0.03067687e+00 0.05048001e-04 3 -0.05908099e-06 0.04462290e-09 0.02908817e+06 0.09471621e+02 4 asgaet 62987as 1ga 1c 2h 5g 0300.00 1500.00 0600.00 1 0.09081073e+02 0.01674632e+00 0.01283130e-05-0.05590436e-07 0.01781315e-10 2 0.03807443e+06-0.09142782e+02 0.06364698e+01 0.04382467e+00 0.06144686e-04 3 -0.09491641e-06 0.07374198e-09 0.03960893e+06 0.03164673e+03 4 asgaet2 62987as 1ga 1c 4h 10g 0300.00 1500.00 0600.00 1 0.01032429e+03 0.03073571e+00 0.01086335e-04-0.09971949e-07 0.02945979e-10 2 0.03039490e+06-0.01316402e+03-0.03539248e+01 0.06369772e+00 0.01359742e-03 3 -0.01286142e-05 0.09572181e-09 0.03236903e+06 0.03865086e+03 4 asgame 62987as 1ga 1c 1h 3g 0300.00 1500.00 0600.00 1 0.07322183e+02 0.06995479e-01 0.01069351e-05-0.01995283e-07 0.06040446e-11 2 0.03949449e+06-0.07416680e+01 0.04877266e+02 0.01482559e+00 0.01652124e-04 3 -0.02712058e-06 0.02080196e-09 0.03994071e+06 0.01107670e+03 4 asgame2 62987as 1ga 1c 2h 6g 0300.00 1500.00 0600.00 1 0.09352436e+02 0.01504820e+00 0.05157975e-05-0.04553518e-07 0.01348763e-10 2 0.03735856e+06-0.01218114e+03 0.04382076e+02 0.03056345e+00 0.05477067e-04 3 -0.05834108e-06 0.04373509e-09 0.03827434e+06 0.01191111e+03 4 asgameh 62987as 1ga 1c 1h 4g 0300.00 1500.00 0600.00 1 0.07842794e+02 0.09682097e-01 0.01060306e-05-0.02991402e-07 0.09382673e-11 2 0.04435297e+06-0.05093455e+02 0.03585119e+02 0.02336317e+00 0.02873356e-04 3 -0.04737895e-06 0.03674461e-09 0.04512703e+06 0.01547160e+03 4 ash 62987as 1h 1 g 0300.00 1500.00 0600.00 1 0.03219848e+02 0.01001250e-01-0.04874997e-08-0.01107653e-08-0.09254321e-13 2 0.03008176e+06 0.06647311e+02 0.03865843e+02-0.01157571e-01-0.03494372e-05 3 0.07079686e-07-0.06014028e-10 0.02996829e+06 0.03549869e+02 4 ash2 62987as 1h 2 g 0300.00 1500.00 0600.00 1 0.03428307e+02 0.03181140e-01 0.01460484e-05-0.07937145e-08 0.01694414e-11 2 0.02010282e+06 0.02904703e+02 0.03778945e+02 0.01759233e-01 0.08070807e-05 3 0.02358763e-07-0.03043521e-10 0.02004862e+06 0.01272974e+02 4 ash3 62987as 1h 3 g 0300.00 1500.00 0600.00 1 0.04172022e+02 0.04371323e-01 0.02177574e-05-0.01183264e-07 0.04536374e-11 2 0.06882916e+05 0.02803477e+02 0.09446356e+01 0.01508469e+00 0.01201696e-04 3 -0.03397465e-06 0.02767656e-09 0.07459168e+05 0.01832268e+03 4 asme 62987as 1c 1h 3 g 0300.00 1500.00 0600.00 1 0.04657260e+02 0.06976298e-01 0.02147557e-05-0.02101159e-07 0.06082150e-11 2 0.02806423e+06 0.03409835e+02 0.02625270e+02 0.01325242e+00 0.02441628e-04 3 -0.02419567e-06 0.01786944e-09 0.02844080e+06 0.01327336e+03 4 asme2 62987as 1c 2h 6 g 0300.00 1500.00 0600.00 1 0.05981395e+02 0.01521284e+00 0.06993355e-05-0.04721619e-07 0.01369912e-10 2 0.01467985e+06 0.01192741e+02 0.01390400e+02 0.02923331e+00 0.06598871e-04 3 -0.05620560e-06 0.04130368e-09 0.01553302e+06 0.02349981e+03 4 asme3 62987as 1c 3h 9 g 0300.00 1500.00 0600.00 1 0.06347764e+02 0.02466454e+00 0.01154629e-04-0.07877436e-07 0.02202225e-10 2 -0.01617323e+05-0.06316786e+01 0.02667388e+01 0.04253171e+00 0.01165106e-03 3 -0.07914706e-06 0.05603127e-09-0.04685540e+04 0.02904591e+03 4 be 81392be 1 g 0300.00 5000.00 1000.00 1 0.02380618e+02 0.02339856e-02-0.01453949e-05 0.03111727e-09-0.01072959e-13 2 0.03868083e+06 0.02787792e+02 0.02403493e+02 0.06166087e-02-0.01321925e-04 3 0.01144806e-07-0.03437304e-11 0.03864894e+06 0.02549853e+02 4 be(s) 81392be 1 s 0300.00 3000.00 1000.00 1 0.01898768e+02 0.01629382e-01-0.03547406e-05 0.01247349e-08-0.01578507e-12 2 -0.06527011e+04-0.01020412e+03-0.09092963e+01 0.01585668e+00-0.02624182e-03 3 0.02044924e-06-0.05872448e-10-0.02390556e+04 0.02598871e+02 4 be2sio4(s) 81392be 2o 4si 1 s 0300.00 3000.00 1000.00 1 0.01695617e+03 0.06266472e-01-0.02841325e-04 0.06379149e-08-0.04780890e-12 2 -0.02614324e+07-0.09398438e+03-0.06380159e+02 0.09333352e+00-0.01415477e-02 3 0.01101948e-05-0.03462902e-09-0.02558671e+07 0.02162977e+03 4 be3b2o6(s) 81392b 2be 3o 6 s 0300.00 3000.00 1000.00 1 0.02640267e+03 0.01142674e+00-0.03773479e-04 0.04332047e-08 0.02356543e-12 2 -0.03849576e+07-0.01487137e+04-0.05230657e+02 0.01105769e+01-0.01614054e-02 3 0.01447797e-05-0.05420786e-09-0.03755957e+07 0.01490974e+03 4 be3n2(a) 81392be 3n 2 s 0300.00 3000.00 1000.00 1 0.01097008e+03 0.06416846e-01-0.02938928e-04 0.04564651e-08-0.05509703e-13 2 -0.07519767e+06-0.06231286e+03-0.08167547e+02 0.08515091e+00-0.01355569e-02 3 0.01060406e-05-0.03256815e-09-0.07110460e+06 0.03040606e+03 4 be3n2(l) 81392be 3n 2 l 0300.00 4000.00 1000.00 1 0.01610468e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.06338252e+06-0.08701469e+03 0.01610468e+03 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.06338252e+06-0.08701468e+03 4 beal2o4(s) 81392al 2be 1o 4 s 0300.00 2400.00 1000.00 1 0.01118219e+03 0.01677777e+00-0.06692989e-04-0.01497360e-07 0.01203700e-10 2 -0.02810337e+07-0.06116527e+03-0.07257604e+02 0.01074554e+01-0.01713422e-02 3 0.01295274e-05-0.03740965e-09-0.02780832e+07 0.02383770e+03 4 beb2o4 81392b 2be 1o 4 g 0300.00 5000.00 1000.00 1 0.01266018e+03 0.06883210e-01-0.02963169e-04 0.05694789e-08-0.04050458e-12 2 -0.01672990e+07-0.03636876e+03 0.04012008e+02 0.03052847e+00-0.02571938e-03 3 0.09738810e-07-0.01450712e-10-0.01648983e+07 0.08399628e+02 4 bebo2 81392b 1be 1o 2 g 0300.00 5000.00 1000.00 1 0.06831273e+02 0.03424464e-01-0.01471236e-04 0.02825118e-08-0.02008790e-12 2 -0.06047559e+06-0.08730609e+02 0.02426203e+02 0.01572415e+00-0.01309160e-03 3 0.04244447e-07-0.02562806e-11-0.05929016e+06 0.01394744e+03 4 bebr 81392be 1br 1 g 0300.00 5000.00 1000.00 1 0.04166357e+02 0.04424462e-02-0.01713095e-05 0.03185381e-09-0.01964221e-13 2 0.01313080e+06 0.03473875e+02 0.03178756e+02 0.03144181e-01-0.01989189e-04 3 -0.04871910e-08 0.06208255e-11 0.01337870e+06 0.08520506e+02 4 bebr2 81392be 1br 2 g 0300.00 5000.00 1000.00 1 0.06814040e+02 0.07848450e-02-0.03497501e-05 0.06885841e-09-0.04984129e-13 2 -0.02974764e+06-0.06362110e+02 0.05216331e+02 0.05128972e-01-0.03678726e-04 3 0.08525872e-09 0.05611721e-11-0.02932967e+06 0.01847829e+02 4 bebr2(s) 81392be 1br 2 s 0300.00 1500.00 1000.00 1 0.07680161e+02 0.03193456e-01-0.02439097e-05-0.09487536e-08 0.03902210e-11 2 -0.04528092e+06-0.03282152e+03 0.05659917e+02 0.08805599e-01-0.02790316e-04 3 -0.04611400e-07 0.03007373e-10-0.04482571e+06-0.02263852e+03 4 becl 81392be 1cl 1 g 0300.00 5000.00 1000.00 1 0.04072243e+02 0.05328307e-02-0.02146892e-05 0.04097687e-09-0.02774848e-13 2 0.05990792e+05 0.02639872e+02 0.03006275e+02 0.03385550e-01-0.02274674e-04 3 -0.01333438e-08 0.04447782e-11 0.06271131e+05 0.08126810e+02 4 becl2 81392be 1cl 2 g 0300.00 5000.00 1000.00 1 0.06656109e+02 0.09583935e-02-0.04248637e-05 0.08333911e-09-0.06016211e-13 2 -0.04547842e+06-0.08159565e+02 0.04835084e+02 0.05899051e-01-0.04307799e-04 3 0.03113267e-08 0.05292957e-11-0.04499748e+06 0.01210616e+02 4 becl2(a) 81392be 1cl 2 s 0300.00 1500.00 1000.00 1 0.08380054e+02 0.02572312e-01-0.07554892e-05-0.02368242e-08 0.01042547e-11 2 -0.06177281e+06-0.03886076e+03 0.08074927e+01 0.03830225e+00-0.06255340e-03 3 0.04645940e-06-0.01295143e-09-0.06052883e+06-0.03683825e+02 4 becl2(b) 81392be 1cl 2 s 0300.00 1500.00 1000.00 1 0.07791771e+02 0.02945389e-01-0.04237093e-05-0.05339604e-08 0.01505044e-11 2 -0.06231958e+06-0.03656698e+03 0.03004424e+02 0.02353211e+00-0.03553037e-03 3 0.02706855e-06-0.08144728e-10-0.06136495e+06-0.01365758e+03 4 beclf 81392be 1cl 1f 1 g 0300.00 5000.00 1000.00 1 0.06393787e+02 0.01234948e-01-0.05412476e-05 0.01053150e-08-0.07557553e-13 2 -0.07104831e+06-0.07478512e+02 0.04405415e+02 0.06642228e-01-0.05154354e-04 3 0.01063175e-07 0.02287810e-11-0.07051262e+06 0.02777586e+02 4 bef 81392be 1f 1 g 0300.00 5000.00 1000.00 1 0.03741370e+02 0.08524818e-02-0.03436428e-05 0.06466099e-09-0.04475089e-13 2 -0.02167667e+06 0.02968223e+02 0.02905108e+02 0.02952099e-01-0.02747617e-04 3 0.01918800e-07-0.07179964e-11-0.02140972e+06 0.07407617e+02 4 bef2 81392be 1f 2 g 0300.00 5000.00 1000.00 1 0.06008875e+02 0.01636431e-01-0.07094651e-05 0.01370220e-08-0.09780462e-13 2 -0.09777056e+06-0.07723693e+02 0.03801759e+02 0.07737988e-01-0.06427724e-04 3 0.02097328e-07-0.01462695e-11-0.09717092e+06 0.03660784e+02 4 bef2(l) 81392be 1f 2 l 0300.00 2000.00 1000.00 1 0.05976585e+02 0.04777009e-01-0.05064131e-05 0.05012404e-09 0.08570416e-13 2 -0.01251277e+07-0.02873833e+03-0.05587355e+01 0.03423905e+00-0.05210078e-03 3 0.04099400e-06-0.01226767e-09-0.01239060e+07 0.02162308e+02 4 beh 81392be 1h 1 g 0300.00 5000.00 1000.00 1 0.03103757e+02 0.01443026e-01-0.05486383e-05 0.09992518e-09-0.06823073e-13 2 0.03762032e+06 0.03113887e+02 0.03220220e+02 0.01660638e-01-0.03759811e-04 3 0.05403578e-07-0.02433378e-10 0.03762484e+06 0.02536116e+02 4 beh+ 81392be 1h 1e -1 g 0300.00 5000.00 1000.00 1 0.02935026e+02 0.01642881e-01-0.06606950e-05 0.01253854e-08-0.08322438e-13 2 0.01381605e+07 0.03342443e+02 0.03203174e+02 0.01918095e-01-0.04743515e-04 3 0.06392785e-07-0.02736265e-10 0.01380944e+07 0.01849186e+02 4 beh2 81392be 1h 2 g 0300.00 5000.00 1000.00 1 0.03274395e+02 0.04312822e-01-0.01774785e-04 0.03298131e-08-0.02286391e-12 2 0.01367913e+06 0.03758700e+01 0.01761472e+02 0.08827701e-01-0.01241923e-03 3 0.01412574e-06-0.06176309e-10 0.01426447e+06 0.08573833e+02 4 beh2o2 81392be 1h 2o 2 g 0300.00 5000.00 1000.00 1 0.07694718e+02 0.04893975e-01-0.01780895e-04 0.03055611e-08-0.02009121e-12 2 -0.08403520e+06-0.01751820e+03 0.03118833e+02 0.01997183e+00-0.01673101e-03 3 0.03275766e-07 0.01457848e-10-0.08305301e+06 0.05128545e+02 4 beh2o2(a) 81392be 1h 2o 2 s 0300.00 1000.00 1000.00 1 0.01357669e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01138925e+07-0.07369071e+03-0.07121292e+02 0.08378375e+00-0.01435144e-02 3 0.01164084e-05-0.03597983e-09-0.01091544e+07 0.02745148e+03 4 beh2o2(b) 81392be 1h 2o 2 s 0300.00 1000.00 1000.00 1 0.01357669e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01142447e+07-0.07409333e+03-0.07121292e+02 0.08378375e+00-0.01435144e-02 3 0.01164084e-05-0.03597983e-09-0.01095066e+07 0.02704887e+03 4 bei 81392be 1i 1 g 0300.00 5000.00 1000.00 1 0.04226574e+02 0.03948427e-02-0.01549696e-05 0.03023851e-09-0.01932301e-13 2 0.01912832e+06 0.04229493e+02 0.03358791e+02 0.02864276e-01-0.01889889e-04 3 -0.04370942e-08 0.05986692e-11 0.01933641e+06 0.08627578e+02 4 bei2 81392be 1i 2 g 0300.00 5000.00 1000.00 1 0.06974217e+02 0.06094573e-02-0.02739783e-05 0.05428767e-09-0.03948833e-13 2 -0.09890086e+05-0.05063732e+02 0.05564008e+02 0.04472664e-01-0.03090745e-04 3 -0.02609722e-08 0.06750777e-11-0.09529549e+05 0.02158152e+02 4 bei2(s) 81392be 1i 2 s 0300.00 1500.00 1000.00 1 0.08868316e+02 0.02591978e-01-0.07796846e-05-0.02236952e-08 0.01016032e-11 2 -0.02556556e+06-0.03709859e+03 0.01301872e+02 0.03830115e+00-0.06255080e-03 3 0.04645675e-06-0.01295046e-09-0.02432303e+06-0.01952190e+02 4 ben 81392be 1n 1 g 0300.00 5000.00 1000.00 1 0.03799137e+02 0.08135072e-02-0.03271826e-05 0.06267597e-09-0.04443547e-13 2 0.05006582e+06 0.03013958e+02 0.02880282e+02 0.03157848e-01-0.02749300e-04 3 0.01549304e-07-0.04944407e-11 0.05034622e+06 0.07854857e+02 4 beo(a) 81392be 1o 1 s 0300.00 3500.00 1000.00 1 0.04606101e+02 0.01465013e-01-0.09316989e-06-0.08839902e-09 0.01840163e-12 2 -0.07492927e+06-0.02579358e+03-0.01187545e+01 0.01231168e+00-0.02298405e-04 3 -0.09318502e-07 0.05331928e-10-0.07364786e+06-0.01151163e+02 4 beo(b) 81392be 1o 1 s 0300.00 3500.00 1000.00 1 0.04606101e+02 0.01465013e-01-0.09316989e-06-0.08839902e-09 0.01840163e-12 2 -0.07412403e+06-0.02545418e+03-0.01187545e+01 0.01231168e+00-0.02298405e-04 3 -0.09318502e-07 0.05331928e-10-0.07284262e+06-0.08117651e+01 4 beoh 81392be 1h 1o 1 g 0300.00 5000.00 1000.00 1 0.04580703e+02 0.02444079e-01-0.08794693e-05 0.01484750e-08-0.09530468e-13 2 -0.01534682e+06-0.01819725e+02 0.02577868e+02 0.08977628e-01-0.07867956e-04 3 0.02536139e-07 0.06057864e-12-0.01489220e+06 0.08162645e+02 4 bes(s) 81392be 1s 1 s 0300.00 3000.00 1000.00 1 0.04944107e+02 0.03098929e-01-0.01308985e-04 0.02564670e-08-0.01377673e-12 2 -0.03004408e+06-0.02521191e+03-0.03045166e+02 0.03934537e+00-0.06572406e-03 3 0.05230436e-06-0.01590377e-09-0.02854032e+06 0.01256033e+03 4 beso4(a) 81392be 1o 4s 1 s 0300.00 2300.00 1000.00 1 0.02081235e+01 0.03035540e+00-0.07769396e-04-0.02942517e-07 0.01112249e-10 2 -0.01455278e+07 0.02609183e+01-0.08960041e+02 0.01179726e+01-0.02438390e-02 3 0.02430177e-05-0.08722741e-09-0.01453005e+07 0.03410812e+03 4 beso4(b) 81392be 1o 4s 1 s 0300.00 2300.00 1000.00 1 0.02081235e+01 0.03035540e+00-0.07769396e-04-0.02942517e-07 0.01112249e-10 2 -0.01453939e+07 0.04157230e+01-0.08960041e+02 0.01179726e+01-0.02438390e-02 3 0.02430177e-05-0.08722741e-09-0.01451667e+07 0.03426292e+03 4 beso4(gam) 81392be 1o 4s 1 s 0300.00 2300.00 1000.00 1 0.02081235e+01 0.03035540e+00-0.07769396e-04-0.02942517e-07 0.01112249e-10 2 -0.01430422e+07 0.03005051e+02-0.08960041e+02 0.01179726e+01-0.02438390e-02 3 0.02430177e-05-0.08722741e-09-0.01428148e+07 0.03685225e+03 4 c 121086c 1 g 0300.00 5000.00 1000.00 1 0.02602087e+02-0.01787081e-02 0.09087041e-06-0.01149933e-09 0.03310844e-14 2 0.08542154e+06 0.04195177e+02 0.02498585e+02 0.08085777e-03-0.02697697e-05 3 0.03040729e-08-0.01106652e-11 0.08545878e+06 0.04753459e+02 4 c(s) 121286c 1 s 0300.00 5000.00 1000.00 1 0.01490166e+02 0.01662126e-01-0.06687204e-05 0.01290880e-08-0.09205334e-13 2 -0.07074019e+04-0.08717785e+02-0.06705661e+01 0.07181500e-01-0.05632921e-04 3 0.02142299e-07-0.04168562e-11-0.07339498e+03 0.02601596e+02 4 c+ 120186c 1e -1 g 0300.00 5000.00 1000.00 1 0.02511827e+02-0.01735978e-03 0.09504268e-07-0.02218852e-10 0.01862189e-14 2 0.02166772e+07 0.04286130e+02 0.02595384e+02-0.04068665e-02 0.06892367e-05 3 -0.05266488e-08 0.01508338e-11 0.02166628e+07 0.03895730e+02 4 c- 121686c 1e 1 g 0300.00 5000.00 1000.00 1 0.02990221e+02-0.09184596e-02 0.05055560e-05-0.07703410e-09 0.03163271e-13 2 0.06983931e+06 0.01259453e+02 0.02783903e+02-0.01774288e-01 0.03696761e-04 3 -0.03066693e-07 0.08637622e-11 0.06998511e+06 0.02726281e+02 4 c2 121286c 2 g 0300.00 5000.00 1000.00 1 0.04135979e+02 0.06531618e-03 0.01837099e-05-0.05295085e-09 0.04712137e-13 2 0.09967272e+06 0.07472923e+01 0.06996045e+02-0.07400602e-01 0.03234704e-04 3 0.04802535e-07-0.03295918e-10 0.09897487e+06-0.01386227e+03 4 c2- 121286c 2e 1 g 0300.00 5000.00 1000.00 1 0.03796891e+02 0.02530050e-02 0.09709118e-06-0.01614804e-09-0.03212893e-15 2 0.05207981e+06 0.01658147e+02 0.03468012e+02-0.02352875e-02 0.01243912e-04 3 0.04705961e-08-0.08164274e-11 0.05231215e+06 0.03886699e+02 4 c2cl3 40992c 2cl 3 g 0300.00 4000.00 1500.00 1 0.01183853e+03 0.09460851e-02-0.02920870e-05 0.03847024e-09-0.01539560e-13 2 0.02313143e+06-0.02891445e+03 0.04808647e+02 0.02212948e+00-0.02548847e-03 3 0.01372083e-06-0.02812663e-10 0.02514353e+06 0.07232629e+02 4 c2cl5 40992c 2cl 5 g 0300.00 4000.00 1500.00 1 0.01775107e+03 0.09220800e-02-0.04852694e-05 0.01190373e-08-0.01100446e-12 2 -0.02402768e+05-0.05545676e+03 0.06414346e+02 0.03867367e+00-0.04857935e-03 3 0.02734513e-06-0.05732891e-10 0.04697039e+04 0.01542036e+02 4 c2cl6 40992c 2cl 6 g 0300.00 4000.00 1500.00 1 0.02021422e+03 0.01757648e-01-0.05881040e-05 0.08029739e-09-0.03958238e-13 2 -0.02340156e+06-0.07096011e+03 0.07492710e+02 0.04318468e+00-0.05275048e-03 3 0.02947143e-06-0.06176554e-10-0.02006555e+06-0.06635582e+02 4 c2f6 82489c 2f 6 g 0300.00 5000.00 1000.00 1 0.01602057e+03 0.06273007e-01-0.02797778e-04 0.05517547e-08-0.04004651e-12 2 -0.01675654e+07-0.05519459e+03 0.03577448e+02 0.03913670e+00-0.02714862e-03 3 0.04348459e-08 0.04007135e-10-0.01642174e+07 0.09098384e+02 4 c2h 81193c 2h 1 g 0300.00 4000.00 1000.00 1 0.03986367e+02 0.03143123e-01-0.01267243e-04 0.02924363e-08-0.02716320e-12 2 0.06655884e+06 0.01191063e+02 0.02737704e+02 0.08048446e-01-0.09244310e-04 3 0.06525259e-07-0.01939580e-10 0.06683813e+06 0.07300220e+02 4 c2h2 121386c 2h 2 g 0300.00 5000.00 1000.00 1 0.04436770e+02 0.05376039e-01-0.01912817e-04 0.03286379e-08-0.02156710e-12 2 0.02566766e+06-0.02800338e+02 0.02013562e+02 0.01519045e+00-0.01616319e-03 3 0.09078992e-07-0.01912746e-10 0.02612444e+06 0.08805378e+02 4 c2h3 mar94c 2h 3 g 0300.00 5000.00 1671.00 1 3.96047713e+00 7.99426013e-03-2.85608087e-06 4.58350813e-10-2.72570140e-14 2 3.35153544e+04 2.25663414e+00 2.73925942e+00 7.03011591e-03 2.36647299e-06 3 -3.59569737e-09 8.91756491e-13 3.42868979e+04 1.01531535e+01 4 c2h4 121286c 2h 4 g 0300.00 5000.00 1000.00 1 0.03528419e+02 0.01148518e+00-0.04418385e-04 0.07844601e-08-0.05266848e-12 2 0.04428289e+05 0.02230389e+02-0.08614880e+01 0.02796163e+00-0.03388677e-03 3 0.02785152e-06-0.09737879e-10 0.05573046e+05 0.02421149e+03 4 c2h5 jpc93 c 2h 5 0 0g 300.000 5000.000 1375.000 1 5.60116091e+00 1.06977081e-02-3.63504780e-06 5.61816654e-10-3.24914714e-14 2 1.14539845e+04-7.02252408e+00 1.47374852e+00 1.63606611e-02-4.32896826e-06 3 -1.17270665e-09 5.72325883e-13 1.33326992e+04 1.66349852e+01 4 c2h6 121686c 2h 6 g 0300.00 4000.00 1000.00 1 0.04825938e+02 0.01384043e+00-0.04557259e-04 0.06724967e-08-0.03598161e-12 2 -0.01271779e+06-0.05239507e+02 0.01462539e+02 0.01549467e+00 0.05780507e-04 3 -0.01257832e-06 0.04586267e-10-0.01123918e+06 0.01443229e+03 4 c2hcl 112989c 2h 1cl 1 g 0300.00 5000.00 1000.00 1 0.06295372e+02 0.03883113e-01-0.01506049e-04 0.02700003e-08-0.01830213e-12 2 0.02357279e+06-0.08137063e+02 0.03618443e+02 0.01331979e+00-0.01321822e-03 3 0.06092024e-07-0.08879026e-11 0.02415385e+06 0.05050645e+02 4 c2hcl5 40992h 1c 2cl 5 g 0300.00 4000.00 1500.00 1 0.01897802e+03 0.02244275e-01-0.05864788e-05 0.02733950e-09 0.04934135e-13 2 -0.02494887e+06-0.06578714e+03 0.05356044e+02 0.04176390e+00-0.04710787e-03 3 0.02550758e-06-0.05324478e-10-0.02079330e+06 0.04970258e+02 4 c2n 121286c 2n 1 g 0300.00 5000.00 1000.00 1 0.06151561e+02 0.01511650e-01-0.06629362e-05 0.01286148e-08-0.09160830e-13 2 0.06484318e+06-0.08177850e+02 0.03498544e+02 0.08554433e-01-0.06288697e-04 3 0.08638478e-08 0.04915996e-11 0.06556611e+06 0.05548374e+02 4 c2n2 121286c 2n 2 g 0300.00 5000.00 1000.00 1 0.06548003e+02 0.03984707e-01-0.01634216e-04 0.03038597e-08-0.02111069e-12 2 0.03490716e+06-0.09735790e+02 0.04265459e+02 0.01192257e+00-0.01342014e-03 3 0.09192297e-07-0.02778942e-10 0.03547888e+06 0.01713212e+02 4 c2o 121286c 2o 1 g 0300.00 5000.00 1000.00 1 0.04849809e+02 0.02947585e-01-0.01090729e-04 0.01792562e-08-0.01115758e-12 2 0.03282055e+06-0.06453226e+01 0.03368851e+02 0.08241803e-01-0.08765145e-04 3 0.05569262e-07-0.01540009e-10 0.03317081e+06 0.06713314e+02 4 c3 121286c 3 g 0300.00 5000.00 1000.00 1 0.03803710e+02 0.02253567e-01-0.07704535e-05 0.01316294e-08-0.08694264e-13 2 0.09736135e+06 0.06128063e+02 0.04345528e+02 0.01264466e-01-0.04652557e-04 3 0.08695856e-07-0.04243536e-10 0.09731403e+06 0.03519437e+02 4 c3h2 102193h 2c 3 g 0150.00 4000.00 1000.00 1 0.07670981e+02 0.02748749e-01-0.04370943e-05-0.06455599e-09 0.01663887e-12 2 0.06259722e+06-0.01236890e+03 0.03166714e+02 0.02482572e+00-0.04591637e-03 3 0.04268019e-06-0.01482152e-09 0.06350421e+06 0.08869446e+02 4 c3h2(s) 101993h 2c 3 g 0300.00 4000.00 1400.00 1 0.08351312e+02 0.02672278e-01-0.02129404e-05-0.01478218e-08 0.02583689e-12 2 0.06800690e+06-0.01950884e+03 0.04749475e+02 0.08520229e-01-0.01160268e-04 3 -0.02494954e-07 0.09921004e-11 0.06939979e+06 0.05437792e+01 4 ac3h4 101993h 4c 3 g 0300.00 4000.00 1400.00 1 0.09776256e+02 0.05302138e-01-0.03701118e-05-0.03026386e-08 0.05089581e-12 2 0.01954972e+06-0.03077061e+03 0.02539831e+02 0.01633437e+00-0.01764950e-04 3 -0.04647365e-07 0.01729131e-10 0.02251243e+06 0.09935702e+02 4 c3h4c 101993h 4c 3 g 0300.00 4000.00 1400.00 1 0.09708652e+02 0.05344939e-01-0.03953553e-05-0.03111764e-08 0.05369406e-12 2 0.02967722e+06-0.03073273e+03 0.01056162e+02 0.01905236e+00-0.02317048e-04 3 -0.05933690e-07 0.02307128e-10 0.03309110e+06 0.01761927e+03 4 pc3h4 101993h 4c 3 g 0300.00 4000.00 1400.00 1 0.09768102e+02 0.05219151e-01-0.03753140e-05-0.02992191e-08 0.05107878e-12 2 0.01860277e+06-0.03020678e+03 0.03029730e+02 0.01498961e+00-0.01398500e-04 3 -0.03969619e-07 0.01388217e-10 0.02148408e+06 0.08004594e+02 4 c3h6 120186c 3h 6 g 0300.00 5000.00 1000.00 1 0.06732257e+02 0.01490834e+00-0.04949899e-04 0.07212022e-08-0.03766204e-12 2 -0.09235703e+04-0.01331335e+03 0.01493307e+02 0.02092518e+00 0.04486794e-04 3 -0.01668912e-06 0.07158146e-10 0.01074826e+05 0.01614534e+03 4 c3h8 120186c 3h 8 g 0300.00 5000.00 1000.00 1 0.07525217e+02 0.01889034e+00-0.06283924e-04 0.09179373e-08-0.04812410e-12 2 -0.01646455e+06-0.01784390e+03 0.08969208e+01 0.02668986e+00 0.05431425e-04 3 -0.02126001e-06 0.09243330e-10-0.01395492e+06 0.01935533e+03 4 c3o2 121286c 3o 2 g 0300.00 5000.00 1000.00 1 0.08098897e+02 0.05560040e-01-0.02312265e-04 0.04340709e-08-0.03036387e-12 2 -0.01421435e+06-0.01521974e+03 0.04018127e+02 0.01836661e+00-0.01907148e-03 3 0.01185587e-06-0.03418748e-10-0.01312824e+06 0.05582084e+02 4 c4 121286c 4 g 0300.00 5000.00 1000.00 1 0.06500180e+02 0.04228632e-01-0.01790718e-04 0.03404813e-08-0.02403978e-12 2 0.01143401e+07-0.01148889e+03 0.02343028e+02 0.01642981e+00-0.01527986e-03 3 0.07343826e-07-0.01582274e-10 0.01154538e+07 0.09826204e+02 4 c4h 121686c 4h 1 g 0300.00 5000.00 1000.00 1 0.06242882e+02 0.06193683e-01-0.02085932e-04 0.03082203e-08-0.01636483e-12 2 0.07568019e+06-0.07210806e+02 0.05023247e+02 0.07092375e-01-0.06073762e-07 3 -0.02275752e-07 0.08086994e-11 0.07623813e+06-0.06942594e+00 4 c4h10 62090c 4h 10 g 0300.00 4000.00 1500.00 1 0.01998785e+03 0.01037281e+00-0.09610818e-05-0.04623018e-08 0.08202828e-12 2 -0.02625571e+06-0.08837907e+03-0.02256618e+02 0.05881732e+00-0.04525783e-03 3 0.02037115e-06-0.04079458e-10-0.01760233e+06 0.03329595e+03 4 c4h2 121686c 4h 2 g 0300.00 5000.00 1000.00 1 0.09031407e+02 0.06047253e-01-0.01948789e-04 0.02754863e-08-0.01385608e-12 2 0.05294736e+06-0.02385068e+03 0.04005192e+02 0.01981000e+00-0.09865877e-04 3 -0.06635158e-07 0.06077413e-10 0.05424065e+06 0.01845737e+02 4 c4h6 120186c 4h 6 g 0300.00 5000.00 1000.00 1 0.08046583e+02 0.01648525e+00-0.05522227e-04 0.08123593e-08-0.04295078e-12 2 0.01370130e+06-0.01800458e+03 0.03197108e+02 0.02025592e+00 0.06510192e-04 3 -0.01658442e-06 0.06400282e-10 0.01571520e+06 0.09895660e+02 4 c4h8 120386c 4h 8 g 0300.00 5000.00 1000.00 1 0.02053584e+02 0.03435051e+00-0.01588320e-03 0.03308966e-07-0.02536104e-11 2 -0.02139723e+05 0.01554320e+03 0.01181138e+02 0.03085338e+00 0.05086525e-04 3 -0.02465489e-06 0.01111019e-09-0.01790400e+05 0.02106247e+03 4 c5 121286c 5 g 0300.00 5000.00 1000.00 1 0.08078081e+02 0.05743464e-01-0.02436405e-04 0.04638916e-08-0.03278910e-12 2 0.01147022e+07-0.01953024e+03 0.02115274e+02 0.02326332e+00-0.02109499e-03 3 0.09072734e-07-0.01540093e-10 0.01162738e+07 0.01097603e+03 4 c5h 20387c 5h 1 g 0300.00 5000.00 1000.00 1 0.08695749e+02 0.06054301e-01-0.02016011e-04 0.02892893e-08-0.01470100e-12 2 0.09031069e+06-0.02101595e+03 0.01634825e+02 0.02509538e+00-0.01206636e-03 3 -0.01046511e-06 0.08809988e-10 0.09212488e+06 0.01512194e+03 4 nc5h12 20387c 5h 12 g 0300.00 4000.00 1000.00 1 0.01667798e+03 0.02114483e+00-0.03533321e-04-0.05742202e-08 0.01515948e-11 2 -0.02553670e+06-0.06372940e+03 0.01877908e+02 0.04121646e+00 0.01253234e-03 3 -0.03701537e-06 0.01525569e-09-0.02003816e+06 0.01877257e+03 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 c-c5h5 mar96c 5h 5 g 0300.00 4000.00 1403.00 1 1.29044479e 01 1.26989021e-02-4.35726839e-06 6.78034680e-10-3.94047039e-14 2 2.59665811e 04-4.89414326e 01-4.48313342e 00 6.14978772e-02-5.77725922e-05 3 2.73308264e-08-5.08259162e-12 3.11707706e 04 4.15116727e 01 4 c-c5h6 20387c 5h 6 g 0300.00 5000.00 1000.00 1 0.09689815e+02 0.01838262e+00-0.06264884e-04 0.09393377e-08-0.05087708e-12 2 0.01102124e+06-0.03122908e+03-0.03196739e+02 0.04081361e+00 0.06816505e-05 3 -0.03137459e-06 0.01577223e-09 0.01529068e+06 0.03869939e+03 4 c6h 121686c 6h 1 g 0300.00 5000.00 1000.00 1 0.01158735e+03 0.07295363e-01-0.02466008e-04 0.03407046e-08-0.01498185e-12 2 0.01031448e+07-0.03172578e+03 0.04769848e+02 0.02457279e+00-0.07561252e-04 3 -0.01480691e-06 0.09768054e-10 0.01048523e+07 0.03241530e+02 4 c6h14 20387c 6h 14 g 0300.00 4000.00 1000.00 1 0.02280472e+03 0.02097989e+00-0.03530674e-04-0.05466245e-08 0.01478950e-11 2 -0.03073757e+06-0.09583162e+03 0.01836174e+02 0.05098461e+00 0.01259586e-03 3 -0.04428362e-06 0.01872237e-09-0.02292750e+06 0.02088145e+03 4 c6h2 121686c 6h 2 g 0300.00 5000.00 1000.00 1 0.01275652e+03 0.08034381e-01-0.02618215e-04 0.03725060e-08-0.01878851e-12 2 0.08075469e+06-0.04041263e+03 0.05751085e+02 0.02636720e+00-0.01166760e-03 3 -0.01071450e-06 0.08790297e-10 0.08262013e+06-0.04335532e+02 4 c6h3 20387c 6h 3 g 0300.00 5000.00 1000.00 1 0.01276118e+03 0.01038557e+00-0.03479193e-04 0.05109733e-08-0.02690965e-12 2 0.07477706e+06-0.03891745e+03 0.05007090e+02 0.02692852e+00-0.05919866e-04 3 -0.01527233e-06 0.09408310e-10 0.07713200e+06 0.02225621e+02 4 c6h4 mar96c 6h 4 0g 300.00 5000.00 1394.00 1 1.23472984e 01 1.35855995e-02-5.46730475e-06 9.84917991e-10-6.32706601e-14 2 4.77561443e 04-4.33617477e 01-3.23735221e 00 5.57844759e-02-4.97810630e-05 3 2.22154001e-08-3.93993991e-12 5.25322589e 04 3.81904081e 01 4 c6h5(l) 82489c 6h 5 g 0300.00 4000.00 1000.00 1 0.01721540e+03 0.08621068e-01-0.08221340e-05-0.04752164e-08 0.08844086e-12 2 0.06385819e+06-0.06139128e+03 0.04854269e+02 0.03031659e+00 0.01742893e-05 3 -0.01811010e-06 0.07392511e-10 0.06798734e+06 0.05854935e+02 4 c6h5o 82489c 6h 5o 1 g 0300.00 4000.00 1000.00 1 0.01822639e+03 0.01003985e+00-0.09915668e-05-0.05672804e-08 0.01068372e-11 2 -0.02620846e+05-0.07361391e+03 0.01107497e+02 0.03956946e+00 0.08497295e-05 3 -0.02436311e-06 0.09650660e-10 0.03159672e+05 0.01973496e+03 4 c6h5oh 82489c 6h 6o 1 g 0300.00 4000.00 1000.00 1 0.01821633e+03 0.01142427e+00-0.01096684e-04-0.06427442e-08 0.01198893e-11 2 -0.02053664e+06-0.07304234e+03 0.01391456e+02 0.03931958e+00 0.01777096e-04 3 -0.02277673e-06 0.08309659e-10-0.01472181e+06 0.01917813e+03 4 c6h6 20387c 6h 6 g 0300.00 5000.00 1000.00 1 0.01291074e+03 0.01723297e+00-0.05024211e-04 0.05893497e-08-0.01947521e-12 2 0.03664512e+05-0.05002699e+03-0.03138012e+02 0.04723103e+00-0.02962208e-04 3 -0.03262819e-06 0.01718692e-09 0.08890031e+05 0.03657573e+03 4 c6h7 82489c 6h 7 g 0300.00 4000.00 1000.00 1 0.01755221e+03 0.01227080e+00-0.01185742e-04-0.06959661e-08 0.01301326e-11 2 0.01624581e+06-0.07166589e+03 0.04639166e+01 0.03975928e+00 0.02529095e-04 3 -0.02223792e-06 0.07557053e-10 0.02225169e+06 0.02235387e+03 4 c8h 121686c 8h 1 g 0300.00 5000.00 1000.00 1 0.01474991e+03 0.09931501e-01-0.03374841e-04 0.04687593e-08-0.02073536e-12 2 0.01399448e+07-0.04892690e+03 0.04489508e+02 0.03521521e+00-0.01019390e-03 3 -0.02197025e-06 0.01421416e-09 0.01425992e+07 0.03996225e+02 4 c8h2 121686c 8h 2 g 0300.00 5000.00 1000.00 1 0.01568021e+03 0.01115461e+00-0.03724373e-04 0.05197891e-08-0.02375550e-12 2 0.01081123e+07-0.05571437e+03 0.04630427e+02 0.03937080e+00-0.01148035e-03 3 -0.02562214e-06 0.01670791e-09 0.01108285e+07 0.08077425e+01 4 ca 80792ca 1 g 0300.00 5000.00 1000.00 1 0.01636990e+02 0.01938281e-01-0.01464011e-04 0.04278257e-08-0.03581686e-12 2 0.02109799e+06 0.08990615e+02 0.01563120e+02 0.06228361e-01-0.01415732e-03 3 0.01323968e-06-0.04370569e-10 0.02092191e+06 0.08370537e+02 4 ca(a) 81092ca 1 s 0300.00 1500.00 1000.00 1 0.03344424e+02-0.06129555e-04-0.02048549e-05 0.02199575e-08-0.06498067e-12 2 -0.01020624e+05-0.01410880e+03 0.02492826e+02 0.03921280e-01-0.07242436e-04 3 0.05919276e-07-0.01802531e-10-0.08641901e+04-0.01010018e+03 4 ca(b) 81092ca 1 s 0300.00 2000.00 1000.00 1 0.02149662e+02 0.02293734e-01 0.03948384e-05-0.01813978e-08 0.03060995e-12 2 -0.06970589e+04-0.07862350e+02 0.02013343e+02 0.02718935e-01-0.01374494e-05 3 0.01528553e-08-0.06023681e-12-0.06613041e+04-0.07168449e+02 4 ca(l) 81092ca 1 l 0300.00 3000.00 1000.00 1 0.03623553e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.02310016e+04-0.01455354e+03 0.03623553e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.02310016e+04-0.01455354e+03 4 ca+ 80792ca 1e -1 g 0300.00 5000.00 1000.00 1 0.02415423e+02 0.03140053e-02-0.03458031e-05 0.01350163e-08-0.01342160e-12 2 0.09252434e+06 0.05468189e+02 0.02276338e+02 0.01581988e-01-0.03878953e-04 3 0.03953701e-07-0.01427856e-10 0.09253536e+06 0.06008258e+02 4 ca2 80792ca 2 g 0300.00 5000.00 1000.00 1 0.04174798e+02-0.07401838e-02 0.03131196e-05-0.05885577e-09 0.04296578e-13 2 0.04052221e+06 0.07582380e+02 0.05604867e+02-0.04044408e-01 0.02454638e-04 3 -0.01495064e-08-0.01724184e-11 0.04008842e+06 0.01167234e+00 4 cabr 80792br 1ca 1 g 0300.00 5000.00 1000.00 1 0.04312008e+02 0.04246804e-02-0.02536360e-05 0.07082421e-09-0.05508239e-13 2 -0.07242509e+05 0.05721414e+02 0.04004020e+02 0.01927770e-01-0.02749388e-04 3 0.01785012e-07-0.04190442e-11-0.07199987e+05 0.07125700e+02 4 cabr2 80792br 2ca 1 g 0300.00 5000.00 1000.00 1 0.07388434e+02 0.01393017e-02-0.06561619e-06 0.01342748e-09-0.09993272e-14 2 -0.04852787e+06-0.04337760e+02 0.06902053e+02 0.01599316e-01-0.01154723e-04 3 -0.02428795e-08 0.03707822e-11-0.04841873e+06-0.01900929e+02 4 cabr2(s) 81292br 2ca 1 s 0300.00 1500.00 1000.00 1 0.01076200e+03-0.02979247e-01 0.06950511e-05 0.03569778e-07-0.01382224e-10 2 -0.08542235e+06-0.04524895e+03 0.05478536e+02 0.02209325e+00-0.04544460e-03 3 0.04176543e-06-0.01322726e-09-0.08447516e+06-0.02052538e+03 4 cacl 80792ca 1cl 1 g 0300.00 5000.00 1000.00 1 0.04272197e+02 0.04612770e-02-0.02684554e-05 0.07233022e-09-0.05565813e-13 2 -0.01387933e+06 0.04556153e+02 0.03810549e+02 0.02372144e-01-0.02939380e-04 3 0.01528166e-07-0.02396962e-11-0.01379994e+06 0.06742955e+02 4 cacl2 80792ca 1cl 2 g 0300.00 5000.00 1000.00 1 0.07322969e+02 0.02201546e-02-0.01035664e-05 0.02117574e-09-0.01575201e-13 2 -0.05893953e+06-0.06959426e+02 0.06595983e+02 0.02364235e-01-0.01611807e-04 3 -0.04866457e-08 0.05973912e-11-0.05877467e+06-0.03308009e+02 4 cacl2(s) 81092ca 1cl 2 s 0300.00 2000.00 1000.00 1 0.06749013e+02 0.03694542e-01-0.02199980e-05 0.01165549e-08-0.02193898e-12 2 -0.09759255e+06-0.02629777e+03 0.05722155e+02 0.01836100e+00-0.03597296e-03 3 0.03173054e-06-0.09522563e-10-0.09798464e+06-0.02415730e+03 4 caf 80792ca 1f 1 g 0300.00 5000.00 1000.00 1 0.04150489e+02 0.05746086e-02-0.03081448e-05 0.07585468e-09-0.05641270e-13 2 -0.03400290e+06 0.03725193e+02 0.03309446e+02 0.03419155e-01-0.03357208e-04 3 0.01004510e-07 0.01112627e-11-0.03382332e+06 0.07876121e+02 4 caf2 80792ca 1f 2 g 0300.00 5000.00 1000.00 1 0.06575083e+02 0.05172194e-02-0.02403804e-05 0.04876347e-09-0.03608526e-13 2 -0.09641588e+06-0.04868362e+02 0.05023320e+02 0.04921285e-01-0.03129418e-04 3 -0.01178313e-07 0.01260201e-10-0.09604913e+06 0.02984363e+02 4 cah2o2 81292ca 1h 2o 2 g 0300.00 5000.00 1000.00 1 0.08627170e+02 0.03353668e-01-0.01123553e-04 0.01801642e-08-0.01122696e-12 2 -0.07617877e+06-0.01582838e+03 0.05634984e+02 0.01431225e+00-0.01160774e-03 3 0.02415328e-08 0.02445194e-10-0.07567777e+06-0.01510141e+02 4 cah2o2(s) 81292ca 1h 2o 2 s 0300.00 1000.00 1000.00 1 0.01418556e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01237066e+07-0.07268995e+03-0.07906910e+01 0.06795647e+00-0.01329918e-02 3 0.01211862e-05-0.04117456e-09-0.01204396e+07-0.07999789e+01 4 cai 80792ca 1i 1 g 0300.00 5000.00 1000.00 1 0.04316128e+02 0.04138589e-02-0.02776385e-05 0.08074141e-09-0.06592826e-13 2 -0.01903879e+05 0.06725163e+02 0.04078205e+02 0.01812968e-01-0.02972846e-04 3 0.02225520e-07-0.06173497e-11-0.01881151e+05 0.07754936e+02 4 cai2 80792ca 1i 2 g 0300.00 5000.00 1000.00 1 0.07403366e+02 0.01208762e-02-0.05698306e-06 0.01167152e-09-0.08696049e-14 2 -0.03328039e+06-0.02870204e+02 0.06975307e+02 0.01413683e-01-0.01046359e-04 3 -0.01757655e-08 0.03111958e-11-0.03318450e+06-0.07269292e+01 4 cao 80792ca 1o 1 g 0300.00 5000.00 1000.00 1 0.08665723e+02-0.09857255e-01 0.07277137e-04-0.01813874e-07 0.01477538e-11 2 0.02566423e+05-0.02151985e+03 0.07277069e+02-0.02477194e+00 0.06313166e-03 3 -0.06322423e-06 0.02200693e-09 0.03774998e+05-0.09934620e+02 4 cao(s) 81092ca 1o 1 s 0300.00 3600.00 1000.00 1 0.05184497e+02 0.01938337e-01-0.08932525e-05 0.02410689e-08-0.02389613e-12 2 -0.07806390e+06-0.02562669e+03 0.02964466e+02 0.09464719e-01-0.07948131e-04 3 0.06517958e-08 0.01313902e-10-0.07762567e+06-0.01476156e+03 4 caoh 80792ca 1h 1o 1 g 0300.00 5000.00 1000.00 1 0.05164977e+02 0.01974644e-01-0.07757403e-05 0.01507385e-08-0.01048831e-12 2 -0.02493597e+06-0.01690344e+02 0.03596803e+02 0.08182874e-01-0.07863515e-04 3 0.01974293e-07 0.06136755e-11-0.02469004e+06 0.05713983e+02 4 caoh+ 80792ca 1h 1o 1e -1g 0300.00 5000.00 1000.00 1 0.05293390e+02 0.01697953e-01-0.05704847e-05 0.09169199e-09-0.05724155e-13 2 0.04274157e+06-0.03041255e+02 0.03766022e+02 0.07251869e-01-0.05903957e-04 3 0.02063514e-08 0.01186538e-10 0.04300269e+06 0.04285959e+02 4 cas 80792ca 1s 1 g 0300.00 5000.00 1000.00 1 0.04077726e+02-0.02148896e-01 0.03595164e-04-0.01167272e-07 0.01101218e-11 2 0.01401038e+06 0.05797750e+02 0.05045918e+02-0.09248234e-01 0.03176027e-03 3 -0.04007223e-06 0.01698112e-09 0.01355553e+06 0.08770679e+01 4 ccl 40992c 1cl 1 g 0300.00 4000.00 1500.00 1 0.04306010e+02 0.01816861e-02-0.07184326e-06 0.01354479e-09-0.01002479e-13 2 0.05198808e+06 0.01558593e+02 0.02871441e+02 0.04709268e-01-0.05629052e-04 3 0.03086609e-07-0.06379756e-11 0.05237631e+06 0.08859373e+02 4 ccl2 40992c 1cl 2 g 0300.00 4000.00 1500.00 1 0.06632435e+02 0.03558831e-02-0.01507592e-05 0.03116243e-09-0.02546496e-13 2 0.02443636e+06-0.06590137e+02 0.03329579e+02 0.01112853e+00-0.01375891e-03 3 0.07726329e-07-0.01624070e-10 0.02530408e+06 0.01010975e+03 4 ccl2cclo 40992c 2 o 1cl 3 g 0300.00 4000.00 1500.00 1 0.01497380e+03 0.09004180e-02-0.03714287e-05 0.05602716e-09-0.02392170e-13 2 -0.01781718e+06-0.04510704e+03 0.05066114e+02 0.02846673e+00-0.03113001e-03 3 0.01605483e-06-0.03208502e-10-0.01474354e+06 0.06663101e+02 4 ccl2ccloh 53090c 2h 1o 1cl 3g 0300.00 5000.00 1500.00 1 0.01567259e+03 0.02218766e-01-0.04425239e-05 0.06261725e-10 0.03673507e-13 2 -0.02855361e+06-0.05085224e+03 0.04602117e+02 0.03408842e+00-0.03836909e-03 3 0.02120271e-06-0.04527143e-10-0.02507945e+06 0.06859776e+02 4 ccl2ch 40992h 1c 2cl 2 g 0300.00 4000.00 1500.00 1 0.01101223e+03 0.01364477e-01-0.03497001e-05 0.01107466e-09 0.03844298e-13 2 0.02706218e+06-0.02886258e+03 0.02961736e+02 0.02429423e+00-0.02731403e-03 3 0.01493184e-06-0.03162966e-10 0.02960233e+06 0.01317486e+03 4 ccl2hoo 53090c 1h 1o 2cl 2g 0300.00 5000.00 1500.00 1 0.01273967e+03 0.01671789e-01-0.03280073e-05 0.09239024e-10 0.02183938e-13 2 -0.05665041e+05-0.03552584e+03 0.03425417e+02 0.02745544e+00-0.02973832e-03 3 0.01588391e-06-0.03309428e-10-0.02675529e+05 0.01333474e+03 4 ccl2ohch2 53090c 2h 3o 1cl 2g 0300.00 5000.00 1500.00 1 0.01606355e+03 0.02856412e-01-0.05564238e-05 0.02056416e-09 0.02871365e-13 2 -0.01756115e+06-0.05438455e+03 0.02870959e+02 0.04462273e+00-0.05377946e-03 3 0.03093185e-06-0.06719238e-10-0.01379636e+06 0.01305466e+03 4 ccl2ohchcl 53090c 2h 2o 1cl 3g 0300.00 5000.00 1500.00 1 0.01681474e+03 0.02433421e-01-0.04717311e-05 0.01595327e-09 0.02647197e-13 2 -0.02217115e+06-0.05406904e+03 0.05487264e+02 0.03719540e+00-0.04391386e-03 3 0.02501465e-06-0.05417859e-10-0.01882134e+06 0.04237537e+02 4 ccl3 40992c 1cl 3 g 0300.00 4000.00 1500.00 1 0.09375859e+02 0.05723237e-02-0.02242398e-05 0.04238666e-09-0.03174834e-13 2 0.05113147e+05-0.01813304e+03 0.04292822e+02 0.01682379e+00-0.02044420e-03 3 0.01135805e-06-0.02371493e-10 0.06477756e+05 0.07677874e+02 4 ccl3cclh2 53090c 2h 2cl 4 g 0300.00 5000.00 1500.00 1 0.01788619e+03 0.02281235e-01-0.04746598e-05 0.01962667e-09 0.02451768e-13 2 -0.02496335e+06-0.06312883e+03 0.03463508e+02 0.04144805e+00-0.04421053e-03 3 0.02320525e-06-0.04772525e-10-0.02028144e+06 0.01275956e+03 4 ccl3cclo 40992c 2 o 1cl 4 g 0300.00 4000.00 1500.00 1 0.01687401e+03 0.01341876e-01-0.04555006e-05 0.07178333e-09-0.04348641e-13 2 -0.03442278e+06-0.05295025e+03 0.06334167e+02 0.03461171e+00-0.04173791e-03 3 0.02324686e-06-0.04882451e-10-0.03152121e+06 0.07697654e+01 4 ccl3ch2 53090c 2h 2cl 3 g 0300.00 5000.00 1500.00 1 0.01468243e+03 0.02202649e-01-0.03960690e-05 0.02319280e-10 0.03655521e-13 2 0.03875531e+05-0.04495230e+03 0.05008132e+02 0.03031103e+00-0.03453620e-03 3 0.01951049e-06-0.04245840e-10 0.06936588e+05 0.05474640e+02 4 ccl3chcl 53090c 2h 1cl 4 g 0300.00 5000.00 1500.00 1 0.01610198e+03 0.01597223e-01-0.04069892e-05 0.04158083e-09-0.01105635e-13 2 -0.02318814e+04-0.04936573e+03 0.05761929e+02 0.03433482e+00-0.04163980e-03 3 0.02362341e-06-0.05054182e-10 0.02663920e+05 0.03399588e+02 4 ccl3cho 53090c 2h 1o 1cl 3g 0300.00 5000.00 1500.00 1 0.01532135e+03 0.01914228e-01-0.03622777e-05 0.05526564e-10 0.03016202e-13 2 -0.02886499e+06-0.04774516e+03 0.05016867e+02 0.02961902e+00-0.03140321e-03 3 0.01666643e-06-0.03481662e-10-0.02544921e+06 0.06644422e+02 4 ccl3oo 53090c 1o 2cl 3 g 0300.00 5000.00 1500.00 1 0.01473249e+03 0.08345102e-02-0.03627944e-05 0.07101159e-09-0.05165897e-13 2 -0.05526644e+05-0.04381961e+03 0.04317420e+02 0.03486414e+00-0.04287094e-03 3 0.02371950e-06-0.04903871e-10-0.02855912e+05 0.08720693e+02 4 ccl4 40992c 1cl 4 g 0300.00 4000.00 1500.00 1 0.01222570e+03 0.07440275e-02-0.03141658e-05 0.06499383e-09-0.05330319e-13 2 -0.01439931e+06-0.03133566e+03 0.05107111e+02 0.02402469e+00-0.02980593e-03 3 0.01678331e-06-0.03535253e-10-0.01253198e+06 0.04640845e+02 4 cclh2oo 53090c 1h 2o 2cl 1g 0300.00 5000.00 1500.00 1 0.01131351e+03 0.02330645e-01-0.03546376e-05-0.02064087e-09 0.06154082e-13 2 -0.04225590e+05-0.03183829e+03 0.01583541e+02 0.02745395e+00-0.02803155e-03 3 0.01491598e-06-0.03172720e-10-0.08340802e+04 0.01999023e+03 4 ch 121286c 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 0.07086723e+06 0.09178373e+02 0.03200202e+02 0.02072876e-01-0.05134431e-04 3 0.05733890e-07-0.01955533e-10 0.07045259e+06 0.03331588e+02 4 ch+ 121286c 1h 1e -1 g 0300.00 5000.00 1000.00 1 0.02753358e+02 0.01552900e-01-0.05368453e-05 0.08921772e-09-0.05416801e-13 2 0.01948467e+07 0.04654892e+02 0.03327207e+02 0.01347051e-01-0.03895861e-04 3 0.05129390e-07-0.02054576e-10 0.01946452e+07 0.01408474e+02 4 ch2ccl 53090c 2h 2cl 1 g 300.00 5000.000 1500.00 1 0.09117805e+02 0.02336015e-01-0.03466390e-05-0.03584809e-09 0.08154328e-13 2 0.02697366e+06-0.02251742e+03 0.01553177e+02 0.02243159e+00-0.02366950e-03 3 0.01323270e-06-0.02931823e-10 0.02962339e+06 0.01769303e+03 4 ch2ccl2 53090c 2h 2cl 2 g 0300.00 5000.00 1500.00 1 0.01169451e+03 0.02435982e-01-0.03733045e-05-0.01419412e-09 0.05199337e-13 2 -0.04601975e+05-0.03547415e+03 0.01527166e+02 0.02983780e+00-0.03171097e-03 3 0.01728380e-06-0.03709638e-10-0.01173986e+05 0.01827540e+03 4 ch2ccloh 53090c 2h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.01267601e+03 0.03201392e-01-0.04788878e-05-0.02136104e-09 0.07030796e-13 2 -0.02402379e+06-0.04128498e+03 0.06647840e+01 0.03723168e+00-0.04115206e-03 3 0.02307135e-06-0.05021609e-10-0.02012318e+06 0.02165270e+03 4 ch2chcch 82489c 4h 4 g 0300.00 4000.00 1000.00 1 0.01069777e+03 0.06982014e-01-0.06567747e-05-0.03884517e-08 0.07200946e-12 2 0.03034803e+06-0.03128430e+03 0.03233893e+02 0.01865634e+00 0.01270320e-04 3 -0.09410096e-07 0.02956111e-10 0.03301097e+06 0.09922676e+02 4 ac3h5 mar97c 3h 5 g 300.00 5000.00 1378.00 1 9.75762472e 00 1.00615154e-02-3.40608453e-06 5.25696641e-10-3.03917313e-14 2 1.52845733e 04-2.86237172e 01 9.73013819e-01 2.81818597e-02-1.62938809e-05 3 3.96194325e-09-2.25704537e-13 1.85230753e 04 1.93201408e 01 4 ch2chchch 82489c 4h 5 g 0300.00 4000.00 1000.00 1 0.01286597e+03 0.07943369e-01-0.08626466e-05-0.04655635e-08 0.08951131e-12 2 0.03783552e+06-0.04182502e+03 0.02995240e+02 0.02288456e+00 0.01975471e-04 3 -0.01148245e-06 0.03197824e-10 0.04142218e+06 0.01289454e+03 4 ch2chchch2 120189c 4h 6 g 0300.00 4000.00 1000.00 1 0.01254437e+03 0.09596525e-01-0.09187012e-05-0.05429640e-08 0.01005364e-11 2 0.08597330e+05-0.04217451e+03 0.01931624e+02 0.02479030e+00 0.03018071e-04 3 -0.01154686e-06 0.02586623e-10 0.01255468e+06 0.01701999e+03 4 ch2chcl 53090c 2h 3cl 1 g 0300.00 5000.00 1500.00 1 0.01029820e+03 0.03042926e-01-0.03881390e-05-0.04925565e-09 0.01005072e-12 2 -0.02492899e+05-0.03108614e+03 0.01118026e+01 0.02796358e+00-0.02726559e-03 3 0.01463257e-06-0.03204075e-10 0.01287844e+05 0.02381617e+03 4 ch2cl 53090c 1h 2cl 1 g 0300.00 5000.00 1500.00 1 0.06822515e+02 0.01659744e-01-0.02075515e-05-0.02793518e-09 0.05509087e-13 2 0.01080454e+06-0.01090504e+03 0.02419924e+02 0.01303317e+00-0.01356559e-03 3 0.07836108e-07-0.01800535e-10 0.01243112e+06 0.01269845e+03 4 ch2cl2 112989c 1h 2cl 2 g 0300.00 5000.00 1000.00 1 0.05917327e+02 0.06762395e-01-0.02676163e-04 0.04856687e-08-0.03316974e-12 2 -0.01385926e+06-0.03877739e+02 0.01423284e+02 0.02116658e+00-0.02178088e-03 3 0.01345873e-06-0.03811649e-10-0.01268664e+06 0.01893445e+03 4 ch2clccl2 53090c 2h 2cl 3 g 0300.00 5000.00 1500.00 1 0.01438156e+03 0.02379635e-01-0.04167426e-05-0.02445116e-10 0.04499574e-13 2 -0.02746720e+05-0.04351762e+03 0.03351194e+02 0.03297633e+00-0.03604139e-03 3 0.01977453e-06-0.04233823e-10 0.08620011e+04 0.01444760e+03 4 ch2clcclo 53090c 2h 2o 1cl 2g 0300.00 5000.00 1500.00 1 0.01392027e+03 0.02589602e-01-0.04141892e-05-0.01643169e-09 0.06237174e-13 2 -0.03517257e+06-0.04389503e+03 0.02705995e+02 0.03210128e+00-0.03357727e-03 3 0.01814310e-06-0.03890009e-10-0.03130905e+06 0.01566013e+03 4 ch2clch2 53090c 2h 4cl 1 g 0300.00 5000.00 1500.00 1 0.01167011e+03 0.03554722e-01-0.04124241e-05-0.07276110e-09 0.01316756e-12 2 0.06201629e+05-0.03604549e+03 0.01635864e+02 0.02680201e+00-0.02491421e-03 3 0.01349235e-06-0.03046571e-10 0.01014294e+06 0.01864248e+03 4 ch2clch2cl 53090c 2h 4cl 2 g 0300.00 5000.00 1500.00 1 0.01443143e+03 0.03836770e-01-0.05299122e-05-0.05165412e-09 0.01177636e-12 2 -0.02296285e+06-0.05130124e+03-0.02436500e+01 0.04032574e+00-0.03956993e-03 3 0.02074245e-06-0.04412604e-10-0.01767830e+06 0.02741366e+03 4 ch2clchcl 53090c 2h 3cl 2 g 0300.00 5000.00 1500.00 1 0.01295593e+03 0.03001689e-01-0.04165162e-05-0.03909055e-09 0.09041090e-13 2 0.09932077e+04-0.03925387e+03 0.02276185e+02 0.03011401e+00-0.03047664e-03 3 0.01654880e-06-0.03613198e-10 0.04836340e+05 0.01792166e+03 4 ch2clchcl2 53090c 2h 3cl 3 g 0300.00 5000.00 1500.00 1 0.01618739e+03 0.03047681e-01-0.05011496e-05-0.01596701e-09 0.07107547e-13 2 -0.02474417e+06-0.05695454e+03 0.01239011e+02 0.04148444e+00-0.04188654e-03 3 0.02163214e-06-0.04467364e-10-0.01960717e+06 0.02257856e+03 4 ch2clcho 53090c 2h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.01227955e+03 0.03320979e-01-0.04106710e-05-0.06199826e-09 0.01190594e-12 2 -0.02678416e+06-0.03762356e+03 0.06553003e+01 0.02959046e+00-0.02635056e-03 3 0.01327545e-06-0.02838288e-10-0.02227005e+06 0.02576797e+03 4 ch2co 121686c 2h 2o 1 g 0300.00 5000.00 1000.00 1 0.06038817e+02 0.05804840e-01-0.01920954e-04 0.02794485e-08-0.01458868e-12 2 -0.08583402e+05-0.07657581e+02 0.02974971e+02 0.01211871e+00-0.02345046e-04 3 -0.06466685e-07 0.03905649e-10-0.07632637e+05 0.08673553e+02 4 ch2f2 82489c 1h 2f 2 g 0300.00 5000.00 1000.00 1 0.04730052e+02 0.07997300e-01-0.03186045e-04 0.05801160e-08-0.03967925e-12 2 -0.05637288e+06-0.04954843e+01 0.03669434e+01 0.02168917e+00-0.02441913e-03 3 0.01942310e-06-0.06978343e-10-0.05510103e+06 0.02202215e+03 4 ch2hco 110393o 1h 3c 2 g 0300.00 5000.00 1000.00 1 0.05975670e+02 0.08130591e-01-0.02743624e-04 0.04070304e-08-0.02176017e-12 2 0.04903218e+04-0.05045251e+02 0.03409062e+02 0.01073857e+00 0.01891492e-04 3 -0.07158583e-07 0.02867385e-10 0.01521477e+05 0.09558290e+02 4 ch2o 121286c 1h 2o 1 g 0300.00 5000.00 1000.00 1 0.02995606e+02 0.06681321e-01-0.02628955e-04 0.04737153e-08-0.03212517e-12 2 -0.01532037e+06 0.06912572e+02 0.01652731e+02 0.01263144e+00-0.01888168e-03 3 0.02050031e-06-0.08413237e-10-0.01486540e+06 0.01378482e+03 4 ch2oh mar97c 1h 3o 1 g 300.00 5000.00 1410.00 1 6.00127803e 00 4.98721568e-03-1.60953515e-06 2.40227135e-10-1.35582700e-14 2 -3.50157098e 03-6.92836844e 00 2.60067849e 00 1.28447854e-02-8.33796185e-06 3 2.75727606e-09-3.57041106e-13-2.33478724e 03 1.13272307e 01 4 ch2ohccl2 53090c 2h 3o 1cl 2g 0300.00 5000.00 1500.00 1 0.01602181e+03 0.02846352e-01-0.04974218e-05-0.02167450e-10 0.05246046e-13 2 -0.01829579e+06-0.05402134e+03 0.01922940e+02 0.04158207e+00-0.04427505e-03 3 0.02343015e-06-0.04851868e-10-0.01375512e+06 0.02001902e+03 4 ch2ohchcl 53090c 2h 4o 1cl 1g 0300.00 5000.00 1500.00 1 0.01446298e+03 0.03569514e-01-0.05419118e-05-0.02862176e-09 0.08920560e-13 2 -0.01475559e+06-0.04942815e+03 0.03505696e+01 0.04212749e+00-0.04493839e-03 3 0.02448187e-06-0.05236589e-10-0.01007314e+06 0.02495261e+03 4 ch2sicl 40992h 2c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.09915966e+02 0.01896319e-01-0.03304238e-05-0.03882353e-09 0.01089169e-12 2 0.01906587e+06-0.02389137e+03 0.03514077e+02 0.01959495e+00-0.02147274e-03 3 0.01214017e-06-0.02691323e-10 0.02123280e+06 0.09882836e+02 4 ch2sicl3 40992h 2c 1si 1cl 3g 0300.00 4000.00 1500.00 1 0.01476240e+03 0.02289499e-01-0.04148337e-05-0.01526182e-09 0.07724698e-13 2 -0.04947703e+06-0.04020475e+03 0.06718170e+02 0.02712662e+00-0.03168529e-03 3 0.01809641e-06-0.03938906e-10-0.04710183e+06 0.01167360e+02 4 ch2sih2cl 40992h 4c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01260561e+03 0.03468476e-01-0.04606434e-05-0.09748147e-09 0.02077681e-12 2 -0.05748538e+05-0.03743183e+03 0.02426229e+02 0.03028056e+00-0.03039200e-03 3 0.01612599e-06-0.03425629e-10-0.02268891e+05 0.01657736e+03 4 ch2sihcl2 40992h 3c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01365092e+03 0.02909029e-01-0.04521180e-05-0.05274788e-09 0.01389320e-12 2 -0.02781262e+06-0.03810353e+03 0.04180967e+02 0.03005761e+00-0.03288772e-03 3 0.01822025e-06-0.03925700e-10-0.02480330e+06 0.01134845e+03 4 ch3 121286c 1h 3 g 0300.00 5000.00 1000.00 1 0.02844052e+02 0.06137974e-01-0.02230345e-04 0.03785161e-08-0.02452159e-12 2 0.01643781e+06 0.05452697e+02 0.02430443e+02 0.01112410e+00-0.01680220e-03 3 0.01621829e-06-0.05864953e-10 0.01642378e+06 0.06789794e+02 4 ch3c(o)cl 53090c 2h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.01240568e+03 0.03210496e-01-0.03737157e-05-0.06739592e-09 0.01219122e-12 2 -0.03432420e+06-0.03909195e+03 0.02275117e+02 0.02518533e+00-0.02152420e-03 3 0.01084005e-06-0.02369191e-10-0.03024376e+06 0.01657016e+03 4 ch3cc 82489c 3h 3 g 0300.00 4000.00 1000.00 1 0.07640221e+02 0.05233556e-01-0.05053635e-05-0.02919772e-08 0.05445700e-12 2 0.05909763e+06-0.01629573e+03 0.03798751e+02 0.08749062e-01 0.02523014e-04 3 -0.01529373e-07-0.01410562e-10 0.06077425e+06 0.05989223e+02 4 ch3ccch3 120189c 4h 6 g 0300.00 4000.00 1000.00 1 0.01133658e+03 0.01005764e+00-0.09511323e-05-0.05660497e-08 0.01049451e-11 2 0.01547659e+06-0.03350867e+03 0.04077105e+02 0.01703159e+00 0.04707490e-04 3 -0.03767240e-07-0.02066963e-10 0.01859757e+06 0.08444801e+02 4 sc3h5 82489c 3h 5 g 0300.00 4000.00 1000.00 1 0.09101018e+02 0.07964168e-01-0.07884945e-05-0.04562036e-08 0.08529212e-12 2 0.02670680e+06-0.02150559e+03 0.03385811e+02 0.01404534e+00 0.03204127e-04 3 -0.03824120e-07-0.09053742e-11 0.02909066e+06 0.01126649e+03 4 ch3ccl 53090c 2h 3cl 1 g 0300.00 5000.00 1500.00 1 0.01023962e+03 0.02767116e-01-0.03228853e-05-0.05752548e-09 0.01043430e-12 2 0.02633607e+06-0.02806184e+03 0.01687397e+02 0.02164347e+00-0.01891466e-03 3 0.09699015e-07-0.02134580e-10 0.02975387e+06 0.01882236e+03 4 ch3ccl2 53090c 2h 3cl 2 g 0300.00 5000.00 1500.00 1 0.01300035e+03 0.02940485e-01-0.03746456e-05-0.05040644e-09 0.01006332e-12 2 -0.04228816e+04-0.03979863e+03 0.03213473e+02 0.02587378e+00-0.02419993e-03 3 0.01273817e-06-0.02788481e-10 0.03325663e+05 0.01333320e+03 4 ch3ccl3 53090c 2h 3cl 3 g 0300.00 5000.00 1500.00 1 0.01637160e+03 0.02935021e-01-0.04836108e-05-0.01454723e-09 0.06731691e-13 2 -0.02378095e+06-0.05941864e+03 0.02484363e+02 0.03909474e+00-0.04013637e-03 3 0.02110179e-06-0.04418213e-10-0.01902540e+06 0.01435603e+03 4 ch3cclo 53090c 2h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.01240595e+03 0.03210266e-01-0.03736397e-05-0.06740236e-09 0.01219081e-12 2 -0.03432283e+06-0.03909605e+03 0.02277402e+02 0.02517912e+00-0.02151632e-03 3 0.01083524e-06-0.02368079e-10-0.03024308e+06 0.01655556e+03 4 ch3ch2cch 120189c 4h 6 g 0300.00 4000.00 1000.00 1 0.01200695e+03 0.09576069e-01-0.08995018e-05-0.05369808e-08 0.09934174e-12 2 0.01729420e+06-0.03802692e+03 0.03726043e+02 0.02053493e+00 0.03021439e-04 3 -0.08131813e-07 0.01095280e-10 0.02048821e+06 0.08538826e+02 4 ch3ch2ch2c 62090c 4h 10 g 0300.00 4000.00 1500.00 1 0.02032597e+03 0.01025189e+00-0.09348665e-05-0.04706743e-08 0.08327283e-12 2 -0.02590868e+06-0.08998431e+03-0.02544545e+02 0.05770712e+00-0.04104933e-03 3 0.01684742e-06-0.03176653e-10-0.01682847e+06 0.03586176e+03 4 ch3ch2cl 53090c 2h 5cl 1 g 0300.00 5000.00 1500.00 1 0.01301118e+03 0.04448941e-01-0.05200473e-05-0.09119710e-09 0.01658842e-12 2 -0.02013503e+06-0.04677847e+03-0.06981899e+01 0.03567705e+00-0.03230260e-03 3 0.01689622e-06-0.03727523e-10-0.01476054e+06 0.02802219e+03 4 pc3h5 82489c 3h 5 g 0300.00 4000.00 1000.00 1 0.09209764e+02 0.07871413e-01-0.07724523e-05-0.04497357e-08 0.08377272e-12 2 0.02853967e+06-0.02232370e+03 0.03161863e+02 0.01518100e+00 0.02722659e-04 3 -0.05177112e-07 0.05435286e-12 0.03095548e+06 0.01197973e+03 4 ch3chcl 53090c 2h 4cl 1 g 0300.00 5000.00 1500.00 1 0.01166291e+03 0.03539284e-01-0.03858423e-05-0.08186871e-09 0.01407549e-12 2 0.03696642e+05-0.03616108e+03 0.01903574e+02 0.02438193e+00-0.02062779e-03 3 0.01068382e-06-0.02414461e-10 0.07722870e+05 0.01768152e+03 4 ch3chcl2 53090c 2h 4cl 2 g 0300.00 5000.00 1500.00 1 0.01454311e+03 0.03772378e-01-0.05189301e-05-0.05141063e-09 0.01163076e-12 2 -0.02277045e+06-0.05147426e+03 0.04510764e+01 0.03884901e+00-0.03832912e-03 3 0.02029502e-06-0.04357591e-10-0.01767234e+06 0.02414546e+03 4 ch3cl 112989c 1h 3cl 1 g 0300.00 5000.00 1000.00 1 0.03633876e+02 0.08664625e-01-0.03343871e-04 0.05950130e-08-0.04001401e-12 2 -0.01177659e+06 0.04430651e+02 0.04621901e+01 0.02068247e+00-0.02553133e-03 3 0.02160311e-06-0.07706816e-10-0.01093667e+06 0.02032977e+03 4 ch3co 120186c 2h 3o 1 g 0300.00 5000.00 1000.00 1 0.05612279e+02 0.08449886e-01-0.02854147e-04 0.04238376e-08-0.02268404e-12 2 -0.05187863e+05-0.03274949e+02 0.03125278e+02 0.09778220e-01 0.04521448e-04 3 -0.09009462e-07 0.03193718e-10-0.04108508e+05 0.01122885e+03 4 ch3f 82489c 1h 3f 1 g 0300.00 5000.00 1000.00 1 0.03014978e+02 0.09314397e-01-0.03611697e-04 0.06443728e-08-0.04339594e-12 2 -0.02977838e+06 0.06323815e+02 0.02600911e+01 0.02000788e+00-0.02662585e-03 3 0.02561177e-06-0.09935237e-10-0.02896233e+06 0.02031799e+03 4 ch3hco 120186c 2o 1h 4 g 0300.00 5000.00 1000.00 1 0.05868650e+02 0.01079424e+00-0.03645530e-04 0.05412912e-08-0.02896844e-12 2 -0.02264569e+06-0.06012946e+02 0.02505695e+02 0.01336991e+00 0.04671953e-04 3 -0.01128140e-06 0.04263566e-10-0.02124589e+06 0.01335089e+03 4 ch3no 103190c 1h 3n 1o 1g 0300.00 4000.00 1500.00 1 0.08820547e+02 0.03706233e-01-0.02894741e-05-0.01897910e-08 0.03237544e-12 2 0.05362862e+05-0.02213220e+03 0.02109955e+02 0.01517822e+00-0.07071789e-04 3 0.01510611e-07-0.01604204e-11 0.08293612e+05 0.01569702e+03 4 ch3no2 mar98c 1h 3n 1o 2g 300.00 5000.00 1390.00 1 7.50632429e 00 9.52121946e-03-3.27760562e-06 5.08678596e-10-2.94455378e-14 2 -1.21622632e 04-1.15251806e 01-3.70775080e-01 2.83702793e-02-2.08339624e-05 3 8.08980673e-09-1.30521082e-12-9.45681543e 03 3.06459151e 01 4 ch3o 121686c 1h 3o 1 g 0300.00 3000.00 1000.00 1 0.03770800e+02 0.07871497e-01-0.02656384e-04 0.03944431e-08-0.02112616e-12 2 0.01278325e+04 0.02929575e+02 0.02106204e+02 0.07216595e-01 0.05338472e-04 3 -0.07377636e-07 0.02075611e-10 0.09786011e+04 0.01315218e+03 4 ch3och3 103190c 1h 6o 1 g 0300.00 4000.00 1500.00 1 0.01228100e+03 0.06711031e-01-0.04726871e-05-0.03636409e-08 0.06084545e-12 2 -0.02839743e+06-0.04434692e+03 0.01245246e+02 0.02381198e+00-0.08266949e-04 3 0.03068452e-08 0.01909248e-11-0.02335996e+06 0.01855817e+03 4 ch3ocl 53090c 1h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.01022518e+03 0.02780047e-01-0.03331582e-05-0.05437858e-09 0.01012799e-12 2 -0.01172886e+06-0.02912014e+03 0.01575392e+02 0.02255642e+00-0.02052644e-03 3 0.01075312e-06-0.02371140e-10-0.08346834e+05 0.01804593e+03 4 ch3oh 121686c 1h 4o 1 g 0300.00 5000.00 1000.00 1 0.04029061e+02 0.09376593e-01-0.03050254e-04 0.04358793e-08-0.02224723e-12 2 -0.02615791e+06 0.02378196e+02 0.02660115e+02 0.07341508e-01 0.07170051e-04 3 -0.08793194e-07 0.02390570e-10-0.02535348e+06 0.01123263e+03 4 ch3ono 103190c 1h 3n 1o 2g 0300.00 4000.00 1500.00 1 0.01136129e+03 0.04159349e-01-0.04145670e-05-0.01695140e-08 0.03028732e-12 2 -0.01281482e+06-0.03545435e+03 0.01490345e+02 0.02645433e+00-0.02112332e-03 3 0.09414399e-07-0.01811205e-10-0.09125782e+05 0.01813766e+03 4 ch3ono2 103190c 1h 3n 1o 3g 0300.00 4000.00 1500.00 1 0.01436189e+03 0.04112243e-01-0.05113052e-05-0.01496436e-08 0.03012156e-12 2 -0.01972440e+06-0.05131842e+03 0.07803354e+01 0.03454204e+00-0.02822328e-03 3 0.01232324e-06-0.02302164e-10-0.01465346e+06 0.02245752e+03 4 ch3sicl 10891c 1h 3cl 1si 1g 0300.00 4000.00 1500.00 1 0.01001981e+03 0.03098227e-01-0.03223524e-05-0.01222654e-08 0.02254960e-12 2 -0.05427416e+05-0.02357211e+03 0.03485139e+02 0.01833182e+00-0.01573128e-03 3 0.07856310e-07-0.01670946e-10-0.02954042e+05 0.01186948e+03 4 ch3sih2sih 10891c 2h 10si 2 g 0300.00 4000.00 1500.00 1 0.02302241e+03 0.08819047e-01-0.08859755e-05-0.03700889e-08 0.06746256e-12 2 -0.01577058e+06-0.09458104e+03 0.02492915e+02 0.05396367e+00-0.04281663e-03 3 0.01967585e-06-0.03981630e-10-0.07813141e+05 0.01758364e+03 4 ch3sih2sih2ch3 61991h 10c 2si 2 g 0300.00 2500.00 1500.00 1 0.01948332e+03 0.01195163e+00-0.02653155e-05-0.01489522e-07 0.03049901e-11 2 -0.01405639e+06-0.07368209e+03 0.03129493e+02 0.05016930e+00-0.03522061e-03 3 0.01354295e-06-0.02274339e-10-0.08303932e+05 0.01426819e+03 4 ch3sihcl2 10891c 1cl 2h 4si 1g 0300.00 4000.00 1500.00 1 0.01459367e+03 0.04005638e-01-0.04816391e-05-0.01336359e-08 0.02648177e-12 2 -0.05325682e+06-0.04689839e+03 0.04156949e+02 0.02994072e+00-0.02797859e-03 3 0.01431829e-06-0.03010165e-10-0.04952345e+06 0.09043929e+02 4 ch4 121286c 1h 4 g 0300.00 5000.00 1000.00 1 0.01683479e+02 0.01023724e+00-0.03875129e-04 0.06785585e-08-0.04503423e-12 2 -0.01008079e+06 0.09623395e+02 0.07787415e+01 0.01747668e+00-0.02783409e-03 3 0.03049708e-06-0.01223931e-09-0.09825229e+05 0.01372219e+03 4 chcl 112989c 1h 1cl 1 g 0300.00 5000.00 1200.00 1 0.03216518e+02 0.05976969e-01-0.02918238e-04 0.05912801e-08-0.04297945e-12 2 0.03879839e+06 0.07793842e+02 0.02781263e+02 0.07805384e-01-0.01063711e-03 3 0.01065441e-06-0.03916797e-10 0.03916144e+06 0.01045515e+03 4 chcl2 40992h 1c 1cl 2 g 0300.00 4000.00 1500.00 1 0.06912875e+02 0.01251733e-01-0.01973086e-05-0.02153722e-09 0.05853635e-13 2 0.07229632e+05-0.07968135e+02 0.02809820e+02 0.01295936e+00-0.01392392e-03 3 0.07533319e-07-0.01588448e-10 0.08515305e+05 0.01343798e+03 4 chcl2ccl2 40992h 1c 2cl 4 g 0300.00 4000.00 1500.00 1 0.01530640e+03 0.02140772e-01-0.04619954e-05 0.08299157e-10 0.05236928e-13 2 -0.01524306e+05-0.04358303e+03 0.04207169e+02 0.03437580e+00-0.03802411e-03 3 0.02026572e-06-0.04164115e-10 0.01811422e+05 0.01398021e+03 4 chcl2cclo 40992h 1c 2 o 1cl 3g 0300.00 4000.00 1500.00 1 0.01488775e+03 0.02323698e-01-0.04365744e-05-0.01680889e-09 0.08613253e-13 2 -0.03483792e+06-0.04504932e+03 0.04593886e+02 0.03118954e+00-0.03338775e-03 3 0.01763042e-06-0.03630728e-10-0.03160866e+06 0.08756166e+02 4 chcl2ch2 53090c 2h 3cl 2 g 0300.00 5000.00 1500.00 1 0.01306632e+03 0.02964322e-01-0.04303601e-05-0.03173131e-09 0.08244908e-13 2 0.04594697e+05-0.03814765e+03 0.02234889e+02 0.03152885e+00-0.03307990e-03 3 0.01825221e-06-0.03994163e-10 0.08375531e+05 0.01944506e+03 4 chcl2chcl 53090c 2h 2cl 3 g 0300.00 5000.00 1500.00 1 0.01445051e+03 0.02336553e-01-0.04132107e-05-0.05243785e-11 0.04204775e-13 2 -0.05183250e+04-0.04362699e+03 0.03789098e+02 0.03243338e+00-0.03598339e-03 3 0.01993302e-06-0.04287482e-10 0.02920910e+05 0.01221991e+03 4 chcl2chcl2 53090c 2h 2cl 4 g 0300.00 5000.00 1500.00 1 0.01745859e+03 0.02484178e-01-0.05127803e-05 0.02266909e-09 0.02371932e-13 2 -0.02510699e+06-0.06065213e+03 0.02711746e+02 0.04441279e+00-0.04905962e-03 3 0.02632472e-06-0.05466293e-10-0.02052421e+06 0.01624857e+03 4 chcl3 40992h 1c 1cl 3 g 0300.00 4000.00 1500.00 1 0.01034980e+03 0.01690302e-01-0.03209168e-05-0.09502160e-10 0.05845725e-13 2 -0.01567029e+06-0.02558805e+03 0.02905633e+02 0.02315061e+00-0.02534675e-03 3 0.01356724e-06-0.02810882e-10-0.01339798e+06 0.01310749e+03 4 chclccl 40992h 1c 2cl 2 g 0300.00 4000.00 1500.00 1 0.01027647e+03 0.01733039e-01-0.03161161e-05-0.08153494e-10 0.05443014e-13 2 0.02418877e+06-0.02436862e+03 0.02625129e+02 0.02366908e+00-0.02583240e-03 3 0.01383374e-06-0.02870111e-10 0.02654214e+06 0.01545629e+03 4 chclccloh 53090c 2h 2o 1cl 2g 0300.00 5000.00 1500.00 1 0.01412206e+03 0.02583764e-01-0.04576900e-05 0.05215675e-10 0.03521300e-13 2 -0.02752482e+06-0.04544297e+03 0.02020547e+02 0.03810981e+00-0.04280147e-03 3 0.02343806e-06-0.04934735e-10-0.02385982e+06 0.01729375e+03 4 chclch 53090c 2h 2cl 1 g 0300.00 5000.00 1500.00 1 0.09924881e+02 0.01618108e-01-0.02995768e-05-0.09718417e-11 0.03296695e-13 2 0.02834312e+06-0.02704593e+03 0.01190122e+02 0.02432800e+00-0.02555965e-03 3 0.01375158e-06-0.02941848e-10 0.03138157e+06 0.01944186e+03 4 chclchcl 53090c 2h 2cl 2 g 0300.00 5000.00 1500.00 1 0.01163648e+03 0.02461981e-01-0.03900520e-05-0.01521677e-09 0.05853766e-13 2 -0.05593248e+05-0.03507354e+03 0.01054340e+02 0.03076645e+00-0.03252549e-03 3 0.01763454e-06-0.03774444e-10-0.02006846e+05 0.02094011e+03 4 chclchoh 53090c 2h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.01285464e+03 0.03107712e-01-0.04837735e-05-0.02088657e-09 0.07393125e-13 2 -0.02505588e+06-0.04274804e+03-0.02073397e+01 0.03868022e+00-0.04104567e-03 3 0.02211252e-06-0.04680556e-10-0.02074261e+06 0.02608356e+03 4 chcloh 53090c 1h 2o 1cl 1g 0300.00 5000.00 1500.00 1 0.09427376e+02 0.01722643e-01-0.02912707e-05-0.03765845e-10 0.03354461e-13 2 -0.01224575e+06-0.02330123e+03 0.01319372e+02 0.02406119e+00-0.02560105e-03 3 0.01356738e-06-0.02812530e-10-0.09640457e+05 0.01925640e+03 4 chclohch2 53090c 2h 4o 1cl 1g 0300.00 5000.00 1500.00 1 0.01438435e+03 0.03552541e-01-0.05033147e-05-0.04051247e-09 0.01001172e-12 2 -0.01383899e+06-0.04819745e+03 0.01473757e+02 0.03764188e+00-0.03898776e-03 3 0.02112109e-06-0.04543830e-10-0.09395106e+05 0.02033823e+03 4 chclohchcl 53090c 2h 3o 1cl 2g 0300.00 5000.00 1500.00 1 0.01567240e+03 0.02970040e-01-0.04827588e-05-0.01366600e-09 0.06500296e-13 2 -0.01896002e+06-0.05132923e+03 0.02626025e+02 0.03856175e+00-0.04091474e-03 3 0.02190241e-06-0.04603080e-10-0.01468188e+06 0.01735864e+03 4 chf 82489c 1h 1f 1 g 0300.00 5000.00 1000.00 1 0.04242812e+02 0.02066316e-01-0.06527951e-05 0.01388700e-08-0.01213336e-12 2 0.01355982e+06 0.01680197e+02 0.03029061e+02 0.04850873e-01-0.04971679e-04 3 0.05277968e-07-0.02403154e-10 0.01401435e+06 0.08324101e+02 4 chf3 82489c 1h 1f 3 g 0300.00 5000.00 1000.00 1 0.06834333e+02 0.06248731e-01-0.02575750e-04 0.04809112e-08-0.03352074e-12 2 -0.08663771e+06-0.01062741e+03 0.08725142e+01 0.02308432e+00-0.02123718e-03 3 0.01114428e-06-0.02909229e-10-0.08496391e+06 0.02021499e+03 4 chohclccl2 53090c 2h 2o 1cl 3g 0300.00 5000.00 1500.00 1 0.01681824e+03 0.02450153e-01-0.04706624e-05 0.01313263e-09 0.03046283e-13 2 -0.02253368e+06-0.05396958e+03 0.04216444e+02 0.03898554e+00-0.04360467e-03 3 0.02374677e-06-0.04984764e-10-0.01867017e+06 0.01152520e+03 4 chsicl 40992h 1c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.08205361e+02 0.01092172e-01-0.02021812e-05-0.04611367e-10 0.03306854e-13 2 0.04201323e+06-0.01240589e+03 0.04575767e+02 0.01266147e+00-0.01507699e-03 3 0.08704482e-07-0.01902710e-10 0.04304864e+06 0.06132926e+02 4 chsicl2 40992h 1c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01071823e+03 0.01148355e-01-0.02625783e-05 0.01567972e-09 0.01085455e-13 2 0.01124882e+06-0.02053734e+03 0.05945817e+02 0.01709681e+00-0.02135360e-03 3 0.01252863e-06-0.02749860e-10 0.01253413e+06 0.03573691e+02 4 chsicl3 40992h 1c 1si 1cl 3g 0300.00 4000.00 1500.00 1 0.01359698e+03 0.01283679e-01-0.03320724e-05 0.03292615e-09-0.05463635e-14 2 -0.02236189e+06-0.03349768e+03 0.07368467e+02 0.02227384e+00-0.02809218e-03 3 0.01644147e-06-0.03590729e-10-0.02071740e+06-0.02118077e+02 4 chsih2cl 40992h 3c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01142815e+03 0.02475732e-01-0.03864817e-05-0.04667547e-09 0.01222497e-12 2 0.02085332e+06-0.03033129e+03 0.02869509e+02 0.02622702e+00-0.02794178e-03 3 0.01516891e-06-0.03231519e-10 0.02364000e+06 0.01462055e+03 4 chsihcl 40992h 2c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.09716450e+02 0.01691882e-01-0.02846288e-05-0.02130090e-09 0.06948758e-13 2 0.03056780e+06-0.02079822e+03 0.04045980e+02 0.01850072e+00-0.02095734e-03 3 0.01185107e-06-0.02580401e-10 0.03232392e+06 0.08632908e+02 4 chsihcl2 40992h 2c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01246646e+03 0.01911555e-01-0.03687550e-05-0.05466318e-10 0.05749803e-13 2 -0.09679288e+04-0.03163481e+03 0.04853917e+02 0.02509790e+00-0.02916486e-03 3 0.01649649e-06-0.03563598e-10 0.01297543e+05 0.07606296e+02 4 cl 42189cl 1 g 0300.00 5000.00 1000.00 1 0.02920237e+02-0.03597985e-02 0.01294294e-05-0.02162776e-09 0.01376517e-13 2 0.01371338e+06 0.03262690e+02 0.02381577e+02 0.08891079e-02 0.04070476e-05 3 -0.02168943e-07 0.01160827e-10 0.01383999e+06 0.06021818e+02 4 cl(ch3)sich2 40992h 5c 2si 1cl 1g 0300.00 4000.00 1500.00 1 0.01496923e+03 0.05605854e-01-0.06191278e-05-0.02134591e-08 0.03977673e-12 2 -0.01304066e+06-0.05036296e+03 0.02980753e+02 0.03627511e+00-0.03428566e-03 3 0.01799146e-06-0.03853029e-10-0.08814405e+05 0.01362870e+03 4 cl2 42189cl 2 g 0300.00 5000.00 1000.00 1 0.04274587e+02 0.03717337e-02-0.01893490e-05 0.05337465e-09-0.05057602e-13 2 -0.01331149e+05 0.02256947e+02 0.03439587e+02 0.02870774e-01-0.02385871e-04 3 0.02892918e-08 0.02915057e-11-0.01131787e+05 0.06471359e+02 4 cl2cccl2 40992c 2cl 4 g 0300.00 4000.00 1500.00 1 0.01440000e+03 0.01269397e-01-0.03525286e-05 0.04493620e-09-0.02348053e-13 2 -0.08039017e+05-0.04321878e+03 0.05557831e+02 0.02778255e+00-0.03176769e-03 3 0.01706054e-06-0.03492940e-10-0.05495042e+05 0.02293508e+02 4 cl2cchcl 40992h 1c 2cl 3 g 0300.00 4000.00 1500.00 1 0.01278204e+03 0.02068630e-01-0.03764411e-05-0.09077792e-10 0.06116574e-13 2 -0.06934337e+05-0.03655991e+03 0.03457684e+02 0.02848717e+00-0.03070062e-03 3 0.01624951e-06-0.03341401e-10-0.04047205e+05 0.01206381e+03 4 cl2ccho 40992h 1c 2 o 1cl 2g 0300.00 4000.00 1500.00 1 0.01294627e+03 0.02168144e-01-0.04244587e-05-0.03590986e-09 0.01220303e-12 2 -0.01144361e+06-0.03783814e+03 0.03400952e+02 0.02760695e+00-0.02843245e-03 3 0.01470263e-06-0.03017427e-10-0.08287517e+05 0.01257321e+03 4 cl2choh 53090c 1h 2o 1cl 2g 0300.00 5000.00 1500.00 1 0.01129114e+03 0.02286704e-01-0.03461513e-05-0.01814480e-09 0.05661342e-13 2 -0.03803060e+06-0.03079831e+03 0.02619078e+02 0.02601286e+00-0.02784252e-03 3 0.01528682e-06-0.03294008e-10-0.03513998e+06 0.01492462e+03 4 cl2co 40992c 1 o 1cl 2 g 0300.00 4000.00 1500.00 1 0.08764773e+02 0.08919938e-02-0.02237590e-05 0.01486621e-09 0.09630870e-14 2 -0.02973390e+06-0.01732025e+03 0.03460242e+02 0.01632331e+00-0.01828304e-03 3 0.09805656e-07-0.02024319e-10-0.02813622e+06 0.01019127e+03 4 cl2coh 53090c 1o 1h 1cl 2g 0300.00 5000.00 1500.00 1 0.01026215e+03 0.01316796e-01-0.02754008e-05 0.01630771e-09 0.06472563e-14 2 -0.01511655e+06-0.02298315e+03 0.03800719e+02 0.02204678e+00-0.02673857e-03 3 0.01531854e-06-0.03305323e-10-0.01332053e+06 0.09915879e+02 4 cl2hco 53090c 1h 1o 1cl 2g 0300.00 5000.00 1500.00 1 0.01051838e+03 0.01499316e-01-0.02927670e-05 0.07898750e-10 0.01988433e-13 2 -0.06272394e+05-0.02634097e+03 0.02241202e+02 0.02456990e+00-0.02682371e-03 3 0.01443170e-06-0.03023080e-10-0.03624526e+05 0.01703508e+03 4 cl2si(ch3)2 40992h 6c 2si 1cl 2g 0300.00 4000.00 1500.00 1 0.01890988e+03 0.06245385e-01-0.06370532e-05-0.02508388e-08 0.04589637e-12 2 -0.06523166e+06-0.06829627e+03 0.05958770e+02 0.03632045e+00-0.03098078e-03 3 0.01545683e-06-0.03292671e-10-0.06031232e+06 0.01996401e+02 4 cl2si(ch3)ch2 40992h 5c 2si 1cl 2g 0300.00 4000.00 1500.00 1 0.01795078e+03 0.05155757e-01-0.06049094e-05-0.01717793e-08 0.03355529e-12 2 -0.03961749e+06-0.05949218e+03 0.05993815e+02 0.03621806e+00-0.03546358e-03 3 0.01906128e-06-0.04137511e-10-0.03541814e+06 0.04216162e+02 4 cl2sich2 40992h 2c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01186709e+03 0.02689241e-01-0.04231139e-05-0.05555102e-09 0.01367174e-12 2 -0.02169965e+06-0.03225026e+03 0.04111900e+02 0.02637445e+00-0.02985130e-03 3 0.01679309e-06-0.03625511e-10-0.01940307e+06 0.07695176e+02 4 cl2sich3 40992h 3c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01285090e+03 0.03239360e-01-0.03774509e-05-0.01111777e-08 0.02163712e-12 2 -0.03164727e+06-0.03531424e+03 0.05273286e+02 0.02205797e+00-0.02049425e-03 3 0.01060061e-06-0.02257829e-10-0.02891555e+06 0.05340218e+02 4 cl2sisi 40992si 2cl 2 g 0300.00 4000.00 1500.00 1 0.09706403e+02 0.03323652e-02-0.01679851e-05 0.04061274e-09-0.03746093e-13 2 0.01334060e+06-0.01565614e+03 0.06576632e+02 0.01105568e+00-0.01422816e-03 3 0.08199114e-07-0.01752833e-10 0.01412004e+06 0.06538601e-02 4 cl2sisicl 40992si 2cl 3 g 0300.00 4000.00 1500.00 1 0.01304318e+03-0.01847658e-03-0.02187635e-05 0.08817012e-09-0.01004063e-12 2 -0.01640770e+06-0.02832289e+03 0.08389457e+02 0.01629172e+00-0.02138192e-03 3 0.01207431e-06-0.02508349e-10-0.01534318e+06-0.05268396e+02 4 cl2sisicl2 40992si 2cl 4 g 0300.00 4000.00 1500.00 1 0.01620538e+03 0.08400587e-04-0.02457560e-05 0.08992196e-09-0.09639101e-13 2 -0.05343016e+06-0.04193027e+03 0.01077595e+03 0.01717615e+00-0.02131386e-03 3 0.01172528e-06-0.02417202e-10-0.05196762e+06-0.01431634e+03 4 cl3cco 81092c 2o 1cl 3 g 0300.00 5000.00 1400.00 1 0.01383246e+03 0.01240141e-01-0.03510210e-05 0.04103960e-09-0.01475220e-13 2 0.07499342e+07-0.03691505e+03 0.05016825e+02 0.02899350e+00-0.03563990e-03 3 0.02082488e-06-0.04661957e-10 0.07524076e+07 0.08141487e+02 4 cl3co 53090c 1o 1cl 3 g 0300.00 5000.00 1500.00 1 0.01208526e+03 0.07759038e-02-0.02700075e-05 0.04346263e-09-0.02671642e-13 2 -0.06464079e+05-0.03099432e+03 0.04548646e+02 0.02463303e+00-0.02974898e-03 3 0.01647154e-06-0.03433021e-10-0.04416522e+05 0.07360693e+02 4 cl3coh 53090c 1o 1h 1cl 3g 0300.00 5000.00 1500.00 1 0.01285985e+03 0.01588083e-01-0.03377500e-05 0.02031362e-09 0.08017922e-14 2 -0.03807818e+06-0.03561945e+03 0.04269172e+02 0.02791723e+00-0.03272753e-03 3 0.01828272e-06-0.03882978e-10-0.03558880e+06 0.08521096e+02 4 cl3sich3 40992h 3c 1si 1cl 3g 0300.00 4000.00 1500.00 1 0.01572988e+03 0.03373817e-01-0.04472970e-05-0.09359551e-09 0.01995442e-12 2 -0.07539927e+06-0.05017697e+03 0.06708039e+02 0.02724465e+00-0.02730290e-03 3 0.01457864e-06-0.03116460e-10-0.07231476e+06-0.02328694e+02 4 cl3sisi 40992si 2cl 3 g 0300.00 4000.00 1500.00 1 0.01263015e+03 0.04310339e-02-0.02248369e-05 0.05573034e-09-0.05229996e-13 2 -0.01723335e+06-0.02767933e+03 0.08429942e+02 0.01496243e+00-0.01942087e-03 3 0.01125326e-06-0.02414611e-10-0.01619796e+06-0.06711706e+02 4 cl3sisicl 40992si 2cl 4 g 0300.00 4000.00 1500.00 1 0.01503498e+03 0.05376136e-02-0.02788507e-05 0.06889626e-09-0.06454867e-13 2 -0.05496076e+06-0.03460735e+03 0.09721335e+02 0.01889709e+00-0.02451039e-03 3 0.01419597e-06-0.03045164e-10-0.05364875e+06-0.08073287e+02 4 clcccl 40992c 2cl 2 g 0300.00 4000.00 1500.00 1 0.09105373e+02 0.09281996e-02-0.01948371e-05 0.01590377e-10 0.02472937e-13 2 0.02507216e+06-0.02072870e+03 0.05118707e+02 0.01243668e+00-0.01386540e-03 3 0.07609302e-07-0.01615959e-10 0.02631398e+06 0.03298777e+00 4 clcco 53090c 2o 1cl 1 g 0300.00 5000.00 1500.00 1 0.09368609e+02 0.03733935e-02-0.01286981e-05 0.01206469e-09 0.09220283e-15 2 0.01762808e+06-0.02046752e+03 0.04417443e+02 0.01129365e+00-0.01013488e-03 3 0.04661357e-07-0.09098661e-11 0.01952423e+06 0.06539246e+02 4 clch2oh 53090c 1h 3o 1cl 1g 0300.00 5000.00 1500.00 1 0.09750194e+02 0.02974385e-01-0.03450482e-05-0.06010047e-09 0.01089784e-12 2 -0.03248678e+06-0.02345467e+03 0.08330910e+01 0.02358999e+00-0.02137297e-03 3 0.01105808e-06-0.02402402e-10-0.02905351e+06 0.02503745e+03 4 clco 40992c 1 o 1cl 1 g 0300.00 4000.00 1500.00 1 0.06134827e+02 0.05369294e-02-0.07583742e-06-0.01514557e-09 0.03376080e-13 2 -0.05363338e+05-0.03198172e+02 0.04790425e+02 0.03165209e-01-0.02098201e-04 3 0.07703306e-08-0.01346351e-11-0.04812905e+05 0.04257480e+02 4 clcoh 53090c 1h 1o 1cl 1g 0300.00 5000.00 1500.00 1 0.07642908e+02 0.01507814e-01-0.02651581e-05-0.01466785e-09 0.04797316e-13 2 -0.02511908e+05-0.01405046e+03 0.02037663e+02 0.01733328e+00-0.01936443e-03 3 0.01099366e-06-0.02427341e-10-0.06596141e+04 0.01538422e+03 4 clh2co 53090c 1h 2o 1cl 1g 0300.00 5000.00 1500.00 1 0.09104530e+02 0.02130629e-01-0.02994563e-05-0.02733652e-09 0.06437597e-13 2 -0.05255641e+05-0.02258799e+03 0.08437505e+01 0.02258903e+00-0.02217447e-03 3 0.01165204e-06-0.02487574e-10-0.02264707e+05 0.02176388e+03 4 clhco 40992h 1c 1 o 1cl 1g 0300.00 4000.00 1500.00 1 0.07132409e+02 0.01686027e-01-0.02034320e-05-0.05804520e-09 0.01152902e-12 2 -0.02522232e+06-0.01150137e+03 0.02378612e+02 0.01278870e+00-0.01094130e-03 3 0.05089666e-07-0.09985544e-11-0.02348305e+06 0.01417749e+03 4 clo 40992 o 1cl 1 g 0300.00 4000.00 1500.00 1 0.04320627e+02 0.01730970e-02-0.07157875e-06 0.01424639e-09-0.01115543e-13 2 0.01328601e+06 0.01764362e+02 0.02918696e+02 0.04664857e-01-0.05654826e-04 3 0.03131108e-07-0.06515478e-11 0.01365989e+06 0.08877238e+02 4 clocl 53090o 1cl 2 g 0300.00 5000.00 1500.00 1 0.06635186e+02 0.03284434e-02-0.01225328e-05 0.02123621e-09-0.01404377e-13 2 0.07672352e+05-0.06410996e+02 0.03397880e+02 0.01080127e+00-0.01324655e-03 3 0.07392960e-07-0.01546583e-10 0.08527797e+05 0.09981834e+02 4 cloo 40992 o 2cl 1 g 0300.00 4000.00 1500.00 1 0.06500858e+02 0.04259430e-02-0.01471496e-05 0.02312042e-09-0.01357033e-13 2 0.01465068e+06-0.05831007e+02 0.03097113e+02 0.01088530e+00-0.01274586e-03 3 0.06909658e-07-0.01419679e-10 0.01560137e+06 0.01159355e+03 4 clsi(ch3)2 40992h 6c 2si 1cl 1g 0300.00 4000.00 1500.00 1 0.01602072e+03 0.06121766e-01-0.05697358e-05-0.02685516e-08 0.04764446e-12 2 -0.02023771e+06-0.05448286e+03 0.04366292e+02 0.03146501e+00-0.02442313e-03 3 0.01155763e-06-0.02441972e-10-0.01561856e+06 0.09415220e+02 4 clsi(ch3)2ch2 40992h 8c 3si 1cl 1g 0300.00 4000.00 1500.00 1 0.02115100e+03 0.08018265e-01-0.07924248e-05-0.03295050e-08 0.05955233e-12 2 -0.02795355e+06-0.07954995e+03 0.05283182e+02 0.04510586e+00-0.03881938e-03 3 0.01972924e-06-0.04266615e-10-0.02191153e+06 0.06553031e+02 4 clsi(ch3)3 40992h 9c 3si 1cl 1g 0300.00 4000.00 1500.00 1 0.02209311e+03 0.09120019e-01-0.08258094e-05-0.04093090e-08 0.07203542e-12 2 -0.05338834e+06-0.08746922e+03 0.05151450e+02 0.04536455e+00-0.03440035e-03 3 0.01610968e-06-0.03411234e-10-0.04659624e+06 0.05658041e+02 4 clsich3 40992h 3c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01002062e+03 0.03097435e-01-0.03221687e-05-0.01222123e-08 0.02253457e-12 2 -0.05623578e+05-0.02357626e+03 0.03485850e+02 0.01832800e+00-0.01572477e-03 3 0.07852071e-07-0.01669997e-10-0.03149803e+05 0.01186709e+03 4 clsisi 40992si 2cl 1 g 0300.00 4000.00 1500.00 1 0.06847303e+02 0.01844250e-02-0.09793979e-06 0.02440659e-09-0.02287823e-13 2 0.04772443e+06-0.03339368e+02 0.05234557e+02 0.05788035e-01-0.07516996e-04 3 0.04356402e-07-0.09346885e-11 0.04811932e+06 0.04702599e+02 4 clsisicl 40992si 2cl 2 g 0300.00 4000.00 1500.00 1 0.01008343e+03-0.01216815e-02-0.01555866e-05 0.07247150e-09-0.08633006e-13 2 0.01376083e+06-0.01644862e+03 0.07022588e+02 0.01136420e+00-0.01558778e-03 3 0.08961882e-07-0.01874769e-10 0.01437523e+06-0.01570360e+02 4 cn 121286c 1n 1 g 0300.00 5000.00 1000.00 1 0.03720120e+02 0.01518351e-02 0.01987381e-05-0.03798371e-09 0.01328230e-13 2 0.05111626e+06 0.02888597e+02 0.03663204e+02-0.01156529e-01 0.02163409e-04 3 0.01854208e-08-0.08214695e-11 0.05128118e+06 0.03739016e+02 4 cn+ 121286c 1n 1e -1 g 0300.00 5000.00 1000.00 1 0.03701463e+02 0.07482931e-02-0.01790173e-05 0.02366368e-09-0.01437037e-13 2 0.02155966e+07 0.04108678e+02 0.03118657e+02 0.01553258e-01-0.09487764e-05 3 0.01479501e-07-0.09096763e-11 0.02158512e+07 0.07456254e+02 4 cn- 121286c 1n 1e 1 g 0300.00 5000.00 1000.00 1 0.02981277e+02 0.01464773e-01-0.05672737e-05 0.01017623e-08-0.06870931e-13 2 0.06346098e+05 0.06171693e+02 0.03278995e+02 0.01464192e-01-0.03925899e-04 3 0.05629875e-07-0.02473497e-10 0.06279509e+05 0.04568972e+02 4 cn2 121686c 1n 2 g 0300.00 5000.00 1000.00 1 0.05567064e+02 0.02100501e-01-0.09010517e-05 0.01718572e-08-0.01206255e-12 2 0.05489968e+06-0.05630054e+02 0.03039964e+02 0.08812105e-01-0.07605508e-04 3 0.03554357e-07-0.08746100e-11 0.05563268e+06 0.07555298e+02 4 cnn 121286c 1n 2 g 0300.00 5000.00 1000.00 1 0.04785930e+02 0.02559554e-01-0.01003133e-04 0.01807149e-08-0.01227383e-12 2 0.06870411e+06-0.02953957e+01 0.03524436e+02 0.07271923e-01-0.08272698e-04 3 0.05628705e-07-0.01641576e-10 0.06899647e+06 0.05932445e+02 4 cno 103190c 1n 1o 1 g 0300.00 4000.00 1500.00 1 0.06328598e+02 0.07390401e-02-0.01110761e-05-0.01846498e-09 0.04400816e-13 2 0.04683387e+06-0.09091839e+02 0.03819863e+02 0.06416255e-01-0.05303312e-04 3 0.02308211e-07-0.04256414e-11 0.04775979e+06 0.04507300e+02 4 co 121286c 1o 1 g 0300.00 5000.00 1000.00 1 0.03025078e+02 0.01442689e-01-0.05630828e-05 0.01018581e-08-0.06910952e-13 2 -0.01426835e+06 0.06108218e+02 0.03262452e+02 0.01511941e-01-0.03881755e-04 3 0.05581944e-07-0.02474951e-10-0.01431054e+06 0.04848897e+02 4 co2 121286c 1o 2 g 0300.00 5000.00 1000.00 1 0.04453623e+02 0.03140169e-01-0.01278411e-04 0.02393997e-08-0.01669033e-12 2 -0.04896696e+06-0.09553959e+01 0.02275725e+02 0.09922072e-01-0.01040911e-03 3 0.06866687e-07-0.02117280e-10-0.04837314e+06 0.01018849e+03 4 co2- 121286c 1o 2e 1 g 0300.00 5000.00 1000.00 1 0.04610574e+02 0.02532962e-01-0.01070165e-04 0.02026771e-08-0.01424958e-12 2 -0.05479882e+06 0.01449630e+02 0.02637077e+02 0.07803230e-01-0.08196187e-04 3 0.06537897e-07-0.02520220e-10-0.05416773e+06 0.01188955e+03 4 cos 121286c 1o 1s 1 g 0300.00 5000.00 1000.00 1 0.05191925e+02 0.02506123e-01-0.01024396e-04 0.01943914e-08-0.01370800e-12 2 -0.01846210e+06-0.02825755e+02 0.02858531e+02 0.09515458e-01-0.08884915e-04 3 0.04220994e-07-0.08557340e-11-0.01785145e+06 0.09081989e+02 4 cs 121686c 1s 1 g 0300.00 5000.00 1000.00 1 0.03737431e+02 0.08180451e-02-0.03178918e-05 0.05356801e-09-0.02886195e-13 2 0.03247725e+06 0.03576557e+02 0.02938623e+02 0.02724352e-01-0.02397707e-04 3 0.01689501e-07-0.06665050e-11 0.03273992e+06 0.07848720e+02 4 cs2 121286c 1s 2 g 0300.00 5000.00 1000.00 1 0.05930515e+02 0.01813645e-01-0.07492172e-05 0.01445892e-08-0.01032638e-12 2 0.01205117e+06-0.06093910e+02 0.03566139e+02 0.08374928e-01-0.06835704e-04 3 0.02091214e-07-0.06737193e-12 0.01268848e+06 0.06085967e+02 4 csicl 40992c 1si 1cl 1 g 0300.00 4000.00 1500.00 1 0.06817655e+02 0.02139344e-02-0.01117811e-05 0.02768133e-09-0.02593011e-13 2 0.07133105e+06-0.04934821e+02 0.04809756e+02 0.07155653e-01-0.09274105e-04 3 0.05368218e-07-0.01150991e-10 0.07182609e+06 0.05089754e+02 4 csicl2 40992c 1si 1cl 2 g 0300.00 4000.00 1500.00 1 0.09603536e+02 0.04212005e-02-0.02008617e-05 0.04653654e-09-0.04174779e-13 2 0.04167197e+06-0.01686119e+03 0.05482765e+02 0.01432904e+00-0.01824531e-03 3 0.01044588e-06-0.02224179e-10 0.04271677e+06 0.03823593e+02 4 csicl3 40992c 1si 1cl 3 g 0300.00 4000.00 1500.00 1 0.01250544e+03 0.05339218e-02-0.02588613e-05 0.06075307e-09-0.05497769e-13 2 0.04346089e+04-0.02851950e+03 0.07246579e+02 0.01837148e+00-0.02348583e-03 3 0.01347935e-06-0.02874547e-10 0.01760441e+05-0.02151092e+02 4 csih2cl 40992h 2c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01027485e+03 0.01774759e-01-0.03308189e-05-0.01554251e-09 0.07008815e-13 2 0.04915449e+06-0.02589174e+03 0.02180376e+02 0.02405210e+00-0.02551666e-03 3 0.01345591e-06-0.02782039e-10 0.05175432e+06 0.01659754e+03 4 csihcl 40992h 1c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.08584251e+02 0.09503299e-02-0.01990512e-05 0.07276089e-11 0.02697011e-13 2 0.05701632e+06-0.01616263e+03 0.04195792e+02 0.01336658e+00-0.01458110e-03 3 0.07822924e-07-0.01632113e-10 0.05839343e+06 0.06755654e+02 4 csihcl2 40992h 1c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01133022e+03 0.01200867e-01-0.03112842e-05 0.02565133e-09 0.05146234e-14 2 0.02764986e+06-0.02737920e+03 0.04205701e+02 0.02278870e+00-0.02653546e-03 3 0.01465130e-06-0.03083816e-10 0.02972624e+06 0.09294144e+02 4 dioxane 103190c 4h 8o 2 g 0300.00 4000.00 1500.00 1 0.02168170e+03 0.01049644e+00-0.01053878e-04-0.04473945e-08 0.08168288e-12 2 -0.04922005e+06-0.09955139e+03-0.05862900e+02 0.07081444e+00-0.05458695e-03 3 0.02315148e-06-0.04289514e-10-0.03876477e+06 0.05061959e+03 4 e 120186e 1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.07453749e+04-0.01173403e+03 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.07453750e+04-0.01173403e+03 4 f 121286f 1 g 0300.00 5000.00 1000.00 1 0.02687459e+02-0.02010358e-02 0.08597957e-06-0.01644974e-09 0.01166160e-13 2 0.08722883e+05 0.03882212e+02 0.02913905e+02-0.07336339e-02 0.05571015e-05 3 -0.02666871e-08 0.08643255e-12 0.08651201e+05 0.02677115e+02 4 f2 121286f 2 g 0300.00 5000.00 1000.00 1 0.04018308e+02 0.06221479e-02-0.02420845e-05 0.04742076e-09-0.03418141e-13 2 -0.01300713e+05 0.01126327e+02 0.02940287e+02 0.03491492e-01-0.02458208e-04 3 0.01837073e-08 0.02850917e-11-0.01010430e+05 0.06694194e+02 4 f2sinh 42489si 1n 1f 2h 1g 0300.00 3000.00 1000.00 1 0.01004830e+03 0.01983144e-01-0.02703169e-05-0.01767853e-08 0.04444368e-12 2 -0.07739741e+06-0.02303889e+03 0.04951547e+02 0.01329636e+00-0.02098648e-04 3 -0.01007276e-06 0.05552286e-10-0.07597541e+06 0.03690891e+02 4 f3sin 22790f 3si 1n 1 g 0300.00 4000.00 1000.00 1 0.01151242e+03 0.01115029e-01-0.01605465e-05-0.05271933e-09 0.01160900e-12 2 -0.01045919e+07-0.02981224e+03 0.06028419e+02 0.01278681e+00-0.01878856e-04 3 -0.09695426e-07 0.05184848e-10-0.01029950e+07-0.08217831e+01 4 fnnf 42489f 2n 2 g 0300.00 3000.00 1000.00 1 0.07255211e+02 0.02274410e-01-0.02793346e-05-0.02203844e-08 0.05359234e-12 2 0.06360353e+05-0.01094248e+03 0.03127143e+02 0.01057134e+00-0.09746112e-05 3 -0.07208357e-07 0.03567978e-10 0.07615831e+05 0.01107465e+03 4 fno3 121286f 1n 1o 3 g 0300.00 5000.00 1000.00 1 0.09176275e+02 0.04219072e-01-0.01835576e-04 0.03553718e-08-0.02541078e-12 2 -0.02118639e+05-0.01934397e+03 0.02985786e+02 0.02094642e+00-0.01652733e-03 3 0.04318770e-07 0.01660784e-11-0.04237215e+04 0.01266793e+03 4 fo 121286f 1o 1 g 0300.00 5000.00 1000.00 1 0.03913735e+02 0.07210714e-02-0.02796614e-05 0.05337821e-09-0.03720184e-13 2 0.01180141e+06 0.03346368e+02 0.02879578e+02 0.03399121e-01-0.02572855e-04 3 0.07422381e-08-0.04328053e-12 0.01209663e+06 0.08738887e+02 4 fo2 121286f 1o 2 g 0300.00 5000.00 1000.00 1 0.05678971e+02 0.01442455e-01-0.06229546e-05 0.01199612e-08-0.08543416e-13 2 -0.03861836e+04-0.01941812e+02 0.03872542e+02 0.06409974e-01-0.05517785e-04 3 0.02232771e-07-0.03876157e-11 0.01157076e+04 0.07406950e+02 4 fsin 42489si 1n 1f 1 g 0300.00 3000.00 1000.00 1 0.06269572e+02 0.06747867e-02-0.01241976e-05-0.04970158e-09 0.01424452e-12 2 0.02533350e+06-0.04201141e+02 0.04269969e+02 0.05298358e-01-0.01103802e-04 3 -0.03962805e-07 0.02282982e-10 0.02587238e+06 0.06215038e+02 4 ga 62987ga 1 g 0300.00 1500.00 0600.00 1 0.02679919e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.03368804e+06 0.06788109e+02 0.02679919e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.03368804e+06 0.06788109e+02 4 ga2h6 62987ga 2h 6 g 0300.00 1500.00 0600.00 1 0.06016247e+02 0.01788370e+00-0.01204229e-05-0.06487881e-07 0.02075367e-10 2 0.01312548e+06-0.05228030e+02-0.03914561e+02 0.04965434e+00 0.07401904e-04 3 -0.01124137e-05 0.08726339e-09 0.01493079e+06 0.04274883e+03 4 gaas 62987ga 1as 1 g 0300.00 1500.00 0600.00 1 0.04471149e+02 0.04238449e-02-0.02279405e-05-0.04441172e-10 0.02618952e-12 2 0.04313359e+06 0.06212471e+02 0.03967474e+02 0.02318966e-01-0.01145452e-04 3 -0.03411431e-07 0.03365821e-10 0.04321919e+06 0.08599628e+02 4 gaas(3,c) 62987ga 3as 3 g 0300.00 1500.00 0600.00 1 0.01485247e+03 0.02959435e-01-0.07124246e-05-0.05316048e-08 0.01287321e-11 2 0.01191262e+07-0.03514144e+03 0.01470189e+03 0.03827728e-01-0.02945747e-04 3 0.02465370e-07-0.01520598e-10 0.01191496e+07-0.03445955e+03 4 gaas(3,l) 62987ga 3as 3 g 0300.00 1500.00 0600.00 1 0.01356850e+03 0.02802435e-01-0.07969918e-05-0.06437098e-08 0.01560255e-11 2 0.01248005e+07-0.01381063e+03 0.01341276e+03 0.03617689e-01-0.02726209e-04 3 0.01877183e-07-0.01259178e-10 0.01248265e+07-0.01309195e+03 4 gaas(5,c) 62987ga 5as 5 g 0300.00 1500.00 0600.00 1 0.02573672e+03 0.05523956e-01-0.01203468e-04-0.01043743e-07 0.02528931e-11 2 0.01721381e+07-0.08254488e+03 0.02546512e+03 0.07014337e-01-0.04881356e-04 3 0.03825484e-07-0.02450420e-10 0.01721819e+07-0.08130267e+03 4 gaas(5,l) 62987ga 5as 5 g 0300.00 1500.00 0600.00 1 0.03045793e+03 0.05403152e-01-0.01649477e-04-0.09968842e-08 0.02413154e-11 2 0.02020691e+07-0.07768010e+03 0.03015255e+03 0.07234394e-01-0.06497994e-04 3 0.05559585e-07-0.03339653e-10 0.02021151e+07-0.07630866e+03 4 gaet 62987ga 1c 2h 5 g 0300.00 1500.00 0600.00 1 0.05932970e+02 0.01342454e+00 0.04110518e-05-0.04286069e-07 0.01238710e-10 2 0.06504863e+05 0.03090838e+02 0.01846399e+02 0.02592050e+00 0.05522394e-04 3 -0.04977960e-06 0.03654362e-09 0.07264445e+05 0.02294639e+03 4 gaet2 62987ga 1c 4h 10 g 0300.00 1500.00 0600.00 1 0.07213832e+02 0.03055228e+00 0.01249451e-04-0.09990274e-07 0.02881966e-10 2 -0.01392119e+05-0.07795098e+00-0.02162930e+02 0.05892512e+00 0.01447145e-03 3 -0.01168602e-05 0.08526654e-09 0.03561841e+04 0.04552626e+03 4 gaet3 62987ga 1c 6h 15 g 0300.00 1500.00 0600.00 1 0.08436453e+02 0.04804950e+00 0.02119157e-04-0.01581685e-06 0.04571178e-10 2 -0.01346996e+06-0.06196490e+02-0.06544289e+02 0.09332246e+00 0.02364121e-03 3 -0.01874104e-05 0.01367721e-08-0.01067659e+06 0.06666796e+03 4 gah 62987ga 1h 1 g 0300.00 1500.00 0600.00 1 0.03232142e+02 0.01343247e-01-0.04325499e-06-0.02791841e-08 0.04973590e-12 2 0.02656060e+06 0.05947896e+02 0.03524579e+02 0.03386213e-02-0.02064014e-05 3 0.03220999e-07-0.02936132e-10 0.02651074e+06 0.04554067e+02 4 gah2 62987ga 1h 2 g 0300.00 1500.00 0600.00 1 0.03762385e+02 0.03210792e-01 0.02180096e-06-0.08908393e-08 0.02219063e-11 2 0.01936647e+06 0.05783398e+02 0.03559710e+02 0.03676742e-01 0.06484499e-05 3 -0.03109349e-07 0.01585414e-10 0.01940976e+06 0.06803082e+02 4 gah3 62987ga 1h 3 g 0300.00 1500.00 0600.00 1 0.03345476e+02 0.06399313e-01 0.01122996e-05-0.02065900e-07 0.05780202e-11 2 0.01228185e+06 0.06394842e+02 0.01726154e+02 0.01124739e+00 0.02447527e-04 3 -0.02026314e-06 0.01447000e-09 0.01258620e+06 0.01428445e+03 4 game 62987ga 1c 1h 3 g 0300.00 1500.00 0600.00 1 0.04809857e+02 0.06824207e-01 0.02258235e-05-0.02018341e-07 0.05736453e-11 2 0.07558677e+05 0.02595904e+02 0.03054537e+02 0.01218640e+00 0.02332213e-04 3 -0.02121866e-06 0.01544226e-09 0.07885869e+05 0.01112878e+03 4 game2 62987ga 1c 2h 6 g 0300.00 1500.00 0600.00 1 0.07068373e+02 0.01421602e+00 0.05120694e-05-0.04421986e-07 0.01309641e-10 2 0.05453790e+05-0.04173960e+02 0.02257655e+02 0.02916446e+00 0.05669861e-04 3 -0.05709755e-06 0.04268905e-09 0.06341297e+05 0.01915435e+03 4 game3 62987ga 1c 3h 9 g 0300.00 1500.00 0600.00 1 0.08410636e+02 0.02262803e+00 0.01043019e-04-0.07049611e-07 0.02015308e-10 2 -0.09087271e+05-0.01072250e+03 0.02120239e+02 0.04161029e+00 0.09959505e-04 3 -0.07846792e-06 0.05693396e-09-0.07911968e+05 0.01988516e+03 4 h 120186h 1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.02547163e+06-0.04601176e+01 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.02547163e+06-0.04601176e+01 4 h(ch3)sich2 61991h 6c 2si 1 g 0300.00 2500.00 1500.00 1 0.01254527e+03 0.07143719e-01-0.01146987e-05-0.08100963e-08 0.01568740e-11 2 0.07723628e+05-0.04075435e+03 0.01206249e+02 0.03587271e+00-0.02971970e-03 3 0.01379675e-06-0.02695736e-10 0.01156328e+06 0.01956017e+03 4 h+ 120186h 1e -1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.01840334e+07-0.01153862e+02 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.01840334e+07-0.01153862e+02 4 h- 120186h 1e 1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.01596104e+06-0.01152449e+02 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.01596104e+06-0.01152449e+02 4 h2 121286h 2 g 0300.00 5000.00 1000.00 1 0.02991423e+02 0.07000644e-02-0.05633829e-06-0.09231578e-10 0.01582752e-13 2 -0.08350340e+04-0.01355110e+02 0.03298124e+02 0.08249442e-02-0.08143015e-05 3 -0.09475434e-09 0.04134872e-11-0.01012521e+05-0.03294094e+02 4 h2alme 62987al 1c 1h 5 g 0300.00 1500.00 0600.00 1 0.04898410e+02 0.01358223e+00 0.02611459e-05-0.04575170e-07 0.01384802e-10 2 0.08743072e+04-0.01113117e+02-0.06283259e+01 0.03089531e+00 0.05774090e-04 3 -0.06488033e-06 0.04907111e-09 0.01889334e+05 0.02565779e+03 4 h2asme 62987as 1c 1h 5 g 0300.00 1500.00 0600.00 1 0.05686213e+02 0.02154422e+00 0.08185248e-05-0.07069951e-07 0.02101522e-10 2 0.09331084e+05-0.06513957e+02-0.02113506e+02 0.04564229e+00 0.09983227e-04 3 -0.09399697e-06 0.07014021e-09 0.01077170e+06 0.03132611e+03 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 h2ccc 102093h 2c 3 g 0300.00 4000.00 1400.00 1 0.08266525e+02 0.02728619e-01-0.02160829e-05-0.01515161e-08 0.02641695e-12 2 0.07757192e+06-0.01864937e+03 0.04212193e+02 0.08954521e-01-0.01050721e-04 3 -0.02578513e-07 0.09722836e-11 0.07922349e+06 0.04134299e+02 4 h2ccc(s) 102093h 2c 3 g 0300.00 4000.00 1400.00 1 0.07904213e+02 0.02907464e-01-0.02219731e-05-0.01620844e-08 0.02796013e-12 2 0.06385167e+06-0.01810882e+03 0.03794178e+02 0.08761049e-01-0.07975878e-05 3 -0.02308045e-07 0.07911151e-11 0.06563580e+06 0.05264196e+02 4 h2ccccch 101993h 3c 5 g 0300.00 4000.00 1400.00 1 0.01440736e+03 0.04424058e-01-0.03618245e-05-0.02456408e-08 0.04327859e-12 2 0.05896103e+06-0.04775145e+03 0.07441421e+02 0.01585165e+00-0.02219895e-04 3 -0.04928038e-07 0.01984559e-10 0.06162266e+06-0.09047891e+02 4 h2cccch2 82489c 4h 4 g 0300.00 4000.00 1000.00 1 0.01062083e+03 0.07199370e-01-0.06806234e-05-0.04021185e-08 0.07378498e-12 2 0.03358798e+06-0.03193583e+03 0.03849007e+02 0.01713169e+00 0.01644270e-04 3 -0.07761590e-07 0.01947860e-10 0.03608372e+06 0.05732121e+02 4 h2ccch 82489c 3h 3 g 0300.00 4000.00 1000.00 1 0.08831047e+02 0.04357195e-01-0.04109067e-05-0.02368723e-08 0.04376520e-12 2 0.03847420e+06-0.02177919e+03 0.04754200e+02 0.01108028e+00 0.02793323e-05 3 -0.05479212e-07 0.01949629e-10 0.03988883e+06 0.05854549e+01 4 h2ccclo 53090c 2h 2o 1cl 1g 0300.00 5000.00 1500.00 1 0.01240462e+03 0.02067658e-01-0.03889952e-05-0.03138121e-10 0.04625008e-13 2 -0.01114503e+06-0.03928723e+03 0.01680422e+02 0.03020642e+00-0.03234256e-03 3 0.01779343e-06-0.03877221e-10-0.07395297e+05 0.01777265e+03 4 h2cch(sicl2h) 40992h 4c 2si 1cl 2g 0300.00 4000.00 1500.00 1 0.01680247e+03 0.04516342e-01-0.05794312e-05-0.01367868e-08 0.02833862e-12 2 -0.04037858e+06-0.05763375e+03 0.03640801e+02 0.03803764e+00-0.03641732e-03 3 0.01855101e-06-0.03834642e-10-0.03581475e+06 0.01252145e+03 4 h2cch2oh 103190c 2h 5o 1 g 0300.00 4000.00 1500.00 1 0.01144956e+03 0.05249185e-01-0.04887850e-05-0.02243250e-08 0.03973360e-12 2 -0.07554972e+05-0.03426083e+03 0.01304406e+02 0.02873214e+00-0.02387448e-03 3 0.01166988e-06-0.02450027e-10-0.03718933e+05 0.02078756e+03 4 h2ccho 103190c 2h 3o 1 g 0300.00 4000.00 1500.00 1 0.09710060e+02 0.03854966e-01-0.04677825e-05-0.01505179e-08 0.02941428e-12 2 -0.02692492e+05-0.02810566e+03 0.02802205e+01 0.02740311e+00-0.02554683e-03 3 0.01306679e-06-0.02750425e-10 0.06682648e+04 0.02239731e+03 4 h2cchsi 61991h 3c 2si 1 g 0300.00 2500.00 1500.00 1 0.09386889e+02 0.03941784e-01-0.01316150e-05-0.04081553e-08 0.07971026e-12 2 0.04528924e+06-0.02340680e+03 0.01645904e+02 0.02461474e+00-0.02252401e-03 3 0.01105892e-06-0.02209069e-10 0.04779814e+06 0.01738303e+03 4 h2cchsih 61991h 4c 2si 1 g 0300.00 2500.00 1500.00 1 0.01039415e+03 0.04987864e-01-0.01480904e-05-0.05650110e-08 0.01139073e-11 2 0.03263919e+06-0.02930385e+03 0.01989225e+02 0.02637566e+00-0.02197547e-03 3 0.09982490e-07-0.01893595e-10 0.03544082e+06 0.01531216e+03 4 h2cchsih2 61991h 5c 2si 1 g 0300.00 2500.00 1500.00 1 0.01289871e+03 0.05366252e-01-0.02345064e-05-0.05622057e-08 0.01143224e-11 2 0.02373919e+06-0.04346106e+03 0.04606628e+01 0.03824847e+00-0.03490747e-03 3 0.01656684e-06-0.03180820e-10 0.02773639e+06 0.02208512e+03 4 h2cchsih3 61991h 6c 2si 1 g 0300.00 2500.00 1500.00 1 0.01249653e+03 0.07666553e-01-0.02075339e-05-0.09569749e-08 0.01987112e-11 2 0.04799029e+05-0.04174850e+03 0.07686183e+01 0.03576322e+00-0.02634364e-03 3 0.01032868e-06-0.01717329e-10 0.08811836e+05 0.02100703e+03 4 h2clsich3 40992h 5c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01354344e+03 0.04577293e-01-0.04988032e-05-0.01758807e-08 0.03311232e-12 2 -0.03126783e+06-0.04541432e+03 0.02142669e+02 0.03103477e+00-0.02660368e-03 3 0.01286599e-06-0.02646554e-10-0.02699973e+06 0.01636317e+03 4 h2clsisicl3 40992h 2si 2cl 4 g 0300.00 4000.00 1500.00 1 0.01871701e+03 0.01924360e-01-0.04472779e-05 0.02003132e-09 0.03268818e-13 2 -0.08047111e+06-0.05817685e+03 0.08945602e+02 0.03068227e+00-0.03483212e-03 3 0.01910354e-06-0.04027623e-10-0.07751434e+06-0.07537633e+02 4 h2cn 41687h 2c 1n 1 g 0300.00 4000.00 1000.00 1 0.05209703e+02 0.02969291e-01-0.02855589e-05-0.01635550e-08 0.03043259e-12 2 0.02767711e+06-0.04444478e+02 0.02851661e+02 0.05695233e-01 0.01071140e-04 3 -0.01622612e-07-0.02351108e-11 0.02863782e+06 0.08992751e+02 4 h2cnch2 103190c 2h 4n 1 g 0300.00 4000.00 1500.00 1 0.01065385e+03 0.05191287e-01-0.05816522e-05-0.02206912e-08 0.04101341e-12 2 0.02345063e+06-0.03469895e+03-0.01203076e+01 0.03225369e+00-0.02968723e-03 3 0.01527290e-06-0.03242500e-10 0.02728820e+06 0.02297042e+03 4 h2cnch2o 103190c 2h 4n 1o 1g 0300.00 4000.00 1500.00 1 0.01327652e+03 0.04830938e-01-0.04858949e-05-0.02009495e-08 0.03640181e-12 2 0.01624962e+06-0.04713094e+03-0.01978522e+01 0.03341279e+00-0.02432022e-03 3 0.09438643e-07-0.01604050e-10 0.02141154e+06 0.02658265e+03 4 h2cncho 103190c 2h 3n 1o 1g 0300.00 4000.00 1500.00 1 0.01196792e+03 0.03915428e-01-0.03860933e-05-0.01696877e-08 0.03041050e-12 2 -0.05902236e+05-0.03958545e+03 0.01096066e+02 0.02577215e+00-0.01711630e-03 3 0.05880104e-07-0.08956774e-11-0.01612063e+05 0.02032528e+03 4 h2cnh 41687c 1h 3n 1 g 0300.00 4000.00 1000.00 1 0.05221589e+02 0.04748526e-01-0.04179159e-05-0.02606612e-08 0.04703140e-12 2 0.08657219e+05-0.04500776e+02 0.02365879e+02 0.06780570e-01 0.02423000e-04 3 -0.06157824e-08-0.01615097e-10 0.09971141e+05 0.01230718e+03 4 h2cnnho 103190c 1h 3n 2o 1g 0300.00 4000.00 1500.00 1 0.01157754e+03 0.04489180e-01-0.05033233e-05-0.01651066e-08 0.03069139e-12 2 0.01986783e+06-0.03656958e+03 0.05954945e+01 0.03239559e+00-0.02993966e-03 3 0.01489054e-06-0.03022863e-10 0.02364485e+06 0.02192790e+03 4 h2cnno 103190c 1h 2n 2o 1g 0300.00 4000.00 1500.00 1 0.01016234e+03 0.03065936e-01-0.03082820e-05-0.01194424e-08 0.02169867e-12 2 0.02494088e+06-0.02762275e+03 0.02498334e+02 0.01993009e+00-0.01557879e-03 3 0.06838956e-07-0.01313250e-10 0.02786476e+06 0.01417025e+03 4 h2cnno2 41687h 2c 1n 2o 2g 0300.00 4000.00 1000.00 1 0.01140794e+03 0.04564542e-01-0.04600304e-05-0.02513539e-08 0.04782211e-12 2 0.01242142e+06-0.03165238e+03 0.03534317e+02 0.01811272e+00 0.02394018e-05 3 -0.01080024e-06 0.04222725e-10 0.01509006e+06 0.01131138e+03 4 h2cno 103190c 1h 2n 1o 1g 0300.00 4000.00 1500.00 1 0.08485639e+02 0.02633277e-01-0.03017498e-05-0.08341916e-09 0.01593977e-12 2 0.01716434e+06-0.02052156e+03 0.01045856e+02 0.02126494e+00-0.01962754e-03 3 0.09659592e-07-0.01941069e-10 0.01974611e+06 0.01919718e+03 4 h2cno2 103190c 1h 2n 1o 2g 0300.00 4000.00 1500.00 1 0.01127481e+03 0.02584711e-01-0.03934331e-05-0.05614969e-09 0.01392400e-12 2 0.01360470e+06-0.03461951e+03 0.01165696e+02 0.02890490e+00-0.02817663e-03 3 0.01387569e-06-0.02727595e-10 0.01694546e+06 0.01888293e+03 4 h2cono 103190c 1h 2n 1o 2g 0300.00 4000.00 1500.00 1 0.01075754e+03 0.02983288e-01-0.04123564e-05-0.08096724e-09 0.01720195e-12 2 0.01230253e+06-0.02976009e+03 0.02120026e+02 0.02709056e+00-0.02799616e-03 3 0.01479145e-06-0.03074997e-10 0.01504327e+06 0.01546092e+03 4 h2gaet 62987ga 1c 2h 7 g 0300.00 1500.00 0600.00 1 0.07187273e+02 0.01867211e+00 0.06156157e-05-0.06027764e-07 0.01797524e-10 2 -0.04232757e+05-0.04686699e+02 0.04124020e+01 0.03972972e+00 0.07979140e-04 3 -0.08059234e-06 0.06040387e-09-0.02983932e+05 0.02816148e+03 4 h2game 62987ga 1c 1h 5 g 0300.00 1500.00 0600.00 1 0.05831604e+02 0.01222872e+00 0.03033669e-05-0.03956941e-07 0.01225452e-10 2 0.05189255e+05-0.04446614e+02 0.05251130e+01 0.02904695e+00 0.04844148e-04 3 -0.06097646e-06 0.04672763e-09 0.06158712e+05 0.02122149e+03 4 h2nf 42489h 2n 1f 1 g 0300.00 3000.00 1000.00 1 0.04143658e+02 0.03805135e-01-0.02771153e-05-0.03589717e-08 0.07589549e-12 2 -0.04891486e+05 0.02309362e+02 0.02597863e+02 0.05882104e-01 0.04938351e-05 3 -0.01948600e-07 0.03634003e-11-0.04301253e+05 0.01098289e+03 4 h2nno 103190h 2n 2o 1 g 0300.00 4000.00 1500.00 1 0.07759737e+02 0.03025701e-01-0.02888916e-05-0.01262990e-08 0.02195026e-12 2 0.05894193e+05-0.01647713e+03 0.02088916e+02 0.01684997e+00-0.01428977e-03 3 0.06830147e-07-0.01368985e-10 0.07907340e+05 0.01394381e+03 4 h2no 102290h 2n 1o 1 g 0300.00 4000.00 1500.00 1 0.05673346e+02 0.02298837e-01-0.01774446e-05-0.01103482e-08 0.01859762e-12 2 0.05569325e+05-0.06153540e+02 0.02530590e+02 0.08596035e-01-0.05471030e-04 3 0.02276249e-07-0.04648073e-11 0.06868030e+05 0.01126651e+03 4 h2noh 103190h 3n 1o 1 g 0300.00 4000.00 1500.00 1 0.06764633e+02 0.03047036e-01-0.02777798e-05-0.01250487e-08 0.02191094e-12 2 -0.09026701e+05-0.01269845e+03 0.01407003e+02 0.01658498e+00-0.01463594e-03 3 0.07318354e-07-0.01511897e-10-0.07158596e+05 0.01589649e+03 4 h2o 20387h 2o 1 g 0300.00 5000.00 1000.00 1 0.02672146e+02 0.03056293e-01-0.08730260e-05 0.01200996e-08-0.06391618e-13 2 -0.02989921e+06 0.06862817e+02 0.03386842e+02 0.03474982e-01-0.06354696e-04 3 0.06968581e-07-0.02506588e-10-0.03020811e+06 0.02590233e+02 4 h2o(l) 120186h 2o 1 l 0273.15 1000.00 1000.00 1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.00000000e+00 0.00000000e+00 0.01271278e+03-0.01766279e+00-0.02255666e-03 3 0.02082091e-05-0.02407861e-08-0.03748320e+06-0.05911535e+03 4 h2o(s) 120186h 2o 1 s 0200.00 0273.15 0273.15 1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.00000000e+00 0.00000000e+00-0.03926933e+00 0.01692042e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.03594958e+06 0.05693378e+01 4 h2o2 120186h 2o 2 g 0300.00 5000.00 1000.00 1 0.04573167e+02 0.04336136e-01-0.01474689e-04 0.02348904e-08-0.01431654e-12 2 -0.01800696e+06 0.05011370e+01 0.03388754e+02 0.06569226e-01-0.01485013e-05 3 -0.04625806e-07 0.02471515e-10-0.01766315e+06 0.06785363e+02 4 h2s 121286h 2s 1 g 0300.00 5000.00 1000.00 1 0.02883147e+02 0.03827835e-01-0.01423398e-04 0.02497999e-08-0.01660273e-12 2 -0.03480743e+05 0.07258162e+02 0.03071029e+02 0.05578261e-01-0.01030967e-03 3 0.01201953e-06-0.04838370e-10-0.03559826e+05 0.05935226e+02 4 h2si(ch3)2 61991h 8c 2si 1 g 0300.00 2500.00 1500.00 1 0.01362000e+03 0.01024457e+00-0.01528107e-05-0.01329179e-07 0.02717974e-11 2 -0.01781386e+06-0.04695844e+03 0.02005893e+02 0.03638380e+00-0.02273374e-03 3 0.07691266e-07-0.01156681e-10-0.01364280e+06 0.01583265e+03 4 h2si(ch3)ch2 61991h 7c 2si 1 g 0300.00 2500.00 1500.00 1 0.01388829e+03 0.07937538e-01-0.01559644e-05-0.09324826e-08 0.01847251e-11 2 0.06767195e+05-0.04464997e+03 0.01980449e+02 0.03727036e+00-0.02944759e-03 3 0.01312558e-06-0.02507859e-10 0.01087973e+06 0.01898102e+03 4 h2si(nh2)2 22790si 1h 6n 2 g 0300.00 4000.00 1000.00 1 0.01302179e+03 0.06465444e-01-0.05816746e-05-0.03484493e-08 0.06340675e-12 2 -0.02357071e+06-0.04132570e+03 0.05615307e+02 0.02079854e+00-0.09999530e-05 3 -0.01288525e-06 0.06091866e-10-0.02126283e+06-0.01615658e+02 4 h2sic 61991h 2c 1si 1 g 0300.00 2500.00 1500.00 1 0.07319671e+02 0.01729952e-01-0.01346466e-05-0.01450487e-08 0.03000643e-12 2 0.08125478e+06-0.01320432e+03 0.02408167e+02 0.01437372e+00-0.01331203e-03 3 0.06387472e-07-0.01244523e-10 0.08289031e+06 0.01283748e+03 4 h2sicch 61991h 3c 2si 1 g 0300.00 2500.00 1500.00 1 0.01091422e+03 0.03001577e-01-0.01622344e-05-0.02466767e-08 0.04595260e-12 2 0.04137118e+06-0.03153165e+03 0.02952641e+02 0.02407857e+00-0.02313898e-03 3 0.01172227e-06-0.02393835e-10 0.04400800e+06 0.01054929e+03 4 h2sich 61991h 3c 1si 1 g 0300.00 2500.00 1500.00 1 0.08489276e+02 0.02348812e-01-0.01091163e-05-0.02027972e-08 0.03759264e-12 2 0.04973382e+06-0.01845097e+03 0.03442743e+02 0.01542521e+00-0.01429096e-03 3 0.07252204e-07-0.01507009e-10 0.05145786e+06 0.08363421e+02 4 h2sich2 61991h 4c 1si 1 g 0300.00 2500.00 1500.00 1 0.09303939e+02 0.04006038e-01-0.09702324e-06-0.03997739e-08 0.07350215e-12 2 0.01649066e+06-0.02623845e+03 0.01049782e+02 0.02562277e+00-0.02324392e-03 3 0.01142315e-06-0.02295441e-10 0.01922778e+06 0.01743860e+03 4 h2sich3 61991h 5c 1si 1 g 0300.00 2500.00 1500.00 1 0.08991115e+02 0.06006339e-01-0.01118591e-05-0.07745983e-08 0.01594429e-11 2 0.01270233e+06-0.02218700e+03 0.02094419e+02 0.02127010e+00-0.01294390e-03 3 0.04156964e-07-0.05854213e-11 0.01520143e+06 0.01518517e+03 4 h2sin 22790h 2si 1n 1 g 0300.00 4000.00 1000.00 1 0.06826533e+02 0.02125460e-01-0.02343132e-05-0.01166339e-08 0.02277273e-12 2 0.07253673e+06-0.01052162e+03 0.03549344e+02 0.07311005e-01 0.03249026e-05 3 -0.03682945e-07 0.01121511e-10 0.07370656e+06 0.07565329e+02 4 h2sinh 42489si 1n 1h 3 g 0300.00 3000.00 1000.00 1 0.06588295e+02 0.04903194e-01-0.04944720e-05-0.05014630e-08 0.01139470e-11 2 0.01809794e+06-0.09522970e+02 0.02822196e+02 0.01245518e+00-0.08350819e-05 3 -0.07411814e-07 0.03579019e-10 0.01923616e+06 0.01054783e+03 4 h2sinh2 42489si 1n 1h 4 g 0300.00 3000.00 1000.00 1 0.07392047e+02 0.05476841e-01-0.04453276e-05-0.05236661e-08 0.01138390e-11 2 0.01136858e+06-0.01138050e+03 0.04053223e+02 0.01182231e+00-0.04348128e-05 3 -0.06225818e-07 0.02798829e-10 0.01241971e+06 0.06562033e+02 4 h2sinh3 121386si 1h 5n 1 g 0300.00 4000.00 1000.00 1 0.08711392e+02 0.05909106e-01-0.05436615e-05-0.03248350e-08 0.05960257e-12 2 0.08441694e+05-0.01933470e+03 0.04269730e+02 0.01125224e+00 0.01951722e-04 3 -0.03578373e-07-0.08372202e-12 0.01022204e+06 0.05876736e+02 4 h2sisih2 42489si 2h 4 g 0300.00 3000.00 1000.00 1 0.08986817e+02 0.05405047e-01-0.05214022e-05-0.05313742e-08 0.01188727e-11 2 0.02832748e+06-0.02004478e+03 0.05133186e+02 0.01252855e+00-0.04620421e-05 3 -0.06606075e-07 0.02864345e-10 0.02956915e+06 0.07605133e+01 4 h3asgaet3 62987as 1ga 1c 6h 18g 0300.00 1500.00 0600.00 1 0.08508501e+02 0.05632369e+00 0.02524140e-04-0.01861451e-06 0.05372403e-10 2 -0.01085517e+06-0.03399858e+02-0.08974745e+02 0.01090516e+01 0.02811457e-03 3 -0.02195513e-05 0.01599734e-08-0.07592761e+05 0.08165459e+03 4 h3asgame3 62987as 1ga 1c 3h 12g 0300.00 1500.00 0600.00 1 0.01125499e+03 0.03159753e+00 0.01177904e-04-0.01013352e-06 0.02947356e-10 2 -0.07280344e+05-0.02238730e+03 0.01267161e+02 0.06214586e+00 0.01385631e-03 3 -0.01220044e-05 0.08982019e-09-0.05425619e+05 0.02613306e+03 4 h3conho 103190c 1h 4n 1o 2g 0300.00 4000.00 1500.00 1 0.01249270e+03 0.04773900e-01-0.04717255e-05-0.01987935e-08 0.03599460e-12 2 -0.02354754e+05-0.03945442e+03 0.01930733e+02 0.02865910e+00-0.02313063e-03 3 0.01068402e-06-0.02139376e-10 0.01638891e+05 0.01796108e+03 4 h3sic 61991h 3c 1si 1 g 0300.00 2500.00 1500.00 1 0.08536022e+02 0.02944748e-01-0.01752614e-05-0.03061316e-08 0.06463710e-12 2 0.07066730e+06-0.02041360e+03 0.01037017e+02 0.02192253e+00-0.01926062e-03 3 0.08725014e-07-0.01615505e-10 0.07315849e+06 0.01939904e+03 4 h3sicch 61991h 4c 2si 1 g 0300.00 2500.00 1500.00 1 0.01193845e+03 0.04298239e-01-0.01882154e-05-0.04212272e-08 0.08245783e-12 2 0.02161639e+06-0.03978125e+03 0.01692389e+02 0.03078862e+00-0.02808630e-03 3 0.01359918e-06-0.02690423e-10 0.02503587e+06 0.01453670e+03 4 h3sich 61991h 4c 1si 1 g 0300.00 2500.00 1500.00 1 0.09747808e+02 0.03532863e-01-0.01540271e-05-0.03539077e-08 0.06992248e-12 2 0.04253036e+06-0.02504347e+03 0.01710027e+02 0.02413212e+00-0.02164005e-03 3 0.01035470e-06-0.02035579e-10 0.04522928e+06 0.01762908e+03 4 h3sich2 61991h 5c 1si 1 g 0300.00 2500.00 1500.00 1 0.01050164e+03 0.04907525e-01-0.01523178e-05-0.05436598e-08 0.01082455e-11 2 0.01632252e+06-0.02911264e+03 0.01199673e+02 0.02828259e+00-0.02394311e-03 3 0.01103518e-06-0.02125819e-10 0.01948167e+06 0.02041804e+03 4 h3sich3 61991h 6c 1si 1 g 0300.00 2500.00 1500.00 1 0.01022214e+03 0.07221275e-01-0.01482544e-05-0.09419140e-08 0.01956175e-11 2 -0.08301660e+05-0.03163487e+03 0.01240228e+02 0.02729962e+00-0.01707597e-03 3 0.05502474e-07-0.07521465e-11-0.05090007e+05 0.01692759e+03 4 h3sin 22790h 3si 1n 1 g 0300.00 4000.00 1000.00 1 0.07964213e+02 0.03355633e-01-0.03579695e-05-0.01889818e-08 0.03650912e-12 2 0.01148697e+07-0.01924110e+03 0.02790629e+02 0.01134566e+00 0.08321879e-05 3 -0.05845045e-07 0.01685969e-10 0.01167357e+07 0.09384630e+02 4 h3sinh 42489si 1n 1h 4 g 0300.00 3000.00 1000.00 1 0.07697340e+02 0.05657943e-01-0.05209306e-05-0.05617966e-08 0.01263502e-11 2 0.02282005e+06-0.01330379e+03 0.02778390e+02 0.01510711e+00-0.06734261e-05 3 -0.08928515e-07 0.04115347e-10 0.02435913e+06 0.01309386e+03 4 h3sisih 111191h 4si 2 g 0300.00 4000.00 1500.00 1 0.01127202e+03 0.02538145e-01-0.02998472e-05-0.09465367e-09 0.01855053e-12 2 0.03297169e+06-0.03264598e+03 0.03698707e+02 0.01870180e+00-0.01430704e-03 3 0.06005836e-07-0.01116293e-10 0.03590825e+06 0.08825191e+02 4 h3sisih3 42489si 2h 6 g 0300.00 3000.00 1000.00 1 0.01068273e+03 0.08221416e-01-0.08096035e-05-0.08337975e-08 0.01908205e-11 2 0.05316920e+05-0.03082188e+03 0.03898290e+02 0.01977415e+00 0.01791014e-05 3 -0.01033168e-06 0.03931699e-10 0.07621719e+05 0.06227022e+02 4 halme 62987al 1c 1h 4 g 0300.00 1500.00 0600.00 1 0.04812273e+02 0.01029645e+00 0.02582808e-05-0.03323597e-07 0.09884584e-11 2 0.01176673e+06 0.09557062e+01 0.01118789e+02 0.02180038e+00 0.04120785e-04 3 -0.04366690e-06 0.03273825e-09 0.01244736e+06 0.01886107e+03 4 halme2 62987al 1c 2h 7 g 0300.00 1500.00 0600.00 1 0.05705172e+02 0.01924317e+00 0.06377855e-05-0.06346800e-07 0.01896800e-10 2 -0.06049865e+05-0.06331378e+01-0.01494261e+02 0.04158568e+00 0.08686772e-04 3 -0.08604142e-06 0.06447653e-09-0.04722517e+05 0.03427725e+03 4 hasalme 62987as 1al 1c 1h 4g 0300.00 1500.00 0600.00 1 0.06956539e+02 0.01061278e+00 0.02440154e-05-0.03297737e-07 0.01020004e-10 2 0.02582506e+06-0.08625792e+01 0.02544859e+02 0.02465795e+00 0.03677808e-04 3 -0.05008894e-06 0.03848384e-09 0.02663010e+06 0.02046859e+03 4 hasgaet 62987as 1ga 1c 2h 6g 0300.00 1500.00 0600.00 1 0.06336445e+02 0.02340603e+00 0.09066638e-05-0.07519059e-07 0.01828115e-10 2 0.03184605e+06 0.05812180e+02 0.05642724e+02 0.02296739e+00 0.01094867e-03 3 -0.02449038e-06 0.09602701e-10 0.03204718e+06 0.09675533e+02 4 hasgame 62987as 1ga 1c 1h 4g 0300.00 1500.00 0600.00 1 0.07507970e+02 0.09277900e-01 0.01891932e-05-0.02769887e-07 0.07996070e-11 2 0.03253908e+06-0.01422608e+02 0.04859127e+02 0.01750423e+00 0.02831996e-04 3 -0.03107937e-06 0.02299468e-09 0.03302941e+06 0.01142952e+03 4 hasme 62987as 1c 1h 4 g 0300.00 1500.00 0600.00 1 0.05753261e+02 0.01841813e+00 0.07493313e-05-0.05919917e-07 0.01726247e-10 2 0.01880057e+06-0.05360325e+02-0.01575095e+01 0.03649094e+00 0.08332940e-04 3 -0.07234666e-06 0.05330928e-09 0.01989792e+06 0.02335316e+03 4 hasme2 62987as 1c 2h 7 g 0300.00 1500.00 0600.00 1 0.05850437e+02 0.01841766e+00 0.08066845e-05-0.05868715e-07 0.01726428e-10 2 0.06450535e+05 0.03909152e+01-0.02908405e+01 0.03729577e+00 0.08335855e-04 3 -0.07455611e-06 0.05527881e-09 0.07587766e+05 0.03020451e+03 4 hccchcch h 3c 5 g 0300.00 4000.00 1384.00 1 1.26570907e 01 8.02394926e-03-2.78792882e-06 4.37303159e-10-2.55500155e-14 2 6.15294797e 04-3.88010590e 01 6.72034852e 00 2.46522386e-02-2.22400884e-05 3 1.11793173e-08-2.28620268e-12 6.34525375e 04-7.66462218e 00 4 hcccl 40992h 1c 2cl 1 g 0300.00 4000.00 1500.00 1 0.07743241e+02 0.01618655e-01-0.02465935e-05-0.02909336e-09 0.07522752e-13 2 0.02472494e+06-0.01686593e+03 0.02969338e+02 0.01583152e+00-0.01787078e-03 3 0.01017728e-06-0.02231985e-10 0.02620733e+06 0.07906791e+02 4 hcchcch 82489c 4h 3 g 0300.00 4000.00 1000.00 1 0.01075274e+03 0.05381153e-01-0.05549638e-05-0.03052266e-08 0.05761740e-12 2 0.06121419e+06-0.02973025e+03 0.04153882e+02 0.01726287e+00-0.02389374e-05 3 -0.01018700e-06 0.04340505e-10 0.06338071e+06 0.06036507e+02 4 hcco 32387h 1c 2o 1 g 0300.00 4000.00 1000.00 1 0.06758073e+02 0.02000400e-01-0.02027607e-05-0.01041132e-08 0.01965165e-12 2 0.01901513e+06-0.09071262e+02 0.05047965e+02 0.04453478e-01 0.02268283e-05 3 -0.01482095e-07 0.02250742e-11 0.01965892e+06 0.04818439e+01 4 hccoh 32387h 2c 2o 1 g 0300.00 4000.00 1000.00 1 0.07328324e+02 0.03336416e-01-0.03024705e-05-0.01781106e-08 0.03245168e-12 2 0.07598258e+05-0.01401214e+03 0.03899465e+02 0.09701075e-01-0.03119309e-05 3 -0.05537732e-07 0.02465732e-10 0.08701190e+05 0.04491875e+02 4 hccsicl2h 40992h 2c 2si 1cl 2g 0300.00 4000.00 1500.00 1 0.01480501e+03 0.02600965e-01-0.04631204e-05-0.02401379e-09 0.09812397e-13 2 -0.02163059e+06-0.04610236e+03 0.04846840e+02 0.03181717e+00-0.03572068e-03 3 0.01983339e-06-0.04248036e-10-0.01856223e+06 0.05613645e+02 4 hcl 42189cl 1h 1 g 0300.00 5000.00 1000.00 1 0.02755335e+02 0.01473581e-01-0.04971254e-05 0.08108658e-09-0.05072063e-13 2 -0.01191806e+06 0.06515116e+02 0.03338534e+02 0.01268207e-01-0.03666917e-04 3 0.04703992e-07-0.01836011e-10-0.01213151e+06 0.03193555e+02 4 hcl2sich3 40992h 4c 1si 1cl 2g 0300.00 4000.00 1500.00 1 0.01459366e+03 0.04006211e-01-0.04818700e-05-0.01336338e-08 0.02648821e-12 2 -0.05346984e+06-0.04689795e+03 0.04155299e+02 0.02995026e+00-0.02799546e-03 3 0.01433046e-06-0.03013208e-10-0.04973616e+06 0.09051815e+02 4 hcl2sisicl2h 40992h 2si 2cl 4 g 0300.00 4000.00 1500.00 1 0.01863092e+03 0.01991871e-01-0.04703153e-05 0.02393378e-09 0.02997096e-13 2 -0.07983306e+06-0.05812192e+03 0.08215700e+02 0.03290751e+00-0.03764294e-03 3 0.02071053e-06-0.04369767e-10-0.07671145e+06-0.04245506e+02 4 hclccclo 40992h 1c 2 o 1cl 2g 0300.00 4000.00 1500.00 1 0.01282877e+03 0.02295631e-01-0.04601887e-05-0.02941710e-09 0.01148412e-12 2 -0.01481358e+06-0.03708152e+03 0.03082763e+02 0.03013466e+00-0.03298082e-03 3 0.01776354e-06-0.03720337e-10-0.01177928e+06 0.01372635e+03 4 hclccho 53090c 2h 2o 1cl 1g 0300.00 5000.00 1500.00 1 0.01228193e+03 0.02136310e-01-0.03756942e-05-0.01347374e-09 0.05834907e-13 2 -0.08447210e+05-0.03860056e+03 0.01544662e+02 0.02882431e+00-0.02921314e-03 3 0.01557811e-06-0.03358528e-10-0.04546644e+05 0.01905110e+03 4 hclsi(ch3)2 40992h 7c 2si 1cl 1g 0300.00 4000.00 1500.00 1 0.01779932e+03 0.06864497e-01-0.06677913e-05-0.02916791e-08 0.05251096e-12 2 -0.04235416e+06-0.06627844e+03 0.03428693e+02 0.03880542e+00-0.03118298e-03 3 0.01483918e-06-0.03097758e-10-0.03676770e+06 0.01220014e+03 4 hclsi(ch3)ch2 40992h 6c 2si 1cl 1g 0300.00 4000.00 1500.00 1 0.01684996e+03 0.05769153e-01-0.06362653e-05-0.02117805e-08 0.04004912e-12 2 -0.01692029e+06-0.05821970e+03 0.03518672e+02 0.03868692e+00-0.03578989e-03 3 0.01856940e-06-0.03976975e-10-0.01207708e+06 0.01340137e+03 4 hclsich2 40992h 3c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01094639e+03 0.03063482e-01-0.04057563e-05-0.07933510e-09 0.01649546e-12 2 -0.03161099e+05-0.03101113e+03 0.02331473e+02 0.02712338e+00-0.02843577e-03 3 0.01542443e-06-0.03288710e-10-0.03745104e+04 0.01417701e+03 4 hclsich3 40992h 4c 1si 1cl 1g 0300.00 4000.00 1500.00 1 0.01183446e+03 0.03802168e-01-0.04054360e-05-0.01478932e-08 0.02756845e-12 2 -0.09669808e+05-0.03413556e+03 0.03061496e+02 0.02418432e+00-0.02072566e-03 3 0.01016711e-06-0.02124115e-10-0.06367089e+05 0.01342892e+03 4 hclsisi 40992h 1si 2cl 1 g 0300.00 4000.00 1500.00 1 0.08766356e+02 0.08352699e-02-0.01828719e-05 0.04227080e-10 0.01924493e-13 2 0.03066829e+06-0.01515527e+03 0.05006777e+02 0.01170423e+00-0.01308663e-03 3 0.07173085e-07-0.01520111e-10 0.03183531e+06 0.04414009e+02 4 hcn 110193h 1c 1n 1 g 0300.00 4000.00 1000.00 1 0.03426457e+02 0.03924190e-01-0.01601138e-04 0.03161966e-08-0.02432850e-12 2 0.01485552e+06 0.03607795e+02 0.02417787e+02 0.09031856e-01-0.01107727e-03 3 0.07980141e-07-0.02311141e-10 0.01501044e+06 0.08222891e+02 4 hcnh 41687c 1h 2n 1 g 0300.00 4000.00 1000.00 1 0.04923293e+02 0.03332897e-01-0.03370897e-05-0.01901619e-08 0.03531825e-12 2 0.03132669e+06-0.01632509e+02 0.02759456e+02 0.06103387e-01 0.07713149e-05 3 -0.02063094e-07 0.01931920e-11 0.03217247e+06 0.01057489e+03 4 hcno 120186h 1c 1n 1o 1g 0250.00 4000.00 1000.00 1 0.06692412e+02 0.02368360e-01-0.02371510e-05-0.01275503e-08 0.02407137e-12 2 0.01694737e+06-0.01245434e+03 0.03184859e+02 0.09752316e-01-0.01280203e-04 3 -0.06163104e-07 0.03226275e-10 0.01797907e+06 0.06123844e+02 4 hco 121286h 1c 1o 1 g 0300.00 5000.00 1000.00 1 0.03557271e+02 0.03345573e-01-0.01335006e-04 0.02470573e-08-0.01713851e-12 2 0.03916324e+05 0.05552299e+02 0.02898330e+02 0.06199147e-01-0.09623084e-04 3 0.01089825e-06-0.04574885e-10 0.04159922e+05 0.08983614e+02 4 hco+ 121286h 1c 1o 1e -1g 0300.00 5000.00 1000.00 1 0.03692074e+02 0.03454732e-01-0.01316524e-04 0.02323551e-08-0.01554132e-12 2 0.09890941e+06 0.02330722e+02 0.02496483e+02 0.08690658e-01-0.01060445e-03 3 0.07882791e-07-0.02418385e-10 0.09915097e+06 0.08048178e+02 4 hcooh 103190c 1h 2o 2 g 0300.00 4000.00 1500.00 1 0.07959698e+02 0.03024532e-01-0.03434242e-05-0.01326767e-08 0.02520240e-12 2 -0.05027445e+06-0.01872208e+03 0.09326031e+01 0.01891002e+00-0.01554964e-03 3 0.07290031e-07-0.01483695e-10-0.04760071e+06 0.01950653e+03 4 he 120186he 1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.07453750e+04 0.09153489e+01 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.07453750e+04 0.09153488e+01 4 he+ 120186he 1e -1 g 0300.00 5000.00 1000.00 1 0.02500000e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.02853427e+07 0.01608405e+02 0.02500000e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.02853427e+07 0.01608405e+02 4 hf 121286h 1f 1 g 0300.00 5000.00 1000.00 1 0.02956767e+02 0.07721015e-02-0.09899833e-06-0.04993521e-10 0.01429331e-13 2 -0.03361061e+06 0.04011673e+02 0.03431841e+02 0.04404166e-02-0.08828452e-05 3 0.06574516e-08-0.02055910e-12-0.03381977e+06 0.01238270e+02 4 hg2br2(s) 81292br 2hg 2 s 0300.00 1500.00 1000.00 1 0.01131527e+03 0.05176237e-01-0.09149018e-05-0.01774353e-07 0.08208311e-11 2 -0.02812664e+06-0.03960847e+03 0.09176256e+02 0.01716637e+00-0.02379101e-03 3 0.01656353e-06-0.04492058e-10-0.02787921e+06-0.03016915e+03 4 hg2cl2(s) 81292cl 2hg 2 s 0300.00 1500.00 1000.00 1 0.01170237e+03 0.03242224e-01-0.01018772e-05-0.03745899e-08 0.04682208e-12 2 -0.03555571e+06-0.04461773e+03 0.01002375e+03 0.01031694e+00-0.01160577e-03 3 0.08123549e-07-0.02343515e-10-0.03522627e+06-0.03658009e+03 4 hg2f2(s) 81292f 2hg 2 s 0300.00 1500.00 1000.00 1 0.01156086e+03 0.03513290e-01-0.04228193e-06-0.06265655e-08 0.01191005e-11 2 -0.06207291e+06-0.04780613e+03 0.01035013e+03 0.06139501e-01-0.03674693e-05 3 -0.03011902e-07 0.01414143e-10-0.06172955e+06-0.04143495e+03 4 hg2i2(s) 81292hg 2i 2 s 0300.00 1500.00 1000.00 1 0.01104021e+03 0.05724188e-01-0.09515335e-05-0.02149612e-07 0.09793057e-11 2 -0.01777374e+06-0.03535439e+03 0.09788829e+02 0.01440390e+00-0.01844748e-03 3 0.01180869e-06-0.02911372e-10-0.01774167e+06-0.03032197e+03 4 hgaet 62987ga 1c 2h 6 g 0300.00 1500.00 0600.00 1 0.06580152e+02 0.01610132e+00 0.05009546e-05-0.05185148e-07 0.01524085e-10 2 0.08765131e+05-0.04046067e+01 0.01163284e+02 0.03282213e+00 0.06765717e-04 3 -0.06509541e-06 0.04835807e-09 0.09767174e+05 0.02588269e+03 4 hgaet2 62987ga 1c 4h 11 g 0300.00 1500.00 0600.00 1 0.06511306e+02 0.02819754e+00 0.01418751e-04-0.09000947e-07 0.02572894e-10 2 -0.04482180e+05 0.04709022e+02-0.01486576e+02 0.05217640e+00 0.01356342e-03 3 -0.01011982e-05 0.07319854e-09-0.02985242e+05 0.04364749e+03 4 hgame 62987ga 1c 1h 4 g 0300.00 1500.00 0600.00 1 0.05318279e+02 0.09490931e-01 0.02277164e-05-0.03005070e-07 0.09037830e-11 2 0.01253534e+06-0.01065710e+01 0.01784750e+02 0.02058861e+00 0.03548509e-04 3 -0.04111927e-06 0.03108978e-09 0.01318422e+06 0.01700702e+03 4 hgame2 62987ga 1c 2h 7 g 0300.00 1500.00 0600.00 1 0.06759398e+02 0.01426103e+00-0.01174024e-05-0.05001401e-07 0.01502785e-10 2 -0.01473265e+05-0.02967135e+02 0.09039155e+01 0.03264779e+00 0.05389244e-04 3 -0.06814504e-06 0.05150323e-09-0.03978242e+04 0.02539305e+03 4 hgbr 81292br 1hg 1 g 0300.00 5000.00 1000.00 1 0.04470182e+02 0.01740022e-02-0.01782286e-06 0.03639776e-10-0.02699461e-14 2 0.01118634e+06 0.07116504e+02 0.04325519e+02 0.06429246e-02-0.04527797e-05 3 0.04543436e-09 0.06863204e-12 0.01121730e+06 0.07833202e+02 4 hgcl2 81292cl 2hg 1 g 0300.00 5000.00 1000.00 1 0.07251462e+02 0.03082143e-02-0.01447555e-05 0.02958294e-09-0.02201214e-13 2 -0.01981231e+06-0.06061846e+02 0.06249130e+02 0.03221573e-01-0.02109668e-04 3 -0.07713536e-08 0.08526178e-11-0.01958242e+06-0.01015613e+02 4 hgcl2(s) 81292cl 2hg 1 s 0300.00 1500.00 1000.00 1 0.07750329e+02 0.03529253e-01 0.03886646e-06-0.08307839e-08 0.02781535e-11 2 -0.03009787e+06-0.02772331e+03 0.07611778e+02 0.05084911e-01-0.02887606e-04 3 0.09093899e-08 0.04734468e-12-0.03015054e+06-0.02738100e+03 4 hgf2 81292f 2hg 1 g 0300.00 5000.00 1000.00 1 0.06970407e+02 0.06373497e-02-0.02938029e-05 0.05925826e-09-0.04366956e-13 2 -0.03751535e+06-0.08137829e+02 0.05155538e+02 0.05733727e-01-0.03667157e-04 3 -0.01223692e-07 0.01370429e-10-0.03707844e+06 0.01073098e+02 4 hgf2(s) 81292f 2hg 1 s 0300.00 2000.00 1000.00 1 0.08322627e+02 0.02317361e-01 0.02103511e-05-0.09665973e-09 0.01631405e-12 2 -0.05342179e+06-0.03414006e+03 0.08250103e+02 0.02543387e-01-0.07218619e-06 3 0.08044224e-09-0.03175138e-12-0.05340276e+06-0.03377085e+03 4 hgh 81292h 1hg 1 g 0300.00 5000.00 1000.00 1 0.03674353e+02 0.01116618e-01-0.03728888e-05 0.07077644e-09-0.04984356e-13 2 0.02745200e+06 0.04954799e+02 0.02859969e+02 0.03217363e-01-0.02993410e-04 3 0.02267118e-07-0.08671660e-11 0.02771287e+06 0.09273314e+02 4 hgi 81292hg 1i 1 g 0300.00 5000.00 1000.00 1 0.04487935e+02 0.03041356e-02-0.07219846e-07 0.01468881e-10-0.01089820e-14 2 0.01470042e+06 0.08086309e+02 0.04411734e+02 0.05799910e-02-0.03475217e-05 3 0.01593090e-08-0.01730073e-12 0.01471610e+06 0.08458668e+02 4 hgo 81292hg 1o 1 g 0300.00 5000.00 1000.00 1 0.04192036e+02 0.04176084e-02-0.01658976e-05 0.03318185e-09-0.02429647e-13 2 0.03713110e+05 0.04621457e+02 0.03235991e+02 0.03067171e-01-0.01992628e-04 3 -0.04378690e-08 0.06018341e-11 0.03950193e+05 0.09495331e+02 4 hgo(s) 81292hg 1o 1 s 0300.00 1000.00 1000.00 1 0.07146808e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01350616e+06-0.03327734e+03 0.02854835e+02 0.01115052e+00-0.01160794e-03 3 0.06126729e-07-0.01377341e-10-0.01217635e+06-0.01067390e+03 4 hmegaet 62987ga 1c 3h 9 g 0300.00 1500.00 0600.00 1 0.07025463e+02 0.02564787e+00 0.09619100e-05-0.08403699e-07 0.02488960e-10 2 -0.01361377e+05-0.03319484e+02-0.02079143e+02 0.05373076e+00 0.01181036e-03 3 -0.01099855e-05 0.08189554e-09 0.03216961e+04 0.04086070e+03 4 hn(oh)2 103190h 3n 1o 2 g 0300.00 4000.00 1500.00 1 0.09963640e+02 0.02864737e-01-0.03812930e-05-0.07443356e-09 0.01610124e-12 2 -0.01662184e+06-0.02871770e+03 0.03244199e+01 0.02850544e+00-0.02753934e-03 3 0.01337294e-06-0.02571777e-10-0.01354499e+06 0.02201480e+03 4 hn3 82687h 1n 3 g 0300.00 4000.00 1000.00 1 0.06023015e+02 0.02454362e-01-0.02404279e-05-0.01322973e-08 0.02474146e-12 2 0.03394051e+06-0.07015537e+02 0.03621003e+02 0.06030785e-01 0.04054460e-05 3 -0.02545271e-07 0.06174280e-11 0.03482373e+06 0.06333769e+02 4 hnc 92392h 1c 1n 1 g 0300.00 5000.00 1500.00 1 0.05283464e+02 0.01092476e-01-0.01170865e-05-0.02308672e-09 0.03950673e-13 2 0.02012958e+06-0.06388218e+02 0.03592377e+02 0.05561340e-01-0.05936823e-04 3 0.03782329e-07-0.09365092e-11 0.02079803e+06 0.02732160e+02 4 hncn 62790c 1h 1n 2 g 0300.00 4000.00 1500.00 1 0.07251951e+02 0.01587363e-01-0.01995579e-05-0.04841944e-09 0.09908280e-13 2 0.03563666e+06-0.01312080e+03 0.02951908e+02 0.01245028e+00-0.01161611e-03 3 0.05786108e-07-0.01175004e-10 0.03712483e+06 0.09811426e+02 4 hncnh 62790c 1h 2n 2 g 0300.00 4000.00 1500.00 1 0.08374143e+02 0.02366143e-01-0.03502324e-05-0.04391102e-09 0.01096859e-12 2 0.01461088e+06-0.02107393e+03 0.01001985e+02 0.02464016e+00-0.02759770e-03 3 0.01532472e-06-0.03268280e-10 0.01679368e+06 0.01694325e+03 4 hnco 110193h 1c 1n 1o 1g 0300.00 4000.00 1400.00 1 0.06545307e+02 0.01965760e-01-0.01562664e-05-0.01074318e-08 0.01874680e-12 2 -0.01664773e+06-0.01003880e+03 0.03858467e+02 0.06390342e-01-0.09016628e-05 3 -0.01898224e-07 0.07651380e-11-0.01562343e+06 0.04882493e+02 4 hnf 42489h 1n 1f 1 g 0300.00 3000.00 1000.00 1 0.04133219e+02 0.01912057e-01-0.01625330e-05-0.01726461e-08 0.03743691e-12 2 0.01467052e+06 0.03292122e+02 0.03249761e+02 0.03261818e-01 0.04355642e-06 3 -0.01100277e-07 0.02926757e-11 0.01499126e+06 0.08187434e+02 4 hnf2 42489h 1n 1f 2 g 0300.00 3000.00 1000.00 1 0.05704866e+02 0.03049897e-01-0.02826803e-05-0.02923185e-08 0.06551055e-12 2 -0.09107488e+05-0.03941332e+02 0.02572812e+02 0.08762144e-01-0.02326921e-05 3 -0.05000826e-07 0.02143838e-10-0.08086760e+05 0.01300681e+03 4 hnnho 103190h 2n 2o 1 g 0300.00 4000.00 1500.00 1 0.07462348e+02 0.03113521e-01-0.02614534e-05-0.01394601e-08 0.02363352e-12 2 0.07517607e+05-0.01619293e+03 0.07974964e+01 0.01693171e+00-0.01141086e-03 3 0.04201242e-07-0.06926417e-11 0.01010665e+06 0.02038765e+03 4 hnno 103190h 1n 2o 1 g 0300.00 4000.00 1500.00 1 0.06991217e+02 0.01875970e-01-0.02124584e-05-0.06710472e-09 0.01230508e-12 2 0.02497566e+06-0.01123523e+03 0.02238298e+02 0.01359200e+00-0.01179873e-03 3 0.05392971e-07-0.01010859e-10 0.02660259e+06 0.01413679e+03 4 hnnono 10891h 1n 3o 2 g 0300.00 4000.00 1500.00 1 0.01246747e+03 0.02018438e-01-0.03674474e-05-0.03459117e-09 0.01090810e-12 2 0.02452278e+06-0.03868309e+03 0.02642670e+02 0.02625418e+00-0.02477878e-03 3 0.01184374e-06-0.02298757e-10 0.02793182e+06 0.01383705e+03 4 hno 121286h 1n 1o 1 g 0300.00 5000.00 1000.00 1 0.03615144e+02 0.03212486e-01-0.01260337e-04 0.02267298e-08-0.01536236e-12 2 0.01066191e+06 0.04810264e+02 0.02784403e+02 0.06609646e-01-0.09300223e-04 3 0.09437980e-07-0.03753146e-10 0.01091878e+06 0.09035629e+02 4 hno2 103190h 1n 1o 2 g 0300.00 4000.00 1500.00 1 0.06479630e+02 0.01995274e-01-0.01740387e-05-0.09695872e-09 0.01701480e-12 2 -0.09999271e+05-0.01067286e+03 0.01934838e+02 0.01010036e+00-0.04964616e-04 3 0.08701120e-08-0.02324135e-13-0.08105484e+05 0.01473250e+03 4 hno3 121286h 1n 1o 3 g 0300.00 5000.00 1000.00 1 0.07003845e+02 0.05811493e-01-0.02333789e-04 0.04288814e-08-0.02959385e-12 2 -0.01889952e+06-0.01047863e+03 0.01353185e+02 0.02220025e+00-0.01978812e-03 3 0.08773908e-07-0.01658384e-10-0.01738563e+06 0.01851868e+03 4 hnoh 102290h 2n 1o 1 g 0300.00 4000.00 1500.00 1 0.06396134e+02 0.01821067e-01-0.01870892e-05-0.07844472e-09 0.01444855e-12 2 0.07859615e+05-0.01040479e+03 0.02125274e+02 0.01066282e+00-0.07602589e-04 3 0.03081642e-07-0.05726498e-11 0.09553544e+05 0.01309672e+03 4 ho2 mar97h 1o 2 0 0g 300.00 5000.00 1451.00 1 4.58311499e 00 1.72730339e-03-6.19183136e-07 9.91939193e-11-5.88221567e-15 2 3.13365859e 01 3.46199386e-01 3.47629499e 00 2.20467745e-03 1.56841876e-06 3 -2.12755802e-09 5.83140718e-13 6.17073446e 02 7.02308516e 00 4 hoch2oh 103190c 1h 4o 2 g 0300.00 4000.00 1500.00 1 0.01089048e+03 0.04000443e-01-0.04729597e-05-0.01295970e-08 0.02552658e-12 2 -0.05347440e+06-0.03540623e+03-0.06548874e+01 0.03377715e+00-0.03157595e-03 3 0.01532216e-06-0.02994259e-10-0.04963411e+06 0.02579207e+03 4 hocl 40992h 1 o 1cl 1 g 0300.00 4000.00 1500.00 1 0.04953150e+02 0.01100053e-01-0.01256296e-05-0.03349951e-09 0.06464506e-13 2 -0.01114737e+06-0.06838384e+01 0.02861399e+02 0.07134484e-01-0.07311028e-04 3 0.03980236e-07-0.08506421e-11-0.01049306e+06 0.01021485e+03 4 hocn 110193h 1c 1n 1o 1g 0300.00 4000.00 1400.00 1 0.06022112e+02 0.01929530e-01-0.01455029e-05-0.01045811e-08 0.01794814e-12 2 -0.04040321e+05-0.05866433e+02 0.03789424e+02 0.05387981e-01-0.06518270e-05 3 -0.01420164e-07 0.05367969e-11-0.03135335e+05 0.06667052e+02 4 hoco 103190c 1h 1o 2 g 0300.00 4000.00 1500.00 1 0.07517634e+02 0.01259029e-01-0.01910901e-05-0.03136391e-09 0.07547673e-13 2 -0.02634121e+06-0.01448392e+03 0.02285122e+02 0.01351435e+00-0.01160407e-03 3 0.05047011e-07-0.09032231e-11-0.02448416e+06 0.01367874e+03 4 hono 31787h 1n 1o 2 g 0300.00 5000.00 1000.00 1 0.05486893e+02 0.04218065e-01-0.01649143e-04 0.02971877e-08-0.02021148e-12 2 -0.01126865e+06-0.02997002e+02 0.02290413e+02 0.01409922e+00-0.01367872e-03 3 0.07498780e-07-0.01876905e-10-0.01043195e+06 0.01328077e+03 4 hono2 103190h 1n 1o 3 g 0300.00 4000.00 1500.00 1 0.09756148e+02 0.01900948e-01-0.03240020e-05-0.03976639e-09 0.01100334e-12 2 -0.01942244e+06-0.02690023e+03 0.07877668e+01 0.02382329e+00-0.02205964e-03 3 0.01034048e-06-0.01972857e-10-0.01630442e+06 0.02108964e+03 4 hsi(ch3)2 61991h 7c 2si 1 g 0300.00 2500.00 1500.00 1 0.01220942e+03 0.09173338e-01-0.01186653e-05-0.01188590e-07 0.02418110e-11 2 0.03781464e+05-0.03668250e+03 0.02568267e+02 0.03071446e+00-0.01863911e-03 3 0.06210373e-07-0.09376544e-11 0.07271919e+05 0.01551808e+03 4 hsi(ch3)2ch2 61991h 9c 3si 1 g 0300.00 2500.00 1500.00 1 0.01723999e+03 0.01101475e+00-0.01546410e-05-0.01338650e-07 0.02653453e-11 2 -0.02842083e+05-0.06077749e+03 0.03367732e+02 0.04430759e+00-0.03246598e-03 3 0.01379387e-06-0.02586752e-10 0.02041653e+05 0.01367000e+03 4 hsi(ch3)3 61991h 10c 3si 1 g 0300.00 2500.00 1500.00 1 0.01689903e+03 0.01338224e+00-0.01538243e-05-0.01746233e-07 0.03550375e-11 2 -0.02740327e+06-0.06121112e+03 0.03224459e+02 0.04373614e+00-0.02597404e-03 3 0.08415742e-07-0.01236561e-10-0.02243583e+06 0.01289306e+03 4 hsi(nh2)2 22790si 1h 5n 2 g 0300.00 4000.00 1000.00 1 0.01171677e+03 0.05339021e-01-0.04667824e-05-0.02824087e-08 0.05080916e-12 2 -0.01264169e+05-0.03245118e+03 0.06289699e+02 0.01675060e+00-0.01520878e-04 3 -0.01070065e-06 0.05538641e-10 0.03154771e+04-0.03746008e+02 4 hsi(nh2)3 22790si 1h 7n 3 g 0300.00 4000.00 1000.00 1 0.01661406e+03 0.07395874e-01-0.06440010e-05-0.03918887e-08 0.07045959e-12 2 -0.03859547e+06-0.05865318e+03 0.07070983e+02 0.02754435e+00-0.02603669e-04 3 -0.01874567e-06 0.09778511e-10-0.03582658e+06-0.08209675e+02 4 hsic 61991h 1c 1si 1 g 0300.00 2500.00 1500.00 1 0.05849544e+02 0.07628346e-02-0.09974130e-06-0.03811586e-09 0.08581471e-13 2 0.09097438e+06-0.04862062e+02 0.03761288e+02 0.06108070e-01-0.05721172e-04 3 0.02805116e-07-0.05597709e-11 0.09168219e+06 0.06236756e+02 4 hsicch 61991h 2c 2si 1 g 0300.00 2500.00 1500.00 1 0.09098096e+02 0.02292999e-01-0.01278589e-05-0.01869017e-08 0.03514532e-12 2 0.04933532e+06-0.02153271e+03 0.03799881e+02 0.01633703e+00-0.01551299e-03 3 0.07880591e-07-0.01619982e-10 0.05109468e+06 0.06475363e+02 4 hsich2 61991h 3c 1si 1 g 0300.00 2500.00 1500.00 1 0.08641686e+02 0.02535259e-01-0.01532829e-05-0.02418416e-08 0.04870000e-12 2 0.03962671e+06-0.02128790e+03 0.02376883e+02 0.01822864e+00-0.01641260e-03 3 0.07937691e-07-0.01590356e-10 0.04179768e+06 0.01215211e+03 4 hsich3 61991h 4c 1si 1 g 0300.00 2500.00 1500.00 1 0.07578257e+02 0.05000398e-01-0.08706991e-06-0.06516750e-08 0.01344446e-11 2 0.02138075e+06-0.01438961e+03 0.02658293e+02 0.01547950e+00-0.08319889e-04 3 0.02184355e-07-0.02302844e-11 0.02319822e+06 0.01240552e+03 4 hsicl 121986si 1h 1cl 1 g 0300.00 2000.00 1000.00 1 0.04900628e+02 0.01981752e-01-0.03634647e-05-0.02285211e-08 0.07633527e-12 2 0.06914634e+05 0.01377004e+02 0.03072748e+02 0.09057843e-01-0.01159134e-03 3 0.08310477e-07-0.02483000e-10 0.07324210e+05 0.01033490e+03 4 hsin 22790h 1si 1n 1 g 0300.00 4000.00 1000.00 1 0.05746590e+02 0.01167119e-01-0.01360742e-05-0.05908617e-09 0.01174696e-12 2 0.04484671e+06-0.05931788e+02 0.04865176e+02 0.01775119e-01 0.04890870e-05 3 0.03922383e-08-0.07913276e-11 0.04526353e+06-0.07134509e+01 4 hsinh 42489si 1h 2n 1 g 0300.00 3000.00 1000.00 1 0.06493435e+02 0.02567980e-01-0.03126526e-05-0.02577467e-08 0.06216479e-12 2 0.04035934e+06-0.07830112e+02 0.03566343e+02 0.08446736e-01-0.07699952e-05 3 -0.05270970e-07 0.02581065e-10 0.04124904e+06 0.07780791e+02 4 hsinh2 42489si 1n 1h 3 g 0300.00 3000.00 1000.00 1 0.06177894e+02 0.04689964e-01-0.03583294e-05-0.04457980e-08 0.09379187e-12 2 0.01091277e+06-0.07006672e+02 0.02716144e+02 0.01204278e+00-0.09827195e-05 3 -0.07408477e-07 0.03789792e-10 0.01190771e+06 0.01126252e+03 4 hsisicl 40992h 1si 2cl 1 g 0300.00 4000.00 1500.00 1 0.09242357e+02 0.07265211e-02-0.02039730e-05-0.03559737e-10 0.04236577e-13 2 0.03651789e+06-0.01714597e+03 0.05753464e+02 0.01000321e+00-0.01097056e-03 3 0.06117942e-07-0.01351102e-10 0.03773825e+06 0.01395110e+02 4 i*c3h7 120186c 3h 7 g 0300.00 5000.00 1000.00 1 0.08063369e+02 0.01574488e+00-0.05182392e-04 0.07477245e-08-0.03854422e-12 2 0.05313871e+05-0.02192647e+03 0.01713300e+02 0.02542616e+00 0.01580808e-04 3 -0.01821286e-06 0.08827710e-10 0.07535809e+05 0.01297901e+03 4 k 81092k 1 g 0300.00 5000.00 1000.00 1 0.02563720e+02-0.01453656e-02 0.01223794e-05-0.05337797e-09 0.01196251e-12 2 0.09958933e+05 0.04689090e+02 0.02599395e+02-0.06665192e-02 0.01537419e-04 3 -0.01462701e-07 0.04917226e-11 0.09968534e+05 0.04606125e+02 4 k(l) 81092k 1 l 0300.00 2000.00 1000.00 1 0.03274152e+02-0.08858241e-03 0.03862458e-05 0.01524701e-08-0.07158116e-12 2 -0.05365253e+04-0.09686786e+02 0.04883188e+02-0.05109876e-01 0.08368289e-04 3 -0.07183867e-07 0.02694974e-10-0.01014822e+05-0.01801753e+03 4 k+ 81092k 1e -1 g 0300.00 5000.00 1000.00 1 0.02500252e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.06110476e+06 0.04335097e+02 0.02500252e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.06110476e+06 0.04335097e+02 4 k2 81092k 2 g 0300.00 5000.00 1000.00 1 0.04493744e+02 0.02561175e-02-0.03738461e-07 0.07392168e-11-0.05314252e-15 2 0.01393386e+06 0.04344696e+02 0.04445378e+02 0.04507960e-02-0.02923572e-05 3 0.01874060e-08-0.04441270e-12 0.01394330e+06 0.04577300e+02 4 k2b4o7(s) 81292b 4k 2o 7 s 0300.00 2000.00 1000.00 1 0.02241821e+03 0.01632758e+00-0.03423961e-04-0.01996427e-07 0.07329643e-11 2 -0.04092750e+07-0.01095459e+04-0.02998519e+02 0.01131803e+01-0.01363625e-02 3 0.07498933e-06-0.01475027e-09-0.04041216e+07 0.01385206e+03 4 k2b6o10(s) 81292b 6k 2o 10 s 0300.00 2000.00 1000.00 1 0.03118760e+03 0.02605101e+00-0.07109914e-04-0.01524101e-07 0.08605891e-11 2 -0.05702715e+07-0.01601394e+04 0.08964822e+02 0.01355307e+01-0.02844741e-02 3 0.03136564e-05-0.01242126e-08-0.05641143e+07-0.05121922e+03 4 k2b8o13(s) 81292b 8k 2o 13 s 0300.00 2000.00 1000.00 1 0.04112535e+03 0.02714051e+00 0.01343626e-04-0.04965544e-07 0.09664300e-11 2 -0.07315279e+07-0.02135898e+04 0.02800687e+03 0.02363518e+00 0.05436592e-03 3 -0.04802017e-06 0.07622581e-10-0.07248984e+07-0.01332889e+04 4 k2co3(s) 81292c 1k 2o 3 s 0300.00 2000.00 1000.00 1 0.01170935e+03 0.01041619e+00 0.01020812e-04-0.05155670e-08 0.09388472e-12 2 -0.01424670e+07-0.05154899e+03 0.06680495e+02 0.03154875e+00-0.03258348e-03 3 0.02341080e-06-0.06331882e-10-0.01414994e+07-0.02751031e+03 4 k2h2o2 81292h 2k 2o 2 g 0300.00 5000.00 1000.00 1 0.09476007e+02 0.05520012e-01-0.02003512e-04 0.03416984e-08-0.02230089e-12 2 -0.08204786e+06-0.01665546e+03 0.06069657e+02 0.01657159e+00-0.01641134e-03 3 0.09628012e-07-0.02546013e-10-0.08118152e+06 0.05625929e+01 4 k2o(s) 81092k 2o 1 s 0300.00 2000.00 1000.00 1 0.09200109e+02 0.04813529e-01-0.01018656e-04 0.08972973e-08-0.02121417e-11 2 -0.04671154e+06-0.04264142e+03 0.02640315e+02 0.04577225e+00-0.09349357e-03 3 0.08921012e-06-0.03044898e-09-0.04583697e+06-0.01392763e+03 4 k2o2(s) 81092k 2o 2 s 0300.00 2000.00 1000.00 1 0.01094138e+03 0.06102309e-01 0.08639951e-05-0.02383978e-08 0.01021959e-12 2 -0.06335114e+06-0.05099447e+03 0.08940024e+02 0.01225014e+00-0.08065365e-04 3 0.07182271e-07-0.02627561e-10-0.06277485e+06-0.04066683e+03 4 k2so4 81092k 2o 4s 1 g 0300.00 5000.00 1000.00 1 0.01526056e+03 0.04272701e-01-0.01902870e-04 0.03745009e-08-0.02710228e-12 2 -0.01368994e+07-0.04548655e+03 0.06620770e+02 0.02753542e+00-0.01909671e-03 3 -0.04668391e-08 0.03385142e-10-0.01346318e+07-0.01043411e+02 4 k2so4(a) 81092k 2o 4s 1 s 0300.00 1200.00 1000.00 1 0.01112054e+03 0.01688473e+00 0.02694884e-04-0.06810694e-07 0.03326950e-10 2 -0.01771853e+07-0.04766545e+03 0.05610137e+02 0.05334319e+00-0.08680538e-03 3 0.08485600e-06-0.02978756e-09-0.01763645e+07-0.02358624e+03 4 k2so4(b) 81092k 2o 4s 1 s 0300.00 1500.00 1000.00 1 0.01400625e+03 0.08639256e-01 0.01734839e-04-0.01101018e-07 0.02493181e-11 2 -0.01758863e+07-0.05931899e+03 0.01384030e+03 0.09154258e-01 0.01580722e-04 3 -0.01673984e-07 0.06273504e-11-0.01758589e+07-0.05851410e+03 4 k3cl6al(s) 81292al 1cl 6k 3 s 0300.00 2000.00 1000.00 1 0.02692199e+03 0.01202448e+00 0.05058586e-06-0.02459252e-07 0.06112274e-11 2 -0.02602720e+07-0.01118533e+04 0.02756025e+03 0.01980910e-01 0.02914285e-03 3 -0.03306608e-06 0.01153111e-09-0.02601182e+07-0.01132925e+04 4 k3cl9al2(s) 81292al 2cl 9k 3 s 0300.00 1500.00 1000.00 1 0.04789960e+03-0.03698524e-01 0.01208277e-04 0.06439299e-07-0.01714364e-10 2 -0.03594776e+07-0.02186357e+04 0.03685728e+03 0.02754220e-01 0.05087779e-03 3 -0.06808868e-06 0.02773367e-09-0.03554758e+07-0.01561649e+04 4 k3f6al(s) 81292al 1f 6k 3 s 0300.00 2000.00 1000.00 1 0.02557611e+03 0.01452585e+00-0.02005301e-04-0.01843642e-07 0.05259736e-11 2 -0.04090259e+07-0.01172057e+04 0.01633462e+03 0.05150368e+00-0.07128115e-03 3 0.06274052e-06-0.02251868e-09-0.04067185e+07-0.07147460e+03 4 kbf4 81292b 1f 4k 1 g 0300.00 5000.00 1000.00 1 0.01230182e+03 0.04142506e-01-0.01820830e-04 0.03550730e-08-0.02552394e-12 2 -0.01910389e+07-0.03449073e+03 0.05358002e+02 0.02295803e+00-0.01721231e-03 3 0.02466718e-07 0.01382599e-10-0.01891819e+07 0.01299769e+02 4 kbo2 81292b 1k 1o 2 g 0300.00 5000.00 1000.00 1 0.07506115e+02 0.02663024e-01-0.01134505e-04 0.02165299e-08-0.01532624e-12 2 -0.08364206e+06-0.08262075e+02 0.04636629e+02 0.01088843e+00-0.09865937e-04 3 0.04481115e-07-0.09043993e-11-0.08286314e+06 0.06500684e+02 4 kbo2(s) 81292b 1k 1o 2 s 0300.00 2000.00 1000.00 1 0.07971486e+02 0.06730890e-01-0.01544574e-04-0.09972352e-08 0.04052630e-11 2 -0.01227148e+07-0.03858371e+03 0.01603821e+02 0.03275175e+00-0.04757948e-03 3 0.03848067e-06-0.01269093e-09-0.01212629e+07-0.07486101e+02 4 kbr 81292br 1k 1 g 0300.00 5000.00 1000.00 1 0.04458711e+02 0.01473836e-02-0.02499466e-06 0.05161851e-10-0.03875234e-14 2 -0.02300303e+06 0.04657488e+02 0.04270624e+02 0.07398923e-02-0.05320569e-05 3 -0.05894879e-10 0.01133094e-11-0.02296215e+06 0.05593031e+02 4 kbr(l) 81292br 1k 1 l 0300.00 2500.00 1000.00 1 0.08404630e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.04779214e+06-0.03519115e+03 0.08404630e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.04779214e+06-0.03519115e+03 4 kbr(s) 81292br 1k 1 s 0300.00 1500.00 1000.00 1 -0.05170830e+02 0.01746852e+00 0.01013392e-04-0.07494241e-07 0.02378879e-10 2 -0.04495981e+06 0.03946532e+03 0.05431605e+02 0.03845234e-01-0.03455247e-04 3 -0.09685064e-09 0.02470977e-10-0.04912882e+06-0.02040493e+03 4 kcl 81092cl 1k 1 g 0300.00 5000.00 1000.00 1 0.04434967e+02 0.01726721e-02-0.03865868e-06 0.07943251e-10-0.05932801e-14 2 -0.02716306e+06 0.03398542e+02 0.04149517e+02 0.01039142e-01-0.07034589e-05 3 -0.01200715e-08 0.02112008e-11-0.02709960e+06 0.04826011e+02 4 kcl(l) 81092cl 1k 1 l 0300.00 2000.00 1000.00 1 0.08852542e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.05337392e+06-0.04001344e+03 0.08852542e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.05337392e+06-0.04001344e+03 4 kcl(s) 81092cl 1k 1 s 0300.00 1500.00 1000.00 1 0.01391136e+01 0.07749002e-01 0.02100056e-04-0.01960861e-07 0.03813962e-12 2 -0.05188544e+06 0.09020889e+02 0.05818812e+02-0.05778791e-02 0.09593293e-04 3 -0.01468548e-06 0.07916702e-10-0.05429399e+06-0.02336092e+03 4 kcl4al(s) 81292al 1cl 4k 1 s 0300.00 2000.00 1000.00 1 0.02311946e+03 0.01525936e-01-0.06380630e-06-0.04176163e-08 0.01306884e-11 2 -0.01521618e+07-0.01113391e+04 0.01753111e+03-0.03647218e-01 0.03673018e-03 3 -0.03613268e-06 0.09813280e-10-0.01492592e+07-0.07647553e+03 4 kclo4(s) 81092cl 1k 1o 4 s 0300.00 1500.00 1000.00 1 0.01704025e+03 0.06660737e-01-0.06016704e-05 0.09785776e-08-0.05059647e-11 2 -0.05676480e+06-0.08085843e+03-0.08468085e+02 0.01228758e+01-0.02129487e-02 3 0.01790606e-05-0.05694776e-09-0.05181381e+06 0.04005509e+03 4 kcn 81092c 1k 1n 1 g 0300.00 5000.00 1000.00 1 0.05842749e+02 0.01653475e-01-0.06722096e-05 0.01241081e-08-0.08573718e-13 2 0.07711161e+05-0.03406482e+02 0.05315387e+02 0.03936776e-01-0.05387426e-04 3 0.04814072e-07-0.01739264e-10 0.07842257e+05-0.08199391e+01 4 kcn(l) 81092c 1k 1n 1 l 0300.00 3000.00 1000.00 1 0.09058883e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01522798e+06-0.03545687e+03 0.09058883e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.01522798e+06-0.03545687e+03 4 kcn(s) 81092c 1k 1n 1 s 0300.00 2000.00 1000.00 1 0.07894013e+02 0.02150449e-02-0.01621315e-05 0.06831993e-09-0.01060712e-12 2 -0.01600422e+06-0.02964975e+03 0.08115453e+02-0.08847082e-02 0.01981085e-04 3 -0.01804607e-07 0.05974163e-11-0.01604356e+06-0.03067895e+03 4 kf 81292f 1k 1 g 0300.00 5000.00 1000.00 1 0.04357120e+02 0.02586241e-02-0.08236973e-06 0.01676907e-09-0.01243132e-13 2 -0.04063861e+06 0.02285054e+02 0.03798984e+02 0.01885430e-01-0.01210870e-04 3 -0.03741075e-08 0.04494632e-11-0.04051013e+06 0.05095577e+02 4 kf(l) 81292f 1k 1 l 0300.00 3000.00 1000.00 1 0.08656265e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.06927377e+06-0.04118344e+03 0.08656265e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.06927377e+06-0.04118343e+03 4 kf(s) 81292f 1k 1 s 0300.00 2000.00 1000.00 1 0.03272299e+01 0.08993195e-01-0.03094381e-06-0.02624963e-07 0.07101532e-11 2 -0.06804909e+06 0.05309298e+02 0.06190467e+02-0.05622034e-01 0.02294401e-03 3 -0.02818213e-06 0.01204436e-09-0.07014057e+06-0.02637925e+03 4 kh 81092h 1k 1 g 0300.00 5000.00 1000.00 1 0.03968138e+02 0.07086924e-02-0.02618517e-05 0.05096044e-09-0.03655452e-13 2 0.01350120e+06 0.08027413e+01 0.02900121e+02 0.03518317e-01-0.02544774e-04 3 0.04599961e-08 0.01286229e-11 0.01379667e+06 0.06342766e+02 4 kh(s) 81092h 1k 1 s 0300.00 1500.00 1000.00 1 0.05864564e+02 0.01204909e-01 0.02825877e-06 0.03559937e-08-0.02515747e-11 2 -0.09079129e+05-0.02848776e+03 0.05248775e+01 0.02016870e+00-0.02768125e-03 3 0.02024240e-06-0.06052568e-10-0.07796234e+05-0.01890097e+02 4 ki 81092i 1k 1 g 0300.00 5000.00 1000.00 1 0.04470767e+02 0.01359027e-02-0.01768799e-06 0.03648327e-10-0.02733674e-14 2 -0.01644198e+06 0.05528315e+02 0.04327901e+02 0.05945793e-02-0.04409470e-05 3 0.04559572e-09 0.06522621e-12-0.01641095e+06 0.06237795e+02 4 ki(l) 81092i 1k 1 l 0300.00 2500.00 1000.00 1 0.08706593e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.04022598e+06-0.03588112e+03 0.08706593e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.04022598e+06-0.03588112e+03 4 ki(s) 81092i 1k 1 s 0300.00 2000.00 1000.00 1 0.01442913e+02 0.09802845e-01-0.01380615e-04-0.02325573e-07 0.07600708e-11 2 -0.03988335e+06 0.02717618e+02 0.05114120e+02 0.08508960e-01-0.02212545e-03 3 0.02836093e-06-0.01155892e-09-0.04120049e+06-0.01812497e+03 4 ko 81092k 1o 1 g 0300.00 5000.00 1000.00 1 0.04400291e+02 0.02386787e-02-0.05880047e-06 0.01206713e-09-0.09006961e-14 2 0.07217110e+05 0.03434775e+02 0.03985333e+02 0.01469353e-01-0.09479054e-05 3 -0.02419141e-08 0.03264700e-11 0.07311120e+05 0.05517902e+02 4 ko- 81092k 1o 1e 1 g 0300.00 5000.00 1000.00 1 0.04394805e+02 0.02418371e-02-0.06146423e-06 0.01255348e-09-0.09326869e-14 2 -0.01794565e+06 0.02053687e+02 0.03961007e+02 0.01526099e-01-0.09806386e-05 3 -0.02666917e-08 0.03470232e-11-0.01784737e+06 0.04231682e+02 4 ko2(s) 81092k 1o 2 s 0300.00 1500.00 1000.00 1 0.01049310e+03 0.01397618e-01-0.06976643e-05 0.03477427e-08-0.01222708e-11 2 -0.03767516e+06-0.04607321e+03 0.04023244e+02 0.02903561e+00-0.04812416e-03 3 0.03816613e-06-0.01168231e-09-0.03635805e+06-0.01502191e+03 4 koh 81092h 1k 1o 1 g 0300.00 2000.00 1000.00 1 0.09996477e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.05262511e+06-0.04533806e+03 0.09996477e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.05262511e+06-0.04533805e+03 4 koh+ 81092h 1k 1o 1e -1g 0300.00 5000.00 1000.00 1 0.05583889e+02 0.01372118e-01-0.04239710e-05 0.06231942e-09-0.03548772e-13 2 0.05821436e+06-0.02017959e+02 0.05036081e+02 0.04278173e-01-0.04213406e-04 3 0.01114253e-07 0.03757057e-11 0.05823345e+06 0.03093667e+01 4 me2gaet 62987ga 1c 4h 11 g 0300.00 1500.00 0600.00 1 0.07174541e+02 0.03235532e+00 0.01495199e-04-0.01048226e-06 0.03053962e-10 2 -0.06383914e+05-0.02026765e+02-0.03218207e+02 0.06398884e+00 0.01554552e-03 3 -0.01284710e-05 0.09441259e-09-0.04451897e+05 0.04848091e+03 4 megaet 62987ga 1c 3h 8 g 0300.00 1500.00 0600.00 1 0.06600990e+02 0.02284791e+00 0.01013375e-04-0.07318046e-07 0.02140197e-10 2 0.04071593e+05 0.05239052e+01-0.08169937e+01 0.04554296e+00 0.01053133e-03 3 -0.09079987e-06 0.06700564e-09 0.05448005e+05 0.03655502e+03 4 megaet2 62987ga 1c 5h 13 g 0300.00 1500.00 0600.00 1 0.08123156e+02 0.03978908e+00 0.01690979e-04-0.01308415e-06 0.03852599e-10 2 -0.08091057e+05-0.05039992e+02-0.05607499e+02 0.08187357e+00 0.01920530e-03 3 -0.01678979e-05 0.01243354e-08-0.05546688e+05 0.06163371e+03 4 mg 81292mg 1 g 0300.00 5000.00 1000.00 1 0.02392633e+02 0.02085925e-02-0.01269898e-05 0.02553204e-09-0.04502495e-14 2 0.01704914e+06 0.04211876e+02 0.02416375e+02 0.05325518e-02-0.01135514e-04 3 0.09757325e-08-0.02898280e-11 0.01701992e+06 0.03983786e+02 4 mg(l) 81292mg 1 l 0300.00 2500.00 1000.00 1 0.02664314e+02 0.01304526e-01-0.07547418e-07 0.06776047e-10-0.01436523e-13 2 0.02234430e+04-0.01047801e+03 0.02161491e+02 0.04242991e-01-0.06464607e-04 3 0.06116790e-07-0.02090033e-10 0.02996028e+04-0.08229090e+02 4 mg(s) 81292mg 1 s 0300.00 2000.00 1000.00 1 0.02318547e+02 0.01929427e-01-0.01682130e-05 0.04131403e-09-0.01669293e-13 2 -0.07634172e+04-0.09802473e+02 0.01505637e+02 0.09217769e-01-0.01955590e-03 3 0.02020331e-06-0.07251403e-10-0.07226661e+04-0.06689818e+02 4 mg+ 81292mg 1e -1 g 0300.00 5000.00 1000.00 1 0.02504405e+02-0.08920014e-04 0.06671727e-07-0.02081615e-10 0.02311490e-14 2 0.01064936e+07 0.04292208e+02 0.02498282e+02 0.01465863e-03-0.03808341e-06 3 0.04118195e-09-0.01573362e-12 0.01064953e+07 0.04322873e+02 4 mg2 81292mg 2 g 0300.00 5000.00 1000.00 1 0.03671278e+02-0.02125120e-02 0.01013096e-05-0.02144628e-09 0.01719351e-13 2 0.03362331e+06 0.08548934e+02 0.04345606e+02-0.02080614e-01 0.01110301e-04 3 0.08675645e-08-0.07025087e-11 0.03346530e+06 0.05134171e+02 4 mg2br4 81292br 4mg 2 g 0300.00 5000.00 1000.00 1 0.01577579e+03 0.02832096e-02-0.01343784e-05 0.02764443e-09-0.02066139e-13 2 -0.09710095e+06-0.03457961e+03 0.01476089e+03 0.03361559e-01-0.02433120e-04 3 -0.05502974e-08 0.08111758e-11-0.09687714e+06-0.02950851e+03 4 mg2c3(s) 81292c 3mg 2 s 0300.00 2500.00 1000.00 1 0.01239169e+03 0.04624400e-01-0.02484800e-04 0.08656213e-08-0.01151950e-11 2 0.05393315e+05-0.06051988e+03-0.01026610e+02 0.07016433e+00-0.01240220e-02 3 0.01009934e-05-0.03082738e-09 0.07664551e+05 0.01701243e+02 4 mg2f4 81292f 4mg 2 g 0300.00 5000.00 1000.00 1 0.01441927e+03 0.01917749e-01-0.08894670e-05 0.01801607e-08-0.01331627e-12 2 -0.02113316e+07-0.04283410e+03 0.08770948e+02 0.01784847e+00-0.01109718e-03 3 -0.04603306e-07 0.04695460e-10-0.02099919e+07-0.01422645e+03 4 mgal2o4(s) 81292al 2mg 1o 4 s 0300.00 2800.00 1000.00 1 0.01495895e+03 0.08818509e-01-0.03160711e-04 0.01013391e-07-0.01228526e-11 2 -0.02817956e+07-0.07811436e+03-0.04868005e+02 0.01055641e+01-0.01821902e-02 3 0.01481432e-05-0.04514191e-09-0.02784436e+07 0.01382603e+03 4 mgb2(s) 81292b 2mg 1 s 0300.00 2000.00 1000.00 1 0.06619755e+02 0.01322195e-01 0.04697857e-05 0.03681802e-08-0.01739753e-11 2 -0.01346401e+06-0.03460640e+03 0.04176086e+02 0.06396544e-01-0.05616456e-04 3 0.07092297e-07-0.03442529e-10-0.01255609e+06-0.02118159e+03 4 mgbr 81292br 1mg 1 g 0300.00 5000.00 1000.00 1 0.04385933e+02 0.01975075e-02-0.06117347e-06 0.01027103e-09-0.03876260e-14 2 -0.05584836e+05 0.04357095e+02 0.03932960e+02 0.01518559e-01-0.09413456e-05 3 -0.03806534e-08 0.04026288e-11-0.05481871e+05 0.06634707e+02 4 mgbr2 81292br 2mg 1 g 0300.00 5000.00 1000.00 1 0.07282371e+02 0.02671005e-02-0.01246470e-05 0.02534839e-09-0.01878437e-13 2 -0.03865522e+06-0.05463838e+02 0.06436183e+02 0.02723204e-01-0.01828290e-04 3 -0.05509276e-08 0.06681264e-11-0.03845914e+06-0.01198273e+02 4 mgbr2+ 81292br 2mg 1e -1 g 0300.00 5000.00 1000.00 1 0.07317323e+02 0.02252288e-02-0.01039562e-05 0.02025280e-09-0.01333602e-13 2 0.08575141e+06-0.03144653e+02 0.06600891e+02 0.02322271e-01-0.01575443e-04 3 -0.04621806e-08 0.05719750e-11 0.08591576e+06 0.04604670e+01 4 mgc2(s) 81292c 2mg 1 s 0300.00 2500.00 1000.00 1 0.07427011e+02 0.02786444e-01-0.01500518e-04 0.05235992e-08-0.06981197e-12 2 0.08069270e+05-0.03697419e+03-0.06510206e+01 0.04230993e+00-0.07491559e-03 3 0.06109534e-06-0.01867195e-09 0.09434739e+05 0.04708862e+01 4 mgcl 81292cl 1mg 1 g 0300.00 5000.00 1000.00 1 0.04335941e+02 0.02574531e-02-0.09346352e-06 0.01898185e-09-0.01405830e-13 2 -0.06564693e+05 0.03214818e+02 0.03708081e+02 0.02069048e-01-0.01328293e-04 3 -0.04347061e-08 0.05033764e-11-0.06418555e+05 0.06382778e+02 4 mgcl2 81292cl 2mg 1 g 0300.00 5000.00 1000.00 1 0.07176871e+02 0.03917414e-02-0.01814155e-05 0.03670114e-09-0.02710187e-13 2 -0.04941693e+06-0.07830507e+02 0.06000831e+02 0.03745347e-01-0.02447708e-04 3 -0.07873749e-08 0.09100925e-11-0.04913880e+06-0.01880677e+02 4 mgcl2(s) 81292cl 2mg 1 s 0300.00 2000.00 1000.00 1 0.08460549e+02 0.02204761e-01-0.06316590e-05 0.02617815e-08-0.05082748e-12 2 -0.07983216e+06-0.03816537e+03 0.04852236e+02 0.02102714e+00-0.03667994e-03 3 0.03032449e-06-0.09279303e-10-0.07928891e+06-0.02175204e+03 4 mgco3(s) 81292c 1mg 1o 3 s 0300.00 1000.00 1000.00 1 0.01585340e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01402924e+07-0.08639698e+03 0.01344667e+02 0.03695912e+00-0.04452165e-03 3 0.03181716e-06-0.09745892e-10-0.01354278e+07-0.09041713e+02 4 mgf 81292f 1mg 1 g 0300.00 5000.00 1000.00 1 0.04166004e+02 0.04434929e-02-0.01720072e-05 0.03280565e-09-0.02190876e-13 2 -0.02980270e+06 0.02577443e+02 0.03172942e+02 0.03157075e-01-0.02008009e-04 3 -0.04636928e-08 0.06097890e-11-0.02955269e+06 0.07654193e+02 4 mgf2 81292f 2mg 1 g 0300.00 5000.00 1000.00 1 0.06314408e+02 0.08013760e-02-0.03622602e-05 0.07202929e-09-0.05250556e-13 2 -0.08944590e+06-0.05637362e+02 0.04365511e+02 0.06150098e-01-0.04077014e-04 3 -0.07490467e-08 0.01130754e-10-0.08895505e+06 0.04323487e+02 4 mgf2(s) 81292f 2mg 1 s 0300.00 2000.00 1000.00 1 0.08170168e+02 0.02353222e-01-0.01060785e-04 0.02392788e-08-0.01594861e-12 2 -0.01379692e+07-0.04083052e+03 0.01762995e+02 0.03056669e+00-0.04933989e-03 3 0.03778577e-06-0.01108964e-09-0.01367476e+07-0.01039233e+03 4 mgf2+ 81292f 2mg 1e -1 g 0300.00 5000.00 1000.00 1 0.06819974e+02 0.08267521e-02-0.03871799e-05 0.07864547e-09-0.05589085e-13 2 0.06903427e+06-0.08313943e+02 0.04782002e+02 0.06580736e-01-0.04470059e-04 3 -0.08656625e-08 0.01305586e-10 0.06953005e+06 0.02038302e+02 4 mgh 81292h 1mg 1 g 0300.00 5000.00 1000.00 1 0.03501857e+02 0.01196289e-01-0.04870483e-05 0.09616032e-09-0.06566165e-13 2 0.01915847e+06 0.02762077e+02 0.02929127e+02 0.02881565e-01-0.03702138e-04 3 0.03761425e-07-0.01569289e-10 0.01935649e+06 0.05809553e+02 4 mgh2(s) 81292h 2mg 1 s 0300.00 2000.00 1000.00 1 0.04503751e+02 0.05009365e-01-0.07076169e-05-0.09321345e-08 0.03016174e-11 2 -0.01106837e+06-0.02418625e+03-0.09052193e+00 0.01938007e+00-0.01936573e-03 3 0.01164904e-06-0.03397887e-10-0.09845471e+05-0.07606392e+01 4 mgh2o2 81292h 2mg 1o 2 g 0300.00 5000.00 1000.00 1 0.08302454e+02 0.03712996e-01-0.01279645e-04 0.02102831e-08-0.01337217e-12 2 -0.07153173e+06-0.01640682e+03 0.04724303e+02 0.01611746e+00-0.01291007e-03 3 0.05703660e-08 0.02430663e-10-0.07085783e+06 0.09898885e+01 4 mgh2o2(s) 81292h 2mg 1o 2 s 0300.00 1000.00 1000.00 1 0.01381001e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01162998e+07-0.07323205e+03-0.04220693e+02 0.07726916e+00-0.01383568e-02 3 0.01155986e-05-0.03648025e-09-0.01123883e+07 0.01381610e+03 4 mgn 81292mg 1n 1 g 0300.00 5000.00 1000.00 1 0.04177825e+02 0.04387980e-02-0.01726040e-05 0.03444124e-09-0.02516521e-13 2 0.03340716e+06 0.02969357e+02 0.03200092e+02 0.03139739e-01-0.02045035e-04 3 -0.04125930e-08 0.05937391e-11 0.03365107e+06 0.07958522e+02 4 mgo(s) 81292mg 1o 1 s 0300.00 4000.00 1000.00 1 0.04857470e+02 0.01952289e-01-0.08605956e-05 0.02101340e-08-0.01886027e-12 2 -0.07394488e+06-0.02524503e+03 0.01971740e+02 0.01095483e+00-0.08169910e-04 3 -0.06359402e-08 0.02019714e-10-0.07332016e+06-0.01088662e+03 4 mgoh 81292h 1mg 1o 1 g 0300.00 5000.00 1000.00 1 0.05156858e+02 0.01849251e-01-0.06339213e-05 0.01026031e-08-0.06282974e-13 2 -0.02145938e+06-0.02774689e+02 0.03347871e+02 0.08101305e-01-0.06443066e-04 3 0.02006805e-08 0.01261718e-10-0.02111816e+06 0.06024177e+02 4 mgoh+ 81292h 1mg 1o 1e -1g 0300.00 5000.00 1000.00 1 0.05171484e+02 0.01835998e-01-0.06314934e-05 0.01036229e-08-0.06583402e-13 2 0.06865354e+06-0.03526109e+02 0.03383351e+02 0.08055572e-01-0.06452790e-04 3 0.02400212e-08 0.01246873e-10 0.06898753e+06 0.05158118e+02 4 mgs 81292mg 1s 1 g 0300.00 5000.00 1000.00 1 0.01071331e+03-0.06086042e-01 0.02390833e-04-0.04174042e-08 0.02737530e-12 2 0.01317442e+06-0.03521998e+03 0.03789723e+02-0.03985028e-01 0.02217192e-03 3 -0.01858825e-06 0.03239714e-10 0.01635406e+06 0.05868810e+02 4 mgs(s) 81292mg 1s 1 s 0300.00 3000.00 1000.00 1 0.05581918e+02 0.08031267e-02-0.01812239e-05 0.04113088e-09-0.02798069e-13 2 -0.04331716e+06-0.02607368e+03 0.04076152e+02 0.07088011e-01-0.09604458e-04 3 0.06056009e-07-0.01373560e-10-0.04304232e+06-0.01890776e+03 4 mgso4(s) 81292mg 1o 4s 1 s 0300.00 2500.00 1000.00 1 0.08845820e+02 0.01221900e+00-0.02141897e-04-0.09580988e-08 0.02954552e-11 2 -0.01549512e+07-0.04302983e+03 0.02258418e+02 0.04788929e+00-0.07110586e-03 3 0.05630850e-06-0.01709008e-09-0.01540505e+07-0.01345647e+03 4 n 120186n 1 g 0300.00 5000.00 1000.00 1 0.02450268e+02 0.01066146e-02-0.07465337e-06 0.01879652e-09-0.01025984e-13 2 0.05611604e+06 0.04448758e+02 0.02503071e+02-0.02180018e-03 0.05420529e-06 3 -0.05647560e-09 0.02099904e-12 0.05609890e+06 0.04167566e+02 4 n*c3h7 120186c 3h 7 g 0300.00 5000.00 1000.00 1 0.07978291e+02 0.01576113e+00-0.05173243e-04 0.07443892e-08-0.03824978e-12 2 0.07579402e+05-0.01935611e+03 0.01922537e+02 0.02478927e+00 0.01810249e-04 3 -0.01783266e-06 0.08582996e-10 0.09713281e+05 0.01399271e+03 4 n2 121286n 2 g 0300.00 5000.00 1000.00 1 0.02926640e+02 0.01487977e-01-0.05684761e-05 0.01009704e-08-0.06753351e-13 2 -0.09227977e+04 0.05980528e+02 0.03298677e+02 0.01408240e-01-0.03963222e-04 3 0.05641515e-07-0.02444855e-10-0.01020900e+05 0.03950372e+02 4 n2h2 121286n 2h 2 g 0300.00 5000.00 1000.00 1 0.03371185e+02 0.06039968e-01-0.02303854e-04 0.04062789e-08-0.02713144e-12 2 0.02418172e+06 0.04980585e+02 0.01617999e+02 0.01306312e+00-0.01715712e-03 3 0.01605608e-06-0.06093639e-10 0.02467526e+06 0.01379467e+03 4 n2h3 120186n 2h 3 g 0300.00 5000.00 1000.00 1 0.04441846e+02 0.07214271e-01-0.02495684e-04 0.03920565e-08-0.02298950e-12 2 0.01664221e+06-0.04275205e+01 0.03174204e+02 0.04715907e-01 0.01334867e-03 3 -0.01919685e-06 0.07487564e-10 0.01727270e+06 0.07557224e+02 4 n2h4 121286n 2h 4 g 0300.00 5000.00 1000.00 1 0.04977317e+02 0.09595519e-01-0.03547639e-04 0.06124299e-08-0.04029795e-12 2 0.09341219e+05-0.02962990e+02 0.06442606e+00 0.02749730e+00-0.02899451e-03 3 0.01745240e-06-0.04422282e-10 0.01045192e+06 0.02127789e+03 4 n2h4(l) 90589h 4n 2 l 0300.00 0600.00 0450.00 1 0.08890683e+02 0.08330343e-01 0.04945549e-04-0.04909251e-08-0.03355824e-10 2 0.03032250e+05-0.03871433e+03 0.09047444e+02 0.09241592e-01 0.02263547e-04 3 -0.08952247e-07 0.01486863e-09 0.02970393e+05-0.03974034e+03 4 n2o 121286n 2o 1 g 0300.00 5000.00 1000.00 1 0.04718977e+02 0.02873714e-01-0.01197496e-04 0.02250552e-08-0.01575337e-12 2 0.08165811e+05-0.01657250e+02 0.02543058e+02 0.09492193e-01-0.09792775e-04 3 0.06263845e-07-0.01901826e-10 0.08765100e+05 0.09511222e+02 4 n2o+ 121286n 2o 1e -1 g 0300.00 5000.00 1000.00 1 0.05398516e+02 0.02249478e-01-0.09577057e-05 0.01823193e-08-0.01284422e-12 2 0.01584851e+07-0.03733146e+02 0.03187228e+02 0.08350714e-01-0.07894549e-04 3 0.04597445e-07-0.01381075e-10 0.01591279e+07 0.07779426e+02 4 n2o4 121286n 2o 4 g 0300.00 5000.00 1000.00 1 0.01048220e+03 0.05972272e-01-0.02564044e-04 0.04916885e-08-0.03490969e-12 2 -0.02849989e+05-0.02612289e+03 0.03624593e+02 0.02474708e+00-0.02172875e-03 3 0.09927104e-07-0.02222817e-10-0.09128241e+04 0.09457174e+02 4 n3 121286n 3 g 0300.00 5000.00 1000.00 1 0.05208505e+02 0.02444507e-01-0.01038941e-04 0.01977417e-08-0.01395644e-12 2 0.04796178e+06-0.03612756e+02 0.02882219e+02 0.08930338e-01-0.08539038e-04 3 0.05045585e-07-0.01521248e-10 0.04863468e+06 0.08481757e+02 4 na 80792na 1 g 0300.00 5000.00 1000.00 1 0.02574480e+02-0.01605880e-02 0.01250641e-05-0.04516576e-09 0.06941745e-13 2 0.01219129e+06 0.03830900e+02 0.02591348e+02-0.05961520e-02 0.01327651e-04 3 -0.01211123e-07 0.03890067e-11 0.01220642e+06 0.03841789e+02 4 na(l) 81092na 1 l 0300.00 2000.00 1000.00 1 0.04030581e+02-0.01320419e-01 0.04136604e-05 0.05486936e-08-0.01916626e-11 2 -0.07899189e+04-0.01548589e+03 0.04682137e+02-0.03624112e-01 0.04776195e-04 3 -0.03871514e-07 0.01518150e-10-0.09807172e+04-0.01881830e+03 4 na+ 80792na 1e -1 g 0300.00 5000.00 1000.00 1 0.02500252e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.07260903e+06 0.03538490e+02 0.02500252e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.07260904e+06 0.03538490e+02 4 na2 80792na 2 g 0300.00 5000.00 1000.00 1 0.04480669e+02 0.02178011e-02-0.01102830e-06 0.02208498e-10-0.01614866e-14 2 0.01519313e+06 0.02073203e+02 0.04369675e+02 0.05850265e-02-0.03825359e-05 3 0.08752245e-09 0.02980178e-12 0.01521703e+06 0.02622521e+02 4 na2b4o7(s) 81292b 4na 2o 7 s 0300.00 2000.00 1000.00 1 0.02061542e+03 0.01728323e+00-0.04016503e-04-0.07600982e-08 0.05580242e-11 2 -0.04014288e+07-0.01006093e+04 0.01430907e+02 0.01167214e+01-0.02000861e-02 3 0.01698028e-05-0.05418888e-09-0.03982982e+07-0.01265829e+03 4 na2b6o10(s) 81292b 6na 2o 10 s 0300.00 2000.00 1000.00 1 0.02989617e+03 0.03053411e+00-0.02146684e-04-0.04458443e-07 0.09406424e-11 2 -0.05638429e+07-0.01571271e+04 0.09347958e+02 0.08948274e+00-0.01024848e-02 3 0.01015647e-05-0.04314482e-09-0.05570116e+07-0.04828430e+03 4 na2c2n2 81292c 2n 2na 2 g 0300.00 5000.00 1000.00 1 0.01253426e+03 0.03485206e-01-0.01426483e-04 0.02648455e-08-0.01838071e-12 2 -0.05033986e+05-0.03087649e+03 0.01092445e+03 0.09724206e-01-0.01190420e-03 3 0.08942515e-07-0.02847524e-10-0.04654688e+05-0.02294170e+03 4 na2f2 80792f 2na 2 g 0300.00 5000.00 1000.00 1 0.09265403e+02 0.09044011e-02-0.04233919e-05 0.08630666e-09-0.06408558e-13 2 -0.01047310e+07-0.01880290e+03 0.06422050e+02 0.09031559e-01-0.05593408e-04 3 -0.02581729e-07 0.02547837e-10-0.01040718e+07-0.04453081e+02 4 na2h2o2 80792h 2na 2o 2 g 0300.00 5000.00 1000.00 1 0.09347846e+02 0.05678318e-01-0.02077824e-04 0.03568716e-08-0.02342868e-12 2 -0.07634945e+06-0.01850110e+03 0.05441492e+02 0.01814821e+00-0.01733029e-03 3 0.09077551e-07-0.02055174e-10-0.07536770e+06 0.01240430e+02 4 na2o(l) 81092na 2o 1 l 0300.00 3000.00 1000.00 1 0.01258178e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.04859891e+06-0.06066678e+03 0.01258178e+03 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.04859891e+06-0.06066677e+03 4 na2o(s) 81092na 2o 1 s 0300.00 2000.00 1000.00 1 0.08804423e+02 0.03253428e-01-0.03530522e-05-0.04324117e-08 0.01394574e-11 2 -0.05257507e+06-0.04209654e+03 0.04776964e+02 0.01483269e+00-0.01052247e-03 3 0.01278469e-07 0.01046187e-10-0.05155651e+06-0.02156737e+03 4 na2o2 81092na 2o 2 s 0300.00 2500.00 1000.00 1 0.01382402e+03-0.03556455e-02 0.02837263e-05-0.09701692e-09 0.01205762e-12 2 -0.06583802e+06-0.06789536e+03 0.08035418e+02 0.05983777e-01 0.01935571e-03 3 -0.03410482e-06 0.01439706e-09-0.06395152e+06-0.03604480e+03 4 na2so4 80792na 2o 4s 1 g 0300.00 5000.00 1000.00 1 0.01506456e+03 0.04508233e-01-0.02011474e-04 0.03963989e-08-0.02871466e-12 2 -0.01296053e+07-0.04683857e+03 0.05752581e+02 0.02964118e+00-0.02035211e-03 3 -0.01073243e-07 0.03960597e-10-0.01271767e+07 0.01016246e+02 4 na2so4(d) 81092na 2o 4s 1 s 0300.00 1500.00 1000.00 1 0.01062092e+03 0.01179912e+00 0.03608537e-04-0.03424054e-09-0.09650399e-11 2 -0.01684493e+07-0.04191208e+03 0.01187237e+03 0.04287018e+00-0.09072926e-03 3 0.09042235e-06-0.02940634e-09-0.01707163e+07-0.05750085e+03 4 na2so4(i) 81092na 2o 4s 1 s 0300.00 1500.00 1000.00 1 0.01711668e+03 0.05878399e-01 0.01196697e-04 0.01676018e-08-0.02640822e-11 2 -0.01714447e+07-0.07997372e+03 0.01674756e+03 0.01133662e+00-0.01526634e-03 3 0.01819548e-06-0.06918027e-10-0.01714932e+07-0.07899648e+03 4 na2so4(iii) 81092na 2o 4s 1 s 0300.00 1000.00 1000.00 1 0.03701786e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01854858e+07-0.02084472e+04 0.01413394e+03-0.01694491e+00 0.09403022e-03 3 -0.07815722e-06 0.02395583e-09-0.01707247e+07-0.06037737e+03 4 na2so4(iv) 81092na 2o 4s 1 s 0300.00 1000.00 1000.00 1 0.02590382e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01779857e+07-0.01365608e+04 0.05917499e+02 0.04507074e+00-0.05672574e-03 3 0.04596655e-06-0.01432523e-09-0.01702527e+07-0.02694892e+03 4 na2so4(v) 81092na 2o 4s 1 s 0300.00 1000.00 1000.00 1 0.02590382e+03 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.01780169e+07-0.01366284e+04 0.05917499e+02 0.04507074e+00-0.05672574e-03 3 0.04596655e-06-0.01432523e-09-0.01702840e+07-0.02701654e+03 4 na3cl6al(s) 81292al 1cl 6na 3 s 0300.00 2000.00 1000.00 1 0.02863182e+03 0.08169580e-01 0.01787040e-05-0.09984084e-08 0.01787581e-11 2 -0.02473307e+07-0.01246570e+04 0.02610594e+03 0.09148861e-01 0.09743193e-04 3 -0.01296166e-06 0.04124132e-10-0.02462808e+07-0.01099689e+04 4 na3f6al(s) 81292al 1f 6na 3 s 0300.00 1200.00 1000.00 1 0.01867366e+03 0.02426805e+00 0.01311169e-04-0.01223061e-06 0.06326451e-10 2 -0.04056682e+07-0.08492075e+03 0.01182130e+03 0.07831376e+00-0.01387551e-02 3 0.01331742e-05-0.04620547e-09-0.04049948e+07-0.05693419e+03 4 nabh4(s) 81292b 1h 4na 1 s 0300.00 2000.00 1000.00 1 0.08204329e+02 0.01008304e+00-0.01032261e-04-0.02815504e-07 0.09005147e-11 2 -0.02614390e+06-0.03790153e+03 0.08076391e+02 0.05407829e-01 0.01208139e-03 3 -0.01450540e-06 0.04279918e-10-0.02580298e+06-0.03584760e+03 4 nabo2 81092b 1na 1o 2 g 0300.00 5000.00 1000.00 1 0.07449052e+02 0.02730088e-01-0.01165145e-04 0.02226924e-08-0.01578063e-12 2 -0.08056425e+06-0.09194809e+02 0.04413702e+02 0.01144045e+00-0.01021892e-03 3 0.04340556e-07-0.07548787e-11-0.07974780e+06 0.06401325e+02 4 nabo2(s) 81292b 1na 1o 2 s 0300.00 2000.00 1000.00 1 0.07820448e+02 0.06702746e-01-0.01488126e-04-0.01033983e-07 0.04130615e-11 2 -0.01203511e+07-0.03848530e+03 0.01695994e+02 0.03131723e+00-0.04453876e-03 3 0.03572163e-06-0.01178195e-09-0.01189335e+07-0.08471359e+02 4 nabr 81092br 1na 1 g 0300.00 5000.00 1000.00 1 0.04424304e+02 0.01887477e-02-0.04500799e-06 0.09226701e-10-0.06871650e-14 2 -0.01865205e+06 0.03707466e+02 0.04097639e+02 0.01170972e-01-0.07798224e-05 3 -0.01611608e-08 0.02489549e-11-0.01857889e+06 0.05343556e+02 4 nabr(l) 81292br 1na 1 l 0300.00 2500.00 1000.00 1 0.07498742e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -0.04305332e+06-0.03017306e+03 0.07498742e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00-0.04305333e+06-0.03017306e+03 4 nabr(s) 81292br 1na 1 s 0300.00 2000.00 1000.00 1 0.05741811e+02 0.01766697e-01-0.01899553e-05 0.01473021e-09 0.01715605e-12 2 -0.04526151e+06-0.02279248e+03 0.04706446e+02 0.08010188e-01-0.01346175e-03 3 0.01196933e-06-0.03873765e-10-0.04513442e+06-0.01826015e+03 4 nach 80792c 1n 1na 1 g 0300.00 5000.00 1000.00 1 0.05791865e+02 0.01708993e-01-0.06965832e-05 0.01288980e-08-0.08921502e-13 2 0.09496355e+05-0.04320624e+02 0.05123989e+02 0.04411283e-01-0.05682223e-04 3 0.04664804e-07-0.01593603e-10 0.09657925e+05-0.01032367e+02 4 nacl 81092cl 1na 1 g 0300.00 5000.00 1000.00 1 0.04393820e+02 0.02153336e-02-0.06198756e-06 0.01266879e-09-0.09427806e-14 2 -0.02315864e+06 0.02486064e+02 0.03953003e+02 0.01514187e-01-0.09819465e-05 3 -0.02807090e-08 0.03543574e-11-0.02305831e+06 0.04701214e+02 4 nacl(s) 81092cl 1na 1 s 0300.00 1500.00 1000.00 1 0.07639640e+02-0.03933726e-01 0.02071020e-04 0.04233998e-07-0.02204761e-10 2 -0.05163684e+06-0.03397957e+03 0.04982695e+02 0.05432908e-01-0.07698454e-04 3 0.06300821e-07-0.01211800e-10-0.05112201e+06-0.02104512e+03 4 nacl4al(s) 81292al 1cl 4na 1 s 0300.00 2000.00 1000.00 1 0.02138498e+03 0.03252454e-01-0.01769716e-05-0.07072990e-08 0.01928080e-11 2 -0.01447874e+07-0.01021539e+04 0.01588411e+03 0.04527768e-01 0.02409928e-03 3 -0.03108224e-06 0.01051706e-09-0.01424874e+07-0.07002475e+03 4 nacn 81092c 1n 1na 1 g 0300.00 5000.00 1000.00 1 0.05791865e+02 0.01708993e-01-0.06965832e-05 0.01288980e-08-0.08921502e-13 2 0.09496355e+05-0.04320624e+02 0.05123989e+02 0.04411283e-01-0.05682223e-04 3 0.04664804e-07-0.01593603e-10 0.09657925e+05-0.01032367e+02 4 nacn(s) 81292c 1n 1na 1 s 0300.00 2000.00 1000.00 1 0.08137501e+02 0.03044670e-02-0.01811052e-05 0.08281245e-09-0.01435891e-12 2 -0.01334049e+06-0.03217693e+03 0.08239171e+02-0.05281579e-03 0.03829305e-05 3 -0.03800801e-08 0.01401136e-11-0.01336670e+06-0.03268830e+03 4 naf 80792f 1na 1 g 0300.00 5000.00 1000.00 1 0.04289078e+02 0.03377828e-02-0.01184403e-05 0.02398348e-09-0.01772778e-13 2 -0.03626513e+06 0.01538309e+02 0.03532346e+02 0.02495132e-01-0.01587195e-04 3 -0.04836335e-08 0.05739804e-11-0.03608573e+06 0.05367920e+02 4 naf2- 81092f 2na 1e 1 g 0300.00 5000.00 1000.00 1 0.07032279e+02 0.05655084e-02-0.02615340e-05 0.05285863e-09-0.03900402e-13 2 -0.08272088e+06-0.01028459e+03 0.05382830e+02 0.05231638e-01-0.03350411e-04 3 -0.01169983e-07 0.01291137e-10-0.08232816e+06-0.01928436e+02 4 naf4al 81092al 1f 4na 1 g 0300.00 5000.00 1000.00 1 0.01407161e+03 0.02285303e-01-0.01043457e-04 0.02090484e-08-0.01532874e-12 2 -0.02260449e+07-0.04013149e+03 0.08103421e+02 0.01881143e+00-0.01205279e-03 3 -0.03477927e-07 0.04123038e-10-0.02245760e+07-0.09731781e+02 4 nah 80792h 1na 1 g 0300.00 5000.00 1000.00 1 0.03818649e+02 0.08597439e-02-0.03202059e-05 0.06146711e-09-0.04364567e-13 2 0.01368120e+06 0.04367959e+01 0.02864363e+02 0.03308582e-01-0.02753919e-04 3 0.01399522e-07-0.04032581e-11 0.01396756e+06 0.05450493e+02 4 nai(s) 81292i 1na 1 s 0300.00 2000.00 1000.00 1 0.05987605e+02 0.01342139e-01-0.03807255e-06 0.01660138e-09-0.06066889e-13 2 -0.03648630e+06-0.02270427e+03 0.05407032e+02 0.04235908e-01-0.05679955e-04 3 0.04941357e-07-0.01602135e-10-0.03638396e+06-0.02000921e+03 4 nao 80792na 1o 1 g 0300.00 5000.00 1000.00 1 0.04349803e+02 0.02849959e-02-0.08615992e-06 0.01754054e-09-0.01301677e-13 2 0.08731694e+05 0.02618339e+02 0.03765728e+02 0.01980031e-01-0.01256303e-04 3 -0.03909831e-08 0.04664039e-11 0.08866889e+05 0.05562273e+02 4 nao- 80792na 1o 1e 1 g 0300.00 5000.00 1000.00 1 0.04343846e+02 0.02955424e-02-0.08923111e-06 0.01813572e-09-0.01343290e-13 2 -0.01592823e+06 0.01245911e+02 0.03740064e+02 0.02044313e-01-0.01291719e-04 3 -0.04080754e-08 0.04823669e-11-0.01578820e+06 0.04290303e+02 4 nao2(s) 81092na 1o 2 s 0300.00 2000.00 1000.00 1 0.07379480e+02 0.04377048e-01 0.06355202e-05-0.03238946e-08 0.06014399e-12 2 -0.03376432e+06-0.02946090e+03 0.07236605e+02 0.04751740e-01 0.03458707e-05 3 -0.02971627e-08 0.09124652e-12-0.03372514e+06-0.02872050e+03 4 nao2al(s) 81292al 1na 1o 2 s 0300.00 3000.00 1000.00 1 0.09963634e+02 0.02329677e-01-0.08188510e-07 0.02070425e-09-0.02306699e-12 2 -0.01394255e+07-0.04932653e+03 0.03669741e+02 0.02226343e+00-0.01558734e-03 3 -0.03446683e-07 0.05383614e-10-0.01381199e+07-0.01818990e+03 4 naoh 80792h 1na 1o 1 g 0300.00 5000.00 1000.00 1 0.05527852e+02 0.01420623e-01-0.04439615e-05 0.06635639e-09-0.03866820e-13 2 -0.02545869e+06-0.04374785e+02 0.04727895e+02 0.05001262e-01-0.04534391e-04 3 0.07051240e-08 0.06671123e-11-0.02537947e+06-0.07649678e+01 4 naoh(l) 81092h 1na 1o 1 l 0300.00 2500.00 1000.00 1 0.01061400e+03-0.03116447e-02-0.02964198e-05 0.05475463e-09 0.01021178e-12 2 -0.05327943e+06-0.05120959e+03 0.01079389e+03-0.08545728e-02 0.03780039e-05 3 -0.03848777e-08 0.01384542e-11-0.05332840e+06-0.05213201e+03 4 naoh+ 80792h 1na 1o 1e -1g 0300.00 5000.00 1000.00 1 0.05570452e+02 0.01387979e-01-0.04311444e-05 0.06372652e-09-0.03648954e-13 2 0.07985595e+06-0.02878876e+02 0.04974624e+02 0.04424591e-01-0.04296418e-04 3 0.01067747e-07 0.04168198e-11 0.07988680e+06-0.03068088e+01 4 ncn 103190c 1n 2 g 0300.00 4000.00 1500.00 1 0.06652121e+02 0.06108034e-02-0.01389727e-05 0.02695549e-10 0.01669944e-13 2 0.05172403e+06-0.01138517e+03 0.03101270e+02 0.09981674e-01-0.09920701e-04 3 0.04758919e-07-0.08968626e-11 0.05285757e+06 0.07317579e+02 4 nco 110193c 1n 1o 1 g 0300.00 4000.00 1400.00 1 0.06072346e+02 0.09227829e-02-0.09845574e-06-0.04764123e-09 0.09090445e-13 2 0.01359820e+06-0.08507293e+02 0.03359593e+02 0.05393239e-01-0.08144585e-05 3 -0.01912868e-07 0.07836794e-11 0.01462809e+06 0.06549694e+02 4 nf 121286n 1f 1 g 0300.00 5000.00 1000.00 1 0.03862177e+02 0.07551806e-02-0.03044943e-05 0.05874447e-09-0.04187479e-13 2 0.02867243e+06 0.03457233e+02 0.02871947e+02 0.03312193e-01-0.02691159e-04 3 0.01121951e-07-0.02475131e-11 0.02896257e+06 0.08640247e+02 4 nfo 121286n 1f 1o 1 g 0300.00 5000.00 1000.00 1 0.05174520e+02 0.01938472e-01-0.08222701e-05 0.01564291e-08-0.01104497e-12 2 -0.09670935e+05-0.05352461e+01 0.03352307e+02 0.07229966e-01-0.06951137e-04 3 0.03828526e-07-0.01023558e-10-0.09167035e+05 0.08854189e+02 4 nfo2 121286n 1f 1o 2 g 0300.00 5000.00 1000.00 1 0.06816857e+02 0.03462640e-01-0.01492216e-04 0.02869665e-08-0.02041857e-12 2 -0.01560262e+06-0.09320129e+02 0.02447529e+02 0.01544110e+00-0.01300595e-03 3 0.04856383e-07-0.06852266e-11-0.01439400e+06 0.01328360e+03 4 nh 31387h 1n 1 g 0300.00 5000.00 1000.00 1 0.02760249e+02 0.01375346e-01-0.04451914e-05 0.07692792e-09-0.05017592e-13 2 0.04207828e+06 0.05857199e+02 0.03339758e+02 0.01253009e-01-0.03491646e-04 3 0.04218812e-07-0.01557618e-10 0.04185047e+06 0.02507181e+02 4 nh2 121686n 1h 2 g 0300.00 5000.00 1000.00 1 0.02961311e+02 0.02932699e-01-0.09063600e-05 0.01617257e-08-0.01204200e-12 2 0.02191977e+06 0.05777878e+02 0.03432493e+02 0.03299540e-01-0.06613600e-04 3 0.08590947e-07-0.03572047e-10 0.02177228e+06 0.03090111e+02 4 nh3 121386n 1h 3 g 0300.00 5000.00 1000.00 1 0.02461904e+02 0.06059166e-01-0.02004977e-04 0.03136003e-08-0.01938317e-12 2 -0.06493270e+05 0.07472097e+02 0.02204352e+02 0.01011476e+00-0.01465265e-03 3 0.01447235e-06-0.05328509e-10-0.06525488e+05 0.08127138e+02 4 nnh 120186n 2h 1 g 0250.00 4000.00 1000.00 1 0.04415342e+02 0.01614388e-01-0.01632894e-05-0.08559846e-09 0.01614791e-12 2 0.02788029e+06 0.09042888e+01 0.03501344e+02 0.02053587e-01 0.07170410e-05 3 0.04921348e-08-0.09671170e-11 0.02833347e+06 0.06391837e+02 4 no 121286n 1o 1 g 0300.00 5000.00 1000.00 1 0.03245435e+02 0.01269138e-01-0.05015890e-05 0.09169283e-09-0.06275419e-13 2 0.09800840e+05 0.06417294e+02 0.03376542e+02 0.01253063e-01-0.03302751e-04 3 0.05217810e-07-0.02446263e-10 0.09817961e+05 0.05829590e+02 4 no+ 121286n 1o 1e -1 g 0300.00 5000.00 1000.00 1 0.02914889e+02 0.01499335e-01-0.05727972e-05 0.01017777e-08-0.06825390e-13 2 0.01181869e+07 0.06844346e+02 0.03297349e+02 0.01422890e-01-0.04007441e-04 3 0.05670551e-07-0.02446972e-10 0.01180834e+07 0.04749948e+02 4 no2 121286n 1o 2 g 0300.00 5000.00 1000.00 1 0.04682859e+02 0.02462429e-01-0.01042259e-04 0.01976902e-08-0.01391717e-12 2 0.02261292e+05 0.09885985e+01 0.02670600e+02 0.07838501e-01-0.08063865e-04 3 0.06161715e-07-0.02320150e-10 0.02896291e+05 0.01161207e+03 4 no2- 121286n 1o 2e 1 g 0300.00 5000.00 1000.00 1 0.05043114e+02 0.02166428e-01-0.09455454e-05 0.01816314e-08-0.01238394e-12 2 -0.02621554e+06-0.01445905e+02 0.02448586e+02 0.08982507e-01-0.07853431e-04 3 0.03927277e-07-0.01071694e-10-0.02545097e+06 0.01213060e+03 4 no3 121286n 1o 3 g 0300.00 5000.00 1000.00 1 0.07120307e+02 0.03246228e-01-0.01431613e-04 0.02797053e-08-0.02013008e-12 2 0.05864479e+05-0.01213730e+03 0.01221076e+02 0.01878797e+00-0.01344321e-03 3 0.01274601e-07 0.01354060e-10 0.07473144e+05 0.01840203e+03 4 o 120186o 1 g 0300.00 5000.00 1000.00 1 0.02542060e+02-0.02755062e-03-0.03102803e-07 0.04551067e-10-0.04368052e-14 2 0.02923080e+06 0.04920308e+02 0.02946429e+02-0.01638166e-01 0.02421032e-04 3 -0.01602843e-07 0.03890696e-11 0.02914764e+06 0.02963995e+02 4 o+ 121286o 1e -1 g 0300.00 5000.00 1000.00 1 0.02501869e+02-0.06107262e-04 0.07324307e-07-0.03438353e-10 0.05506408e-14 2 0.01879553e+07 0.04372827e+02 0.02499273e+02 0.05820598e-04-0.01120922e-06 3 0.08232109e-10-0.01916378e-13 0.01879557e+07 0.04384826e+02 4 o- 90589o 1e 1 g 0300.00 5000.00 1000.00 1 0.02559581e+02-0.07147888e-03 0.03301804e-06-0.06660944e-10 0.04900727e-14 2 0.01148935e+06 0.04426187e+02 0.02747263e+02-0.05724860e-02 0.02712548e-05 3 0.02691512e-08-0.02002357e-11 0.01144395e+06 0.03469852e+02 4 o2 121386o 2 g 0300.00 5000.00 1000.00 1 0.03697578e+02 0.06135197e-02-0.01258842e-05 0.01775281e-09-0.01136435e-13 2 -0.01233930e+05 0.03189166e+02 0.03212936e+02 0.01127486e-01-0.05756150e-05 3 0.01313877e-07-0.08768554e-11-0.01005249e+05 0.06034738e+02 4 o2- 121286o 2e 1 g 0300.00 5000.00 1000.00 1 0.03883013e+02 0.07407872e-02-0.02961776e-05 0.05724305e-09-0.04086548e-13 2 -0.07121644e+05 0.02658212e+02 0.02872292e+02 0.03359716e-01-0.02664886e-04 3 0.09807524e-08-0.01670957e-11-0.06829094e+05 0.07938373e+02 4 o3 121286o 3 g 0300.00 5000.00 1000.00 1 0.05429371e+02 0.01820380e-01-0.07705607e-05 0.01499293e-08-0.01075563e-12 2 0.01523527e+06-0.03266387e+02 0.02462609e+02 0.09582781e-01-0.07087359e-04 3 0.01363368e-07 0.02969647e-11 0.01606152e+06 0.01214187e+03 4 oc(oh)2 103190c 1h 2o 3 g 0300.00 4000.00 1500.00 1 0.01143196e+03 0.02555103e-01-0.04326538e-05-0.05781341e-09 0.01545461e-12 2 -0.07904865e+06-0.03657201e+03 0.03540332e+01 0.03042528e+00-0.02939616e-03 3 0.01452934e-06-0.02906245e-10-0.07522630e+06 0.02250923e+03 4 ochcho 103190c 2h 2o 2 g 0300.00 4000.00 1500.00 1 0.01056843e+03 0.02907353e-01-0.03452401e-05-0.01037593e-08 0.02042135e-12 2 -0.02952623e+06-0.03104084e+03 0.01863564e+02 0.02298297e+00-0.01917997e-03 3 0.08558604e-07-0.01612346e-10-0.02634847e+06 0.01601674e+03 4 ochnnho 103190c 1h 2n 2o 2g 0300.00 4000.00 1500.00 1 0.01241397e+03 0.04091551e-01-0.04547841e-05-0.01752324e-08 0.03271472e-12 2 -0.06754774e+05-0.04078722e+03 0.01405275e+02 0.02776281e+00-0.02088466e-03 3 0.08550259e-07-0.01543486e-10-0.02537631e+05 0.01937723e+03 4 oh 121286o 1h 1 g 0300.00 5000.00 1000.00 1 0.02882730e+02 0.01013974e-01-0.02276877e-05 0.02174684e-09-0.05126305e-14 2 0.03886888e+05 0.05595712e+02 0.03637266e+02 0.01850910e-02-0.01676165e-04 3 0.02387203e-07-0.08431442e-11 0.03606782e+05 0.01358860e+02 4 oh+ 121286o 1h 1e -1 g 0300.00 5000.00 1000.00 1 0.02719059e+02 0.01508571e-01-0.05029369e-05 0.08261952e-09-0.04947453e-13 2 0.01576341e+07 0.06234536e+02 0.03326979e+02 0.01345786e-01-0.03777168e-04 3 0.04687750e-07-0.01780982e-10 0.01574029e+07 0.02744042e+02 4 oh- 121286o 1h 1e 1 g 0300.00 5000.00 1000.00 1 0.02846205e+02 0.01041835e-01-0.02416851e-05 0.02483215e-09-0.07775605e-14 2 -0.01807280e+06 0.04422712e+02 0.03390038e+02 0.07922381e-02-0.01943430e-04 3 0.02001770e-07-0.05702087e-11-0.01830494e+06 0.01249892e+02 4 onhnho 103190h 2n 2o 2 g 0300.00 4000.00 1500.00 1 0.01005510e+03 0.03525461e-01-0.03868362e-05-0.01298654e-08 0.02398500e-12 2 0.07381692e+05-0.02950581e+03 0.07815142e+01 0.02605711e+00-0.02264714e-03 3 0.01049925e-06-0.02012847e-10 0.01062778e+06 0.02017946e+03 4 onhnoh 103190h 2n 2o 2 g 0300.00 4000.00 1500.00 1 0.01120874e+03 0.02650303e-01-0.03760644e-05-0.06355768e-09 0.01466251e-12 2 -0.05721250e+05-0.03476475e+03 0.01053271e+02 0.02809676e+00-0.02637380e-03 3 0.01270757e-06-0.02478550e-10-0.02244769e+05 0.01937011e+03 4 s 121286s 1 g 0300.00 5000.00 1000.00 1 0.02902148e+02-0.05484546e-02 0.02764576e-05-0.05017115e-09 0.03150685e-13 2 0.03249423e+06 0.03838471e+02 0.03187329e+02-0.01595776e-01 0.02005531e-04 3 -0.01507081e-07 0.04931282e-11 0.03242259e+06 0.02414441e+02 4 s(l) 120186s 1 l 0388.36 2000.00 1000.00 1 0.03603667e+02 0.09903341e-02-0.01011441e-04 0.04053633e-08-0.05667914e-12 2 -0.08453839e+04-0.01634471e+03-0.01270631e+03 0.09072521e+00-0.01695179e-02 3 0.01307064e-05-0.03527615e-09 0.01234607e+05 0.05621016e+03 4 s(s) 120186s 1 s 0300.00 0388.36 0388.36 1 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.00000000e+00 0.00000000e+00-0.05063703e+02 0.02881935e-01-0.02133020e-03 3 0.08478786e-05-0.01734497e-07 0.07148263e+04 0.02871407e+03 4 s+ 121286s 1e -1 g 0300.00 5000.00 1000.00 1 0.02404600e+02 0.02410909e-02-0.02041780e-05 0.06592945e-09-0.05756939e-13 2 0.01535223e+07 0.05924256e+02 0.02366101e+02 0.09130767e-02-0.02140284e-04 3 0.02076178e-07-0.07133859e-11 0.01535091e+07 0.05993094e+02 4 s-triazine 41687c 3n 3h 3 g 0300.00 4000.00 1000.00 1 0.01303617e+03 0.07711820e-01-0.07724374e-05-0.04385191e-08 0.08298992e-12 2 0.02251663e+06-0.04777676e+03 0.04493492e+01 0.02728306e+00 0.02309305e-04 3 -0.01496844e-06 0.04546753e-10 0.02703032e+06 0.02178518e+03 4 s2 121386s 2 g 0300.00 5000.00 1000.00 1 0.03904443e+02 0.06925733e-02-0.01233097e-05 0.08783809e-11 0.01374662e-13 2 0.01425693e+06 0.04956834e+02 0.03157673e+02 0.03099480e-01-0.01560746e-04 3 -0.01357891e-07 0.01137444e-10 0.01439187e+06 0.08596062e+02 4 sh 121286s 1h 1 g 0300.00 5000.00 1000.00 1 0.03053810e+02 0.01258884e-01-0.04249169e-05 0.06929591e-09-0.04281691e-13 2 0.01588225e+06 0.05973551e+02 0.04133327e+02-0.03787893e-02-0.02777854e-04 3 0.05370112e-07-0.02394006e-10 0.01555862e+06 0.01611535e+01 4 si 32989si 1 g 0300.00 4000.00 1000.00 1 0.02775846e+02-0.06213257e-02 0.04843696e-05-0.01275615e-08 0.01134482e-12 2 0.05339791e+06 0.04543298e+02 0.03113515e+02-0.02330991e-01 0.03518531e-04 3 -0.02417573e-07 0.06391902e-11 0.05335062e+06 0.03009719e+02 4 si(ch3)2 61991h 6c 2si 1 g 0300.00 2500.00 1500.00 1 0.01092572e+03 0.07986807e-01-0.09096208e-06-0.01014552e-07 0.02037989e-11 2 0.01132561e+06-0.02834187e+03 0.02308663e+02 0.02773810e+00-0.01799333e-03 3 0.06733023e-07-0.01154743e-10 0.01442892e+06 0.01819319e+03 4 si(ch3)3 61991h 9c 3si 1 g 0300.00 2500.00 1500.00 1 0.01536389e+03 0.01242119e+00-0.01189769e-05-0.01630302e-07 0.03308576e-11 2 -0.05218398e+05-0.05088962e+03 0.03907073e+02 0.03734813e+00-0.02072025e-03 3 0.06180575e-07-0.08429605e-11-0.01002462e+05 0.01138100e+03 4 si(ch3)3ch2 61991h 11c 4si 1 g 0300.00 2500.00 1500.00 1 0.02061565e+03 0.01408136e+00-0.01497876e-05-0.01748111e-07 0.03468780e-11 2 -0.01240235e+06-0.07596671e+03 0.05258771e+02 0.04995369e+00-0.03393958e-03 3 0.01367592e-06-0.02513506e-10-0.06886708e+05 0.06814728e+02 4 si(ch3)4 61991h 12c 4si 1 g 0300.00 2500.00 1500.00 1 0.02023461e+03 0.01648004e+00-0.01486572e-05-0.02161245e-07 0.04377236e-11 2 -0.03702410e+06-0.07661021e+03 0.05009315e+02 0.04952953e+00-0.02745875e-03 3 0.08231031e-07-0.01137614e-10-0.03140314e+06 0.06187860e+02 4 si(l) 90589si 1 l 0300.00 4500.00 1000.00 1 0.03271263e+02 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 0.04855058e+05-0.01329054e+03 0.03271263e+02 0.00000000e+00 0.00000000e+00 3 0.00000000e+00 0.00000000e+00 0.04855059e+05-0.01329054e+03 4 si(nh2)3 42489si 1n 3h 6 g 0300.00 3000.00 1000.00 1 0.01406550e+03 0.07581744e-01-0.05168510e-05-0.06743626e-08 0.01397926e-11 2 -0.01414403e+06-0.04063874e+03 0.07598413e+02 0.02435266e+00-0.04296202e-04 3 -0.01756007e-06 0.01050102e-09-0.01265343e+06-0.07808647e+02 4 si(nh2)4 22790si 1n 4h 8 g 0300.00 4000.00 1000.00 1 0.02032107e+03 0.08289798e-01-0.07077612e-05-0.04340724e-08 0.07747068e-12 2 -0.05389855e+06-0.07730464e+03 0.08454529e+02 0.03465772e+00-0.04266782e-04 3 -0.02495363e-06 0.01365466e-09-0.05061518e+06-0.01514301e+03 4 si(s) 90589si 1 s 0300.00 2500.00 1000.00 1 0.02530275e+02 0.08522433e-02-0.03223469e-05 0.01280821e-08-0.01850849e-12 2 -0.08395197e+04-0.01251478e+03 0.05746418e+01 0.01026485e+00-0.01775346e-03 3 0.01457500e-06-0.04491292e-10-0.04969951e+04-0.03400243e+02 4 si2 111191si 2 g 0300.00 4000.00 1500.00 1 0.04402888e+02 0.01154530e-02-0.06005177e-06 0.01469072e-09-0.01357408e-13 2 0.07199220e+06 0.02340066e+02 0.03439839e+02 0.03440171e-01-0.04437681e-04 3 0.02559961e-07-0.05474618e-11 0.07222934e+06 0.07148545e+02 4 si2c 112989c 1si 2 g 0300.00 5000.00 1000.00 1 0.06334110e+02 0.01210252e-01-0.06798289e-05 0.02244433e-08-0.02280178e-12 2 0.06227189e+06-0.07770097e+02 0.04157246e+02 0.07031825e-01-0.07263033e-04 3 0.04633583e-07-0.01493448e-10 0.06292421e+06 0.03635126e+02 4 si2cl5 40992si 2cl 5 g 0300.00 4000.00 1500.00 1 0.01800427e+03 0.05920529e-02-0.03159743e-05 0.07962538e-09-0.07553642e-13 2 -0.08208587e+06-0.04815622e+03 0.01218195e+03 0.02086930e+00-0.02723261e-03 3 0.01583266e-06-0.03404617e-10-0.08066122e+06-0.01913372e+03 4 si2cl5h 40992h 1si 2cl 5 g 0300.00 4000.00 1500.00 1 0.01977366e+03 0.01346980e-01-0.04241463e-05 0.05994784e-09-0.03079337e-13 2 -0.01018307e+07-0.05982624e+03 0.01104810e+03 0.02909474e+00-0.03536307e-03 3 0.01998957e-06-0.04259074e-10-0.09941194e+06-0.01536396e+03 4 si2cl6 40992si 2cl 6 g 0300.00 4000.00 1500.00 1 0.02095456e+03 0.06904584e-02-0.03881968e-05 0.01014163e-08-0.09844696e-13 2 -0.01238540e+07-0.06426893e+03 0.01372380e+03 0.02622361e+00-0.03460508e-03 3 0.02024950e-06-0.04371480e-10-0.01221143e+07-0.02834094e+03 4 si2f6 42489si 2f 6 g 0300.00 3000.00 1000.00 1 0.01830048e+03 0.02868753e-01-0.04545577e-05-0.02497900e-08 0.06630658e-12 2 -0.02928185e+07-0.05760425e+03 0.09998134e+02 0.02170314e+00-0.03875092e-04 3 -0.01670252e-06 0.09407529e-10-0.02905483e+07-0.01422886e+03 4 si2h2 111191h 2si 2 g 0300.00 4000.00 1500.00 1 0.08099063e+02 0.01294220e-01-0.02447198e-05-0.01449512e-09 0.05867240e-13 2 0.04476428e+06-0.01877323e+03 0.09668390e+01 0.01932959e+00-0.01825422e-03 3 0.08404012e-07-0.01537228e-10 0.04712241e+06 0.01907609e+03 4 si2h3 90589si 2h 3 g 0300.00 2000.00 1000.00 1 0.07257627e+02 0.05123860e-01-0.07633465e-05-0.06662471e-08 0.02053053e-11 2 0.05062055e+06-0.01031413e+03 0.03335404e+02 0.02155615e+00-0.02933937e-03 3 0.02287785e-06-0.07272827e-10 0.05146157e+06 0.08656853e+02 4 si2h5 90589si 2h 5 g 0300.00 2000.00 1000.00 1 0.08451010e+02 0.09286371e-01-0.01091183e-04-0.01442367e-07 0.04250825e-11 2 0.02472719e+06-0.01710331e+03 0.01578848e+02 0.03549383e+00-0.04267511e-03 3 0.03059177e-06-0.09360425e-10 0.02630550e+06 0.01672073e+03 4 si2h6 90589si 2h 6 g 0300.00 2000.00 1000.00 1 0.08882090e+02 0.01151395e+00-0.01216216e-04-0.01905086e-07 0.05542379e-11 2 0.05967242e+05-0.02265611e+03 0.05301921e+01 0.04184056e+00-0.04685249e-03 3 0.03179525e-06-0.09484526e-10 0.07950598e+05 0.01880453e+03 4 si3 32989si 3 g 0300.00 4000.00 1000.00 1 0.07021585e+02 0.06981538e-02-0.04818729e-05 0.01720754e-08-0.01927025e-12 2 0.07429956e+06-0.08179233e+02 0.05312161e+02 0.05920181e-01-0.05075225e-04 3 0.05303866e-08 0.07031630e-11 0.07469502e+06 0.04036452e+01 4 si3h8 90589si 3h 8 g 0300.00 2000.00 1000.00 1 0.01342277e+03 0.01563632e+00-0.01936565e-04-0.02388330e-07 0.07120030e-11 2 0.09165887e+05-0.04163000e+03 0.06319791e+01 0.06412995e+00-0.07772444e-03 3 0.05486969e-06-0.01646097e-09 0.01209258e+06 0.02133318e+03 4 si3n4(a) 42589n 4si 3 s 0300.00 3000.00 1000.00 1 0.09667453e+02 0.01192721e+00-0.01709282e-04-0.01084607e-07 0.02713018e-11 2 -0.09324734e+06-0.04556492e+03 0.06631384e+02 0.02293929e+00-0.02152876e-03 3 0.01766237e-06-0.06632215e-10-0.09241684e+06-0.03021795e+03 4 sic 112989c 1si 1 g 0300.00 5000.00 1000.00 1 0.05024270e+02-0.04920894e-02 0.03109315e-05-0.06901344e-09 0.05215735e-13 2 0.08531026e+06-0.02478798e+02 0.02427812e+02 0.09551934e-01-0.02796633e-04 3 -0.01360012e-06 0.09196323e-10 0.08546512e+06 0.09179253e+02 4 sic(b) 112989c 1si 1 s 0300.00 4000.00 1000.00 1 0.03548057e+02 0.03636817e-01-0.01734873e-04 0.03912869e-08-0.03337953e-12 2 -0.01018858e+06-0.01967253e+03-0.03551396e+01 0.01599881e+00-0.01393327e-03 3 0.03314914e-07 0.07825957e-11-0.09294352e+05-0.01515388e+01 4 sic2 112989c 2si 1 g 0300.00 5000.00 1000.00 1 0.05753726e+02 0.02067546e-01-0.01132535e-04 0.03106456e-08-0.02799937e-12 2 0.07200461e+06-0.05294927e+02 0.03647725e+02 0.08765100e-01-0.01079869e-03 3 0.07974287e-07-0.02617042e-10 0.07258578e+06 0.05481050e+02 4 sicch 61991h 1c 2si 1 g 0300.00 2500.00 1500.00 1 0.08229114e+02 0.01220783e-01-0.01179375e-05-0.03293923e-09 0.02957217e-13 2 0.06029046e+06-0.01793033e+03 0.03946147e+02 0.01353938e+00-0.01476061e-03 3 0.08141935e-07-0.01743041e-10 0.06163490e+06 0.04400106e+02 4 sich 61991h 1c 1si 1 g 0300.00 2500.00 1500.00 1 0.06212049e+02 0.05590981e-02-0.07015929e-06 0.03497540e-09-0.01203199e-12 2 0.06044180e+06-0.08520574e+02 0.03822068e+02 0.07938745e-01-0.09707239e-04 3 0.05877454e-07-0.01338338e-10 0.06118631e+06 0.03835953e+02 4 sich2 61991h 2c 1si 1 g 0300.00 2500.00 1500.00 1 0.06246250e+02 0.02147775e-01-0.06406396e-06-0.02067218e-08 0.03841890e-12 2 0.03490992e+06-0.08995611e+02 0.02794283e+02 0.01138805e+00-0.01041700e-03 3 0.05368052e-07-0.01132779e-10 0.03606279e+06 0.09246714e+02 4 sich3 61991h 3c 1si 1 g 0300.00 2500.00 1500.00 1 0.06681751e+02 0.03837387e-01-0.06162348e-06-0.04678285e-08 0.09346313e-12 2 0.03472013e+06-0.01022379e+03 0.02444652e+02 0.01367883e+00-0.09266249e-04 3 0.03704818e-07-0.06763833e-11 0.03624755e+06 0.01263619e+03 4 sicl 121986si 1cl 1 g 0300.00 2000.00 1000.00 1 0.04258460e+02 0.04020317e-02-0.02888145e-05 0.01009777e-08-0.01411012e-12 2 0.01775614e+06 0.04134521e+02 0.03096406e+02 0.05738623e-01-0.09740903e-04 3 0.07643597e-07-0.02279179e-10 0.01796795e+06 0.09603212e+02 4 sicl2 121986si 1cl 2 g 0300.00 2000.00 1000.00 1 0.06491205e+02 0.08242384e-02-0.05767737e-05 0.01972405e-08-0.02713757e-12 2 -0.02232408e+06-0.03570531e+02 0.03826666e+02 0.01308296e+00-0.02234087e-03 3 0.01760742e-06-0.05267404e-10-0.02183869e+06 0.08965448e+02 4 sicl2h2 121986si 1h 2cl 2 g 0300.00 2000.00 1000.00 1 0.07727079e+02 0.05034189e-01-0.01095746e-04-0.04419587e-08 0.01631124e-11 2 -0.04028605e+06-0.01170816e+03 0.01100209e+02 0.03262362e+00-0.04691995e-03 3 0.03494565e-06-0.01036285e-09-0.03892087e+06 0.02022693e+03 4 sicl3 121986si 1cl 3 g 0300.00 2000.00 1000.00 1 0.09098097e+02 0.01405353e-01-0.09317005e-05 0.02982296e-08-0.03822011e-12 2 -0.04140193e+06-0.01455012e+03 0.04485691e+02 0.02241754e+00-0.03794196e-03 3 0.02973183e-06-0.08861335e-10-0.04055264e+06 0.07198771e+02 4 sicl3ch2ch 10891c 2cl 3h 5si 1g 0300.00 4000.00 1500.00 1 0.02087242e+03 0.05492755e-01-0.06829558e-05-0.01876697e-08 0.03787112e-12 2 -0.07972510e+06-0.07741949e+03 0.04624781e+02 0.04378379e+00-0.03850522e-03 3 0.01844376e-06-0.03709272e-10-0.07377043e+06 0.01029869e+03 4 sicl3h 121986si 1h 1cl 3 g 0300.00 2000.00 1000.00 1 0.09663121e+02 0.03563368e-01-0.01214911e-04-0.01609009e-09 0.05641710e-12 2 -0.06295557e+06-0.01894777e+03 0.02883770e+02 0.03308241e+00-0.05169241e-03 3 0.03949918e-06-0.01172104e-09-0.06163323e+06 0.01337466e+03 4 sicl4 121986si 1cl 4 g 0300.00 2000.00 1000.00 1 0.01170938e+03 0.01972092e-01-0.01269077e-04 0.03900188e-08-0.04756468e-12 2 -0.08347808e+06-0.02791153e+03 0.05252110e+02 0.03122067e+00-0.05254593e-03 3 0.04102707e-06-0.01219907e-09-0.08228177e+06 0.02575727e+02 4 siclh3 121986si 1h 3cl 1 g 0300.00 2000.00 1000.00 1 0.05964238e+02 0.06278087e-01-0.08205635e-05-0.09280558e-08 0.02796643e-11 2 -0.01854309e+06-0.06395305e+02 0.05057173e+01 0.02703378e+00-0.03301474e-03 3 0.02302732e-06-0.06778703e-10-0.01730819e+06 0.02043167e+03 4 sif 42489si 1f 1 g 0300.00 3000.00 1000.00 1 0.04120067e+02 0.03548821e-02-0.07200222e-06-0.02190434e-09 0.06764591e-13 2 -0.07561378e+05 0.02784246e+02 0.03144948e+02 0.02588557e-01-0.05795912e-05 3 -0.01807279e-07 0.01041172e-10-0.07294439e+05 0.07876774e+02 4 sif(nh2)2 22790si 1f 1n 2h 4g 0300.00 4000.00 1000.00 1 0.01287944e+03 0.04598535e-01-0.04004441e-05-0.02374189e-08 0.04255211e-12 2 -0.05238279e+06-0.03653418e+03 0.07210094e+02 0.01764698e+00-0.02542060e-04 3 -0.01242214e-06 0.06989787e-10-0.05086706e+06-0.07024622e+02 4 sif(nh2)3 42489si 1n 3h 6f 1g 0300.00 3000.00 1000.00 1 0.01611180e+03 0.08329222e-01-0.06023787e-05-0.07470125e-08 0.01570731e-11 2 -0.09137007e+06-0.05098123e+03 0.08388268e+02 0.02746622e+00-0.04455675e-04 3 -0.01955733e-06 0.01140721e-09-0.08947806e+06-0.01138178e+03 4 sif2 42489si 1f 2 g 0300.00 3000.00 1000.00 1 0.06142470e+02 0.07807974e-02-0.01339312e-05-0.06264839e-09 0.01725138e-12 2 -0.07744042e+06-0.04712327e+02 0.03845345e+02 0.06038465e-01-0.01167732e-04 3 -0.04579554e-07 0.02607414e-10-0.07681634e+06 0.07272984e+02 4 sif2(nh2)2 42489si 1n 2h 4f 2g 0300.00 3000.00 1000.00 1 0.01441477e+03 0.06110646e-01-0.04871145e-05-0.05455935e-08 0.01172714e-11 2 -0.01292757e+07-0.04308682e+03 0.07634268e+02 0.02315843e+00-0.04193827e-04 3 -0.01715351e-06 0.01016462e-09-0.01276410e+07-0.08419031e+02 4 sif2n 42489si 1n 1f 2 g 0300.00 3000.00 1000.00 1 0.08687337e+02 0.01193488e-01-0.01992661e-05-0.09951334e-09 0.02704383e-12 2 -0.03463832e+06-0.01494053e+03 0.05102583e+02 0.09456606e-01-0.01819383e-04 3 -0.07309616e-07 0.04178902e-10-0.03367294e+06 0.03734424e+02 4 sif2nh2 42489si 1n 1f 2h 2g 0300.00 3000.00 1000.00 1 0.09872415e+02 0.03722112e-01-0.03271338e-05-0.03321674e-08 0.07293692e-12 2 -0.08751628e+06-0.01899096e+03 0.05890444e+02 0.01285128e+00-0.01863556e-04 3 -0.08718963e-07 0.04848951e-10-0.08644527e+06 0.01756163e+02 4 sif3 42489si 1f 3 g 0300.00 3000.00 1000.00 1 0.08524790e+02 0.01323792e-01-0.02104279e-05-0.01149504e-08 0.03055301e-12 2 -0.01223522e+07-0.01550234e+03 0.04662868e+02 0.01008788e+00-0.01805544e-04 3 -0.07769299e-07 0.04377852e-10-0.01212965e+07 0.04672966e+02 4 sif3nh 42489si 1n 1f 3h 1g 0300.00 3000.00 1000.00 1 0.01163766e+03 0.02880769e-01-0.03357310e-05-0.02584594e-08 0.06162371e-12 2 -0.01295891e+07-0.02590718e+03 0.06013822e+02 0.01597729e+00-0.02791466e-04 3 -0.01214120e-06 0.06927415e-10-0.01280974e+07 0.03316771e+02 4 sif3nh2 42489si 1n 1f 3h 2g 0300.00 3000.00 1000.00 1 0.01210964e+03 0.04383282e-01-0.04142245e-05-0.03989090e-08 0.08958954e-12 2 -0.01641768e+07-0.03046928e+03 0.06229403e+02 0.01778015e+00-0.02612304e-04 3 -0.01267243e-06 0.07044556e-10-0.01625849e+07 0.02045441e+01 4 sif3nhsih3 42489si 2n 1h 4f 3g 0300.00 3000.00 1000.00 1 0.01669941e+03 0.07789785e-01-0.08110570e-05-0.07650199e-08 0.01773956e-11 2 -0.01673412e+07-0.05080007e+03 0.06216046e+02 0.02939330e+00-0.02717745e-04 3 -0.01982878e-06 0.01002768e-09-0.01642282e+07 0.04858261e+02 4 sif3nsih3 42489si 2n 1h 3f 3g 0300.00 3000.00 1000.00 1 0.01599146e+03 0.06371086e-01-0.07256824e-05-0.06292690e-08 0.01495157e-11 2 -0.01331158e+07-0.04495265e+03 0.06404372e+02 0.02601982e+00-0.02491543e-04 3 -0.01769542e-06 0.08919883e-10-0.01302520e+07 0.06002945e+02 4 sif4 41389f 4si 1 g 0300.00 2000.00 1000.00 1 0.09985301e+02 0.03532637e-01-0.01197378e-04-0.01036549e-08 0.08661585e-12 2 -0.01977200e+07-0.02472644e+03 0.02147416e+02 0.03402219e+00-0.04756874e-03 3 0.03252196e-06-0.08819304e-10-0.01960449e+07 0.01346315e+03 4 sifh3 42489si 1f 1h 3 g 0300.00 3000.00 1000.00 1 0.06799678e+02 0.04747086e-01-0.04767067e-05-0.04814665e-08 0.01107761e-11 2 -0.04577024e+06-0.01261433e+03 0.02032190e+02 0.01341363e+00-0.02806381e-05 3 -0.07803291e-07 0.03337474e-10-0.04421627e+06 0.01318768e+03 4 sifnh 42489si 1n 1f 1h 1g 0300.00 3000.00 1000.00 1 0.07163299e+02 0.01521325e-01-0.01536337e-05-0.01195933e-08 0.02684100e-12 2 -0.09065496e+05-0.06764144e+02 0.05390691e+02 0.06071319e-01-0.01359490e-04 3 -0.04267435e-07 0.02603154e-10-0.08644237e+05 0.02272065e+02 4 sifnh2 22790f 1si 1n 1h 2g 0300.00 4000.00 1000.00 1 0.08017582e+02 0.03209103e-01-0.03361364e-05-0.01796537e-08 0.03385552e-12 2 -0.04313426e+06-0.01487024e+03 0.04214050e+02 0.01105423e+00-0.01014725e-04 3 -0.07143728e-07 0.03634923e-10-0.04200629e+06 0.05318890e+02 4 sih 121986si 1h 1 g 0300.00 2000.00 1000.00 1 0.03110430e+02 0.01094946e-01 0.02898629e-06-0.02745104e-08 0.07051799e-12 2 0.04516898e+06 0.04193487e+02 0.03836010e+02-0.02702657e-01 0.06849070e-04 3 -0.05424184e-07 0.01472131e-10 0.04507593e+06 0.09350778e+01 4 sih2 42489si 1h 2 g 0300.00 3000.00 1000.00 1 0.04142390e+02 0.02150191e-01-0.02190730e-05-0.02073725e-08 0.04741018e-12 2 0.03110484e+06 0.02930745e+01 0.03475092e+02 0.02139338e-01 0.07672306e-05 3 0.05217668e-08-0.09898824e-11 0.03147397e+06 0.04436585e+02 4 sih2cl 121986si 1h 2cl 1 g 0300.00 2000.00 1000.00 1 0.05555902e+02 0.04046479e-01-0.06581751e-05-0.05027548e-08 0.01599110e-11 2 0.01912428e+05-0.01906890e+02 0.01699256e+02 0.01961407e+00-0.02622973e-03 3 0.01936417e-06-0.05846399e-10 0.02743662e+05 0.01683133e+03 4 sih2f 42489si 1f 1h 2 g 0300.00 3000.00 1000.00 1 0.06020399e+02 0.03074040e-01-0.03248887e-05-0.03052243e-08 0.07098090e-12 2 -0.02347670e+06-0.05919595e+02 0.02782566e+02 0.09148257e-01-0.04186788e-05 3 -0.05388971e-07 0.02412133e-10-0.02244201e+06 0.01152854e+03 4 sih2f2 42489si 1h 2f 2 g 0300.00 3000.00 1000.00 1 0.07997762e+02 0.03911538e-01-0.04222679e-05-0.03913812e-08 0.09171569e-12 2 -0.09682880e+06-0.01622400e+03 0.02701455e+02 0.01456545e+00-0.01163300e-04 3 -0.09685830e-07 0.04769591e-10-0.09522440e+06 0.01200689e+03 4 sih3 42489si 1h 3 g 0300.00 3000.00 1000.00 1 0.05015906e+02 0.03732750e-01-0.03609053e-05-0.03729193e-08 0.08468490e-12 2 0.02190233e+06-0.04291368e+02 0.02946733e+02 0.06466764e-01 0.05991653e-05 3 -0.02218413e-07 0.03052670e-11 0.02270173e+06 0.07347948e+02 4 sih3nh2 42489si 1n 1h 5 g 0300.00 3000.00 1000.00 1 0.08109945e+02 0.07215753e-01-0.06052251e-05-0.07086088e-08 0.01557864e-11 2 -0.08999782e+05-0.01651650e+03 0.02936348e+02 0.01674704e+00-0.03232859e-05 3 -0.09171970e-07 0.03979516e-10-0.07334716e+05 0.01141437e+03 4 sih3nhsih3 42489si 2n 1h 7 g 0300.00 3000.00 1000.00 1 0.01265296e+03 0.01066748e+00-0.01007336e-04-0.01081222e-07 0.02452364e-11 2 -0.01249721e+06-0.03441428e+03 0.02468750e+02 0.02940255e+00-0.06248179e-05 3 -0.01731462e-06 0.07545261e-10-0.09209690e+05 0.02059560e+03 4 sih3nsih3 42489si 2n 1h 6 g 0300.00 3000.00 1000.00 1 0.01201462e+03 0.09187517e-01-0.09159516e-05-0.09380967e-08 0.02156435e-11 2 0.01965066e+06-0.02978186e+03 0.02827574e+02 0.02580647e+00-0.04200478e-05 3 -0.01503859e-06 0.06388325e-10 0.02265351e+06 0.01997012e+03 4 sih3sih2ch3 111391h 8c 1si 2 g 0300.00 4000.00 1500.00 1 0.01886736e+03 0.06449996e-01-0.06896411e-05-0.02584789e-08 0.04830521e-12 2 -0.06620909e+05-0.07374424e+03 0.02132164e+02 0.04348657e+00-0.03495608e-03 3 0.01588231e-06-0.03150773e-10-0.02040937e+04 0.01752930e+03 4 sih4 121386si 1h 4 g 0300.00 4000.00 1000.00 1 0.06893874e+02 0.04030501e-01-0.04183314e-05-0.02291395e-08 0.04384766e-12 2 0.01107037e+05-0.01749117e+03 0.02475167e+02 0.09003721e-01 0.02185394e-04 3 -0.02681423e-07-0.06621081e-11 0.02925488e+05 0.07751015e+02 4 sihcl2 121986si 1h 1cl 2 g 0300.00 2000.00 1000.00 1 0.07229734e+02 0.02869206e-01-0.08849876e-05-0.07495866e-09 0.05752338e-12 2 -0.01971399e+06-0.07052663e+02 0.02368353e+02 0.02401088e+00-0.03717220e-03 3 0.02851998e-06-0.08530494e-10-0.01875884e+06 0.01614587e+03 4 sihf 42489si 1f 1h 1 g 0300.00 3000.00 1000.00 1 0.05073509e+02 0.01533279e-01-0.01840659e-05-0.01440038e-08 0.03452517e-12 2 -0.01973880e+06-0.01079507e+02 0.03223728e+02 0.04981221e-01-0.03173051e-05 3 -0.02822231e-07 0.01247832e-10-0.01914168e+06 0.08906423e+02 4 sihf2 42489si 1h 1f 2 g 0300.00 3000.00 1000.00 1 0.07216536e+02 0.02253240e-01-0.02737472e-05-0.02173460e-08 0.05255331e-12 2 -0.07280241e+06-0.09783487e+02 0.03377237e+02 0.01036607e+00-0.01239082e-04 3 -0.07267982e-07 0.03794989e-10-0.07168358e+06 0.01052189e+03 4 sihf3 42489si 1h 1f 3 g 0300.00 3000.00 1000.00 1 0.09363567e+02 0.02947556e-01-0.03577633e-05-0.02858224e-08 0.06915729e-12 2 -0.01486074e+07-0.02169453e+03 0.03918053e+02 0.01463917e+00-0.01856070e-04 3 -0.01058200e-06 0.05617543e-10-0.01470439e+07 0.07024261e+02 4 sin 42489si 1n 1 g 0300.00 3000.00 1000.00 1 0.04122909e+02 0.03521458e-02-0.07161081e-06-0.02154956e-09 0.06667571e-13 2 0.05683927e+06 0.02389838e+02 0.03149182e+02 0.02584376e-01-0.05804625e-05 3 -0.01805627e-07 0.01041095e-10 0.05710564e+06 0.07474389e+02 4 sinh 42489si 1n 1h 1 g 0300.00 3000.00 1000.00 1 0.04928801e+02 0.01628624e-01-0.01367197e-05-0.01390460e-08 0.02998969e-12 2 0.01767790e+06-0.02823472e+02 0.03166975e+02 0.05805823e-01-0.09524443e-05 3 -0.03991893e-07 0.02283188e-10 0.01813561e+06 0.06298440e+02 4 sinh2 42489si 1n 1h 2 g 0300.00 3000.00 1000.00 1 0.05186436e+02 0.03016656e-01-0.02165476e-05-0.02722658e-08 0.05706182e-12 2 0.02270508e+06-0.01242140e+02 0.03362770e+02 0.07261176e-01-0.08721233e-05 3 -0.04400014e-07 0.02419532e-10 0.02318446e+06 0.08223867e+02 4 sn 121286s 1n 1 g 0300.00 5000.00 1000.00 1 0.03888287e+02 0.06778427e-02-0.02725309e-05 0.05135927e-09-0.03593836e-13 2 0.03044496e+06 0.04194291e+02 0.03407346e+02 0.01797887e-01-0.02018970e-04 3 0.02107857e-07-0.09527592e-11 0.03062373e+06 0.06821481e+02 4 so 121286s 1o 1 g 0300.00 5000.00 1000.00 1 0.04021078e+02 0.02584856e-02 0.08948142e-06-0.03580145e-09 0.03228430e-13 2 -0.07119620e+04 0.03452523e+02 0.03080401e+02 0.01803106e-01 0.06705022e-05 3 -0.02069005e-07 0.08514657e-11-0.03986163e+04 0.08581028e+02 4 so2 121286s 1o 2 g 0300.00 5000.00 1000.00 1 0.05254498e+02 0.01978545e-01-0.08204226e-05 0.01576383e-08-0.01120451e-12 2 -0.03756886e+06-0.01146056e+02 0.02911439e+02 0.08103022e-01-0.06906710e-04 3 0.03329016e-07-0.08777121e-11-0.03687882e+06 0.01111740e+03 4 so3 121286s 1o 3 g 0300.00 5000.00 1000.00 1 0.07050668e+02 0.03246560e-01-0.01408897e-04 0.02721535e-08-0.01942365e-12 2 -0.05020668e+06-0.01106443e+03 0.02575283e+02 0.01515092e+00-0.01229872e-03 3 0.04240257e-07-0.05266812e-11-0.04894411e+06 0.01219512e+03 4 c6h5och3 3/21/90 thermc 7h 8o 1 0g 300.000 5000.000 1390.000 21 2.08232998e+01 2.01758743e-02-6.90254285e-06 1.07321176e-09-6.23720172e-14 2 -1.87639795e+04-8.86750573e+01-5.45371100e+00 8.73324555e-02-7.35713707e-05 3 3.14739249e-08-5.39445775e-12-1.02712222e+04 5.03122661e+01 4 c2h3cho 4/25/90 c 3h 4o 1 0g 300.000 5000.000 1378.000 11 9.03638358e+00 1.07173229e-02-3.72865825e-06 5.85534250e-10-3.42429200e-14 2 -1.15747718e+04-2.24352026e+01 1.79579919e+00 2.39701736e-02-1.13561865e-05 3 1.66265734e-09 1.44193850e-13-8.67545444e+03 1.77816824e+01 4 mecy14pd3 bozzelli c 6h 7 0 0g 300.000 5000.000 1352.000 11 1.64509401e+01 1.80104599e-02-6.44365088e-06 1.03095614e-09-6.10814842e-14 2 1.54366624e+04-6.72601234e+01-9.87511632e-01 4.83156342e-02-2.09426592e-05 3 6.71221112e-10 1.09340225e-12 2.25173499e+04 3.00704019e+01 4 c-c5h4o burcat c 5h 4o 1 0g 300.000 5000.000 1000.000 1 0.12606535e 02 0.16747067e-01-0.61097587e-05 0.99674576e-09-0.60111834e-13 2 0.14114657e 04-0.42604911e 02 0.23043601e 00 0.32322572e-01 0.28900908e-04 3 -0.70680613e-07 0.33407174e-10 0.55554724e 04 0.25330946e 02 4 c-c5h4oh burcat c 5h 5o 1 0g 300.000 5000.000 1000.000 1 0.13367777e 02 0.15205911e-01-0.54592662e-05 0.88135325e-09-0.52774563e-13 2 0.47218184e 04-0.45920099e 02-0.12820812e 01 0.49040075e-01-0.13687402e-04 3 -0.29134476e-07 0.19006885e-10 0.88893319e 04 0.30797801e 02 4 c6h5ch3 mar95 c 7h 8 0 0g 300.000 5000.000 1389.000 1 1.63091542e 01 2.25331612e-02-7.84281827e-06 1.23200630e-09-7.20675043e-14 2 -2.66241940e 03-6.59814631e 01-4.08982289e 00 6.86477373e-02-4.74716566e-05 3 1.67001205e-08-2.39578007e-12 4.59499696e 03 4.41527734e 01 4 p-xylene l 2/84c 8h 10 0 0g 300.000 5000.000 1000.000 1 0.15268401e+02 0.34433573e-01-0.13685810e-04 0.21177802e-08-0.11564062e-12 2 -0.61602461e+04-0.59529587e+02-0.16422014e+01 0.58058664e-01 0.55675910e-05 3 -0.45693085e-07 0.21727536e-10 0.10412372e+03 0.34509140e+02 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 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 bibenzyl c 14h 14 0 0g 300.000 5000.000 1392.000 21 3.48131330e+01 3.78396057e-02-1.27934440e-05 1.97366490e-09-1.14091685e-13 2 -3.11362732e+02-1.63384186e+02-1.05318902e+01 1.48504587e-01-1.15713218e-04 3 4.52836955e-08-7.06388895e-12 1.47378885e+04 7.80962493e+01 4 hoc6h4ch3 avg cresol c 7h 8o 1 0g 300.000 5000.000 1400.000 21 1.97311724e+01 2.12245074e-02-7.27602659e-06 1.13158989e-09-6.57395287e-14 2 -2.50451776e+04-8.18783394e+01-4.17663565e+00 8.29479164e-02-6.92618926e-05 3 2.97047387e-08-5.12027914e-12-1.73715284e+04 4.43681107e+01 4 oc6h4ch3 avg cresol c 7h 7o 1 0g 300.000 5000.000 1398.000 11 2.00333477e+01 1.83142467e-02-6.17265091e-06 9.50353551e-10-5.48634044e-14 2 -7.76864165e+03-8.60606102e+01-3.82920147e+00 7.73376217e-02-6.15929083e-05 3 2.43728641e-08-3.80779615e-12 2.89377185e+01 4.06647799e+01 4 c-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 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 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 c6h5ch2 troe,jpc,1990 c 7h 7 0 0g 300.000 5000.000 1392.000 11 1.77752663e+01 1.88366755e-02-6.58968982e-06 1.03873424e-09-6.09096279e-14 2 1.65061292e+04-7.37168331e+01-3.82523574e+00 7.22854694e-02-5.81397283e-05 3 2.40211852e-08-4.03015544e-12 2.37153019e+04 4.12436407e+01 4 o(d) o 1 g 300. 5000. 1000. 1 2.49992454e 00 0.00000000e 00 0.00000000e 00 0.00000000e 00 0.00000000e 00 2 5.19403605e 04 4.62560195e 00 2.49992452e 00 0.00000000e 00 0.00000000e 00 3 0.00000000e 00 0.00000000e 00 5.19403605e 04 4.62560195e 00 4 noo n 1o 2 g 300. 5000. 1000. 1 4.40700121e 00-1.39051289e-02 6.24500162e-05-6.20949231e-08 1.72794309e-11 2 4.97913000e 04 6.85846782e 00 4.40700121e 00-1.39051289e-02 6.24500162e-05 3 -6.20949231e-08 1.72794309e-11 4.97913000e 04 6.85846782e 00 4 hoono h 1n 1o 3 g 300. 5000. 1000. 1 5.50051847e 00-1.32444390e-02 7.70135868e-05-7.91256153e-08 2.22853935e-11 2 -1.78715600e 03 4.61970659e 00 5.50051847e 00-1.32444390e-02 7.70135868e-05 3 -7.91256153e-08 2.22853935e-11-1.78715600e 03 4.61970659e 00 4 hnno h 1n 2o 1 g 300. 5000. 1000. 1 4.42895600e 00-3.10773617e-03 3.03296425e-05-3.19672265e-08 9.16432217e-12 2 2.63854600e 04 5.86167433e 00 4.42895600e 00-3.10773617e-03 3.03296425e-05 3 -3.19672265e-08 9.16432217e-12 2.63854600e 04 5.86167433e 00 4 hono 31787h 1n 1o 2 g 300. 5000. 1000. 1 0.05486892e 02 0.04218064e-01-0.16491426e-05 0.02971876e-08-0.02021148e-12 2 -0.11268646e 05-0.02997002e 02 0.02290413e 02 0.14099223e-01-0.13678717e-04 3 0.07498780e-07-0.01876905e-10-0.10431945e 05 0.13280769e 02 4 ic4h7oh 4/ 9/91 c 4h 8o 1 0g 300.000 5000.000 1404.000 31 1.02990260e+01 1.42844129e-02-4.91772365e-06 9.36381943e-10-6.64315003e-14 2 -2.66573987e+04-3.80921303e+01 1.30333262e+00 3.47403852e-02-2.32258747e-05 3 8.65825526e-09-1.35478770e-12-2.33946908e+04 1.05527461e+01 4 ic4h7o 4/ 9/91 c 4h 7o 1 0g 300.000 5000.000 1403.000 21 9.48417671e+00 1.31009062e-02-4.32434648e-06 8.02040394e-10-5.63147904e-14 2 -1.02173544e+02-3.41947251e+01 1.32646878e+00 3.15163503e-02-2.06543720e-05 3 7.62311192e-09-1.18481939e-12 2.87093070e+03 9.96818073e+00 4 ch2ch2cch mar94 c 4h 5 0 0g 300.000 5000.000 1470.000 1 1.11211847e 01 1.13387975e-02-3.91752331e-06 6.13047886e-10-3.57865789e-14 2 4.16036938e 04-3.36315199e 01 4.13862228e 00 1.84954935e-02 1.07206988e-06 3 -7.24877475e-09 2.24572202e-12 4.48979730e 04 7.04213265e 04 4 chocho therm c 2h 2o 2 0g 300. 5000. 1396. 1 9.75438561e 00 4.97645947e-03-1.74410483e-06 2.75586994e-10-1.61969892e-14 2 -2.95832896e 04-2.48038370e 01 1.88105121e 00 2.36386368e-02-1.83443295e-05 3 6.84842963e-09-9.92733674e-13-2.69280190e 04 1.72994753e 01 4 choco therm c 2h 1o 2 0g 300. 5000. 1403. 1 9.76640338e 00 2.53101749e-03-9.22954447e-07 1.49549475e-10-8.93877652e-15 2 -1.21992629e 04-2.31985762e 01 2.52290494e 00 2.16391004e-02-2.02042709e-05 3 8.94488552e-09-1.53199727e-12-9.95707476e 03 1.48372933e 01 4 nc3h7 mar97c 3h 7 0 0g 300. 5000. 1390. 1 9.43799350e 00 1.47160681e-02-5.03338420e-06 7.81317497e-10-4.35209260e-14 2 7.27396508e 03-2.60136738e 01 1.13366571e-01 3.54171389e-02-2.28073697e-05 3 7.88746806e-09-1.16856961e-12 1.06821595e 04 2.45520758e 01 4 ic3h7 mar97c 3h 7 0 0g 300. 5000. 1373. 1 9.73563939e 00 1.43303634e-02-4.88106037e-06 7.56304810e-10-4.38380156e-14 2 5.67000911e 03-2.78414926e 01 5.86358461e-01 3.21021065e-02-1.69517004e-05 3 3.98986301e-09-2.87510333e-13 9.26003586e 03 2.26632577e 01 4 c3h6o l 4/77c 3h 6o 1 0g 300. 5000. 1000. 1 0.87072573e 01 0.15987653e-01-0.53762797e-05 0.79422535e-09-0.42212622e-13 2 -0.69370352e 04-0.22579315e 02 0.48378503e 00 0.28574701e-01 0.28022350e-05 3 -0.22371523e-07 0.10581544e-10-0.40665557e 04 0.22616104e 02 4 c6h10 mar92 c 6h 10 0g 300. 5000. 1395. 1 1.67186192e 01 2.30179407e-02-7.81866308e-06 1.20831815e-09-6.98826125e-14 2 1.74306625e 03-6.33456215e 01-1.80013527e 00 6.71111879e-02 4.84054490e-05 3 1.84055726e-08-2.89367813e-12 8.10249521e 03 3.58351765e 01 4 c6h9 mar92 c 6h 9 0g 300. 5000. 1383. 1 1.61615627e 01 2.05601080e-02-6.89948659e-06 1.05842496e-09-6.09260055e-14 2 2.53408263e 04-5.48509782e 01-3.49980956e-01 5.64088337e-02-3.52929549e-05 3 1.06678360e-08-1.20314794e-12 3.12955954e 04 2.97074010e 01 4 chchchch mar92 c 4h 4 0g 300. 5000. 1443. 1 1.22305617e 01 8.84066390e-03-3.17811497e-06 5.10137185e-10-3.02935854e-14 2 6.21763134e 04-3.89509708e 01 5.15535959e 00 1.46610597e-02 5.16307393e-06 3 -9.90787537e-09 2.87827717e-12 6.56248639e 04 2.71596090e 00 4 l-c5h8 t 2/92c 5h 8 0 0g 298.15 3000. 1000. 1 0.19403114e 02 0.96325407e-02-0.15683147e-05 0.00000000e 00 0.00000000e 00 2 0.20635571e 03-0.80798713e 02-0.30882087e 00 0.48355898e-01-0.22284758e-04 3 0.00000000e 00 0.00000000e 00 0.72982329e 04 0.26828785e 02 4 l-c5h7 t 2/92c 5h 7 0 0g 298.15 3000. 1000. 1 0.18941353e 02 0.85102411e-02-0.14014643e-05 0.00000000e 00 0.00000000e 00 2 0.18109184e 05-0.78403470e 02-0.56457147e 00 0.48115796e-01-0.23131123e-04 3 0.00000000e 00 0.00000000e 00 0.24904574e 05 0.27439042e 02 4 cyc6h7 mar94 c 6h 7 0 0g 300.00 5000. 1378.00 1 1.62179737e 01 1.76354762e-02-6.10140365e-06 9.55946476e-10-5.58580718e-14 2 1.64611253e+04-6.76882854e+01-5.92510435e+00 6.58626515e-02-4.35988397e-05 3 1.28973156e-08-1.26423888e-12 2.43278179e+04 5.21888505e+01 4 cyc6h8 burct c 6h 8 0 0g 200.00 6000. 1000.00 1 0.11779870e+02 0.25519980e-01-0.92666947e-05 0.15068122e-08-0.90658701e-13 2 0.65486686e+04-0.41618805e 02 0.17265319e 01 0.14887612e-01 0.94809230e-04 3 -0.14083394e-06 0.58859873e-10 0.11021297e 05 0.19130886e 02 4 c4h8-2 burct c 4h 8 0 0g 300.00 5000. 1000.00 1 0.82797676e 00 0.35864539e-01-0.16634498e-04 0.34732759e-08-0.26657398e-12 2 -0.30521033e 04 0.21355710e 02 0.12594252e 01 0.27808424e-01 0.87013932e-05 3 -0.24402205e-07 0.98977710e-11-0.29647742e 04 0.20514290e 02 4 c4h8-1 burct c 4h 8 0 0g 300.00 5000. 1000.00 1 0.20535841e 01 0.34350507e-01-0.15883197e-04 0.33089662e-08-0.25361045e-12 2 -0.21397231e 04 0.15556360e 02 0.11811380e 01 0.30853380e-01 0.50865247e-05 3 -0.24654888e-07 0.11110193e-10-0.17904004e 04 0.21075639e 02 4 ch3chco mar94 c 3h 4o 1 0g 300.00 5000. 1392. 1 9.40386796e 00 9.90994860e-03-3.34130605e-06 5.13787016e-10-2.96102254e-14 2 -1.42771281e 04-2.42902025e 01 2.69187311e 00 2.49761396e-02-1.61712107e-05 3 5.46391115e-09-7.62496644e-13-1.18758805e 04 1.19898101e 01 4 h2cchco mar94 c 3h 3o 1 0g 300.00 5000. 1387. 1 9.98488581e 00 7.41421822e-03-2.60020164e-06 4.10510515e-10-2.40965108e-14 2 2.32744789e 03-2.72603529e 01 1.93844931e 00 2.81736198e-02-2.40080561e-05 3 1.07680466e-08-1.96954458e-12 4.97456651e 03 1.53411361e 01 4 ch2chcho mar94 c 3h 4o 1 0g 300.00 5000. 1389. 1 9.95950056e 00 9.86563039e-03-3.42048051e-06 5.35978370e-10-3.13001966e-14 2 -1.27456196e 04-2.82995864e 01 5.80467878e-01 3.16384674e-02-2.27932718e-05 3 8.42301579e-09-1.27327985e-12-9.47146816e 03 2.21264233e 01 4 ch2chco mar94 c 3h 3o 1 0g 300.00 5000. 1391. 1 9.48105566e 00 7.77714755e-03-2.71155669e-06 4.26495971e-10-2.49722495e-14 2 3.20858016e 03-2.42916680e 01 7.83370450e-01 2.90353899e-02-2.28846927e-05 3 9.25645234e-09-1.52213238e-12 6.13409525e 03 2.20858902e 01 4 ch3cco mar94 c 3h 3o 1 0g 300.00 5000. 2011. 1 9.30308487e 00 8.23882150e-03-2.96691877e-06 4.78600459e-10-2.85617108e-14 2 1.29322960e 04-1.93676016e 01 5.05329133e 00 1.62862375e-02-7.58306845e-06 3 1.09472318e-09 7.68526236e-14 1.45076626e 04 4.00749146e 00 4 c10h10 mar94 c 10h 10 0 0g 300.000 5000. 1394. 1 2.29880333e 01 2.98673083e-02-1.03408159e-05 1.61884929e-09-9.44755534e-14 2 3.83422928e 03-1.04059080e 02-7.70165798e 00 1.04115841e-01-7.97562323e-05 3 3.14343302e-08-5.04355723e-12 1.42169008e 04 5.98250716e 01 4 c10h9 mar94 c 10h 9 0 0g 300.000 5000. 1392. 1 2.27884959e 01 2.78271679e-02-9.71214416e-06 1.52855130e-09-8.95351533e-14 2 1.71260507e 04-1.04051271e 02-7.41682284e 00 1.01265732e-01-7.90577209e-05 3 3.17566399e-08-5.19920372e-12 2.73369737e 04 5.71663310e 01 4 c10h8 mar94 c 10h 8 0 0g 300.000 5000. 1389. 1 2.26796811e 01 2.56406162e-02-9.01884317e-06 1.42679026e-09-8.38746748e-14 2 7.15869139e 03-1.04560335e 02-7.22113353e 00 9.86835940e-02-7.85937984e-05 3 3.21311283e-08-5.35095416e-12 1.72527463e 04 5.49455699e 01 4 c6h4c2h3 mar94 c 8h 7 0 0g 300.000 5000. 1394. 1 1.74540862e 01 2.22040686e-02-9.33350484e-06 1.73528698e-09-1.13685613e-13 2 3.87604904e 04-6.90454166e 01-5.18004315e 00 8.45709724e-02-7.57339260e-05 3 3.38554022e-08-6.01465106e-12 4.55621698e 04 4.89682087e 01 4 c10h7 mar94 c 10h 7 0 0g 300.000 5000. 1389. 1 2.22235498e 01 2.34663062e-02-8.26559343e-06 1.30886197e-09-7.69933613e-14 2 3.63115865e 04-1.00121829e 02-6.19596125e 00 9.30891227e-02-7.46790703e-05 3 3.06107166e-08-5.09475752e-12 4.58706382e 04 5.13865103e 01 4 c6h4c2h mar96 c 8h 5 0 0g 300.000 5000. 1383. 1 1.78869579e 01 1.60575515e-02-5.60587863e-06 8.82936244e-10-5.17596889e-14 2 6.07266634e 04-7.10648534e 01-1.40495302e 00 6.16641167e-02-4.69506280e-05 3 1.80221804e-08-2.79604787e-12 6.73490085e 04 3.23177794e 01 4 c10h7o mar94 c 10h 7o 1 0g 300.000 5000. 1402. 1 2.73202720e 01 2.06287145e-02-7.07119840e-06 1.10136964e-09-6.41024638e-14 2 1.22677534e 03-1.24813148e 02-3.96924112e 00 9.54479821e-02-7.37031626e-05 3 2.72312623e-08-3.85415426e-12 1.16368615e 04 4.21473784e 01 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 ch2 llnl94c 1h 2 0 0g 300.000 5000.000 1350.000 1 3.44310466e+00 2.32638011e-03-5.33147998e-07 5.74043968e-11-2.42694849e-15 2 4.59375743e+04 3.23484714e+00 3.49623989e+00 2.20258645e-03-4.23828799e-07 3 1.36484706e-11 4.31937372e-15 4.59192771e+04 2.94964354e+00 4 ch2(s) adjnbrc 1h 2 0 0g 300.000 5000.000 1359.000 1 3.09627180e+00 2.80839185e-03-7.13614526e-07 8.42136298e-11-3.84640828e-15 2 5.05739697e+04 4.31392269e+00 3.32340701e+00 2.28062579e-03-2.48156016e-07 3 -1.02065386e-10 2.48826619e-14 5.04954469e+04 3.09401497e+00 4 sch2 adjnbrc 1h 2 0 0g 300.000 5000.000 1359.000 1 3.09627180e+00 2.80839185e-03-7.13614526e-07 8.42136298e-11-3.84640828e-15 2 5.03726612e+04 4.31392269e+00 3.32340701e+00 2.28062579e-03-2.48156016e-07 3 -1.02065386e-10 2.48826619e-14 5.04954469e+04 3.09401497e+00 4 c10h7ch3 mar94 c 11h 10 0 0g 300.000 5000.000 1388.000 1 2.51695452e 01 3.06623666e-02-1.07325255e-05 1.69233411e-09-9.92571012e-14 2 1.89171186e 03-1.15036002e 02-5.83569401e 00 1.02894702e-01-7.55130040e-05 3 2.84055718e-08-4.37865877e-12 1.27117089e 04 5.16088842e 01 4 c10h7ch2 mar94 c 11h 9 0 0g 300.000 5000.000 1389.000 1 2.66596107e 01 2.69903845e-02-9.49827903e-06 1.50313533e-09-8.83831941e-14 2 2.10180607e 04-1.22975161e 02-5.51514480e 00 1.06245066e-01-8.57510752e-05 3 3.55122444e-08-5.98055713e-12 3.18146452e 04 4.84291679e 01 4 ch3chcch2 mar94 c 4h 6 0 0g 300.000 5000.000 1390.000 1 1.05039680e 01 1.41242631e-02-4.80637221e-06 7.43634992e-10-4.30400365e-14 2 1.37697076e 04-3.19920950e 01 1.13142053e 00 3.44939157e-02-2.14418290e-05 3 6.84195879e-09-8.94244064e-13 1.72036953e 04 1.89295803e 01 4 ch3c6h4ch3 mar94 c 8h 10 0 0g 300.000 5000.000 1383.000 1 1.92046481e 01 2.71029914e-02-9.38013521e-06 1.46814883e-09-8.56704312e-14 2 -8.13026514e 03-8.02552319e 01-2.93330687e 00 7.33286252e-02-4.41794558e-05 3 1.24389436e-08-1.24795155e-12 1.05473316e 02 4.05862967e 01 4 ch3c6h4ch2 mar94 c 8h 9 0 0g 300.000 5000.000 1390.000 1 2.02877023e 01 2.38848411e-02-8.23202298e-06 1.30847851e-09-7.65835818e-14 2 1.12047828e 04-8.57677163e 01-2.37164288e 00 7.61932716e-02-5.46335287e-05 3 2.00939215e-08-3.02944543e-12 1.91590196e 04 3.61877664e 01 4 flrnthn c 16h 10 0 0g 300.000 5000.000 1393.000 01 3.61459490e+01 3.43535281e-02-1.19815211e-05 1.88549603e-09-1.10454694e-13 2 1.72902637e+04-1.76942587e+02-1.03602843e+01 1.51242775e-01-1.25613062e-04 3 5.25039366e-08-8.78103946e-12 3.24950912e+04 6.97013658e+01 4 phnthrn c 14h 10 0 0g 300.000 5000.000 1388.000 01 3.15659624e+01 3.37289576e-02-1.18905510e-05 1.88392365e-09-1.10863384e-13 2 8.86825879e+03-1.53073877e+02-9.00855994e+00 1.33073568e-01-1.06795088e-04 3 4.39063506e-08-7.34436815e-12 2.25433546e+04 6.32918026e+01 4 pyrene c 16h 10 0 0g 300.000 5000.000 1391.000 01 3.60823716e+01 3.51095189e-02-1.23958908e-05 1.96603433e-09-1.15781467e-13 2 9.12869539e+03-1.79465355e+02-1.25665491e+01 1.59372104e-01-1.36490898e-04 3 5.92020337e-08-1.03027934e-11 2.49536627e+04 7.80357719e+01 4 benzoap c 20h 12 0 0g 300.000 5000.000 1167.000 01 3.82272598e+01 5.25381102e-02-1.96586297e-05 3.25447920e-09-1.97184422e-13 2 1.65081977e+04-1.89637964e+02-2.33182328e+01 2.16807575e-01-1.83897683e-04 3 7.63202866e-08-1.23863423e-11 3.48802109e+04 1.32086823e+02 4 acenphthln c 12h 8 0 0g 300.000 5000.000 1390.000 01 2.70147843e+01 2.71828096e-02-9.58112341e-06 1.51787074e-09-8.93170047e-14 2 1.74962536e+04-1.26903759e+02-7.67193410e+00 1.13933755e-01-9.43421073e-05 3 3.98406319e-08-6.79990064e-12 2.89828827e+04 5.73814946e+01 4 phnthryl-1 c 14h 9 0 0g 300.000 5000.000 1388.000 01 3.11112233e+01 3.15523946e-02-1.11362962e-05 1.76581548e-09-1.03970689e-13 2 3.71953570e+04-1.49327463e+02-7.98403141e+00 1.27481462e-01-1.02881728e-04 3 4.23852392e-08-7.08773054e-12 5.03359816e+04 5.90513227e+01 4 pyrenyl c 16h 9 0 0g 300.000 5000.000 1392.000 01 3.56274232e+01 3.29333652e-02-1.16418258e-05 1.84796063e-09-1.08890969e-13 2 3.46879738e+04-1.75028062e+02-1.15392685e+01 1.53769911e-01-1.32564180e-04 3 5.76733967e-08-1.00446160e-11 4.99778218e+04 7.44715705e+01 4 biphenyl burct c 12h 10 0 0g 300.000 5000.000 1000.000 1 0.24289017e 02 0.34006648e-01-0.11722408e-04 0.17729298e-08-0.96812532e-13 2 0.10287000e 05-0.10802374e 03-0.40739527e 01 0.86973310e-01-0.42353613e-05 3 -0.64564460e-07 0.34150169e-10 0.19405965e 05 0.44741348e 02 4 obphnyl burct c 12h 9 0 0g 300.000 5000.000 1000.000 1 0.23851303e 02 0.31960227e-01-0.11076719e-04 0.16847825e-08-0.92641173e-13 2 0.40171297e 05-0.10270549e 03-0.31376228e 01 0.82217276e-01-0.40171444e-05 3 -0.60809782e-07 0.32074482e-10 0.48868754e 05 0.42730362e 02 4 anthracn mar95 c 14h 10 0 0g 300.000 5000.000 1388.000 1 3.15659624e 01 3.37289576e-02-1.18905510e-05 1.88392365e-09-1.10863384e-13 2 1.16966433e 04-1.53763359e 02-9.00855994e 00 1.33073568e-01-1.06795088e-04 3 4.39063506e-08-7.34436815e-12 2.53717391e 04 6.26023210e 01 4 c-c5h7 c 5h 7 0 0g 300.000 5000.000 1416.000 1 1.36845117e 01 1.64476117e-02-5.50085934e-06 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3.06461078e-02-1.85122863e-05 3 5.42911898e-09-6.26422677e-13 1.90625146e+04 1.14875061e+01 4 c.*coohc 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1382.000 41 1.35806279e+01 1.06916810e-02-3.72464404e-06 5.85582560e-10-3.42783947e-14 2 1.60116548e+04-4.09140993e+01 3.29219912e+00 3.54882102e-02-2.74243921e-05 3 1.12769787e-08-1.93557244e-12 1.95694106e+04 1.41752272e+01 4 c*coohc. 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1387.000 31 1.41209561e+01 1.06806276e-02-3.72634785e-06 5.86454772e-10-3.43547383e-14 2 4.14267531e+03-4.58890542e+01 1.41398736e+00 4.36915869e-02-3.77522335e-05 3 1.69385181e-08-3.07492244e-12 8.27014121e+03 2.12566515e+01 4 c*coo.c 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1379.000 31 1.12450443e+01 1.29380264e-02-4.46171790e-06 6.96541751e-10-4.05686706e-14 2 5.16843661e+03-2.81059161e+01 3.38123454e+00 2.99682926e-02-1.91363187e-05 3 6.84117870e-09-1.09931856e-12 8.14811549e+03 1.47966509e+01 4 cc*c.ooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1391.000 41 1.42513969e+01 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3.86630768e-02-2.87205550e-05 3 1.15055893e-08-1.93047265e-12-3.47123035e+04 2.44906779e+01 4 cc.o.c 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1395.000 21 1.14544438e+01 1.30722565e-02-4.48094346e-06 6.96554125e-10-4.04432448e-14 2 -3.82972623e+04-3.45102586e+01 1.25470143e+00 3.89278692e-02-3.06433430e-05 3 1.31275929e-08-2.33847059e-12-3.48931433e+04 1.96570630e+01 4 cc.co. 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1547.000 21 1.05069046e+01 1.32596095e-02-4.42446735e-06 6.76307668e-10-3.88378798e-14 2 -3.60261090e+04-2.67373181e+01 1.71546846e+00 2.86615254e-02-1.15206514e-05 3 4.22461701e-11 7.11110851e-13-3.25194469e+04 2.22008616e+01 4 c2.cho. 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1385.000 31 1.15877438e+01 1.28901231e-02-4.49926323e-06 7.08057759e-10-4.14688730e-14 2 -4.00792893e+04-3.48107136e+01 7.49517839e-01 3.78264627e-02-2.69789190e-05 3 1.02346232e-08-1.64145024e-12-3.62102386e+04 2.36460756e+01 4 cccho 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1378.000 21 1.02427695e+01 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cc*cooh 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1392.000 41 1.44476229e+01 1.24864814e-02-4.33872499e-06 6.80812123e-10-3.97950135e-14 2 -1.36435846e+04-4.81818231e+01 1.21414890e+00 4.58377131e-02-3.73843159e-05 3 1.58951179e-08-2.75563253e-12-9.26574671e+03 2.20697110e+01 4 cyccoocq 11/12/97 c 3h 6o 4 0g 300.000 5000.000 1387.000 21 2.05624096e+01 1.39489650e-02-5.00965642e-06 8.03611330e-10-4.76997047e-14 2 -3.59709866e+04-8.23638794e+01-3.73288830e+00 7.35841575e-02-6.11300758e-05 3 2.48575243e-08-4.00299308e-12-2.79154072e+04 4.69429138e+01 4 c*ocqcoh 11/12/97 c 3h 6o 4 0g 300.000 5000.000 1392.000 41 1.81452363e+01 1.45163020e-02-5.05611206e-06 7.94643853e-10-4.64999839e-14 2 -6.06176349e+04-6.09807247e+01 3.08725848e+00 5.13859670e-02-4.03141123e-05 3 1.64296254e-08-2.74120441e-12-5.55366851e+04 1.93252125e+01 4 ccc. 11/12/97 c 3h 7 0 0g 300.000 5000.000 1386.000 21 8.87891889e+00 1.51926066e-02-5.19821700e-06 8.07099695e-10-4.68244711e-14 2 7.21999864e+03-2.29020523e+01 4.89680105e-01 3.17745383e-02-1.69420751e-05 3 4.27222899e-09-3.88106071e-13 1.04955773e+04 2.33241310e+01 4 cc.c 11/12/97 c 3h 7 0 0g 300.000 5000.000 1999.000 21 7.09059577e+00 1.70219362e-02-5.94894999e-06 9.40795995e-10-5.53826830e-14 2 6.75883699e+03-1.26909429e+01 6.38704055e-01 2.84865544e-02-1.14329581e-05 3 8.81112867e-10 3.15683673e-13 9.22131415e+03 2.30629265e+01 4 cccoj 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1390.000 21 1.10130308e+01 1.58110271e-02-5.38743215e-06 8.34264825e-10-4.83147349e-14 2 -1.01528968e+04-3.27511689e+01 2.89706516e-01 3.93075560e-02-2.48069355e-05 3 8.07083573e-09-1.07998290e-12-6.24474269e+03 2.54387809e+01 4 c2.coh 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.10944203e+01 1.53549108e-02-5.23574640e-06 8.10964124e-10-4.69665855e-14 2 -1.36782621e+04-3.12908162e+01 5.84672923e-01 4.07370189e-02-2.94865043e-05 3 1.16950656e-08-1.96228356e-12-1.00506024e+04 2.49591243e+01 4 c2c.oh 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.15026438e+01 1.49881248e-02-5.10421074e-06 7.89864272e-10-4.57135659e-14 2 -1.64117315e+04-3.53443368e+01 1.18802517e+00 4.10410262e-02-3.14650841e-05 3 1.33514692e-08-2.37788249e-12-1.29472655e+04 1.94868378e+01 4 c2coj 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1395.000 21 1.14592753e+01 1.55902812e-02-5.34443227e-06 8.30858106e-10-4.82455289e-14 2 -1.24638531e+04-3.62203624e+01-1.00369573e-01 4.31118928e-02-3.10631817e-05 3 1.20668364e-08-1.97214967e-12-8.44902998e+03 2.57650009e+01 4 c.ccoh 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1392.000 31 1.06573810e+01 1.55684549e-02-5.27663821e-06 8.14099260e-10-4.70228616e-14 2 -1.13734630e+04-2.78840294e+01 9.75268383e-01 3.69225253e-02-2.32066980e-05 3 7.68472523e-09-1.06762046e-12-7.84619953e+03 2.46270153e+01 4 hoc3h6 11/12/97 c 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-09-6.84229287e-14-9.12961720e+03 2.47155202e+01 4 ccc.oh 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1393.000 31 1.10500439e+01 1.52562747e-02-5.17257413e-06 7.98146428e-10-4.61030406e-14 2 -1.49623921e+04-3.11722496e+01 1.49130595e+00 3.76502110e-02-2.58507542e-05 3 9.78662277e-09-1.58835656e-12-1.15861733e+04 2.02462575e+01 4 c.occ 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1384.000 31 1.15266155e+01 1.51244278e-02-5.18944649e-06 8.07428862e-10-4.69173895e-14 2 -9.21256739e+03-3.42848301e+01 1.19013173e+00 3.89416762e-02-2.70227114e-05 3 1.03639969e-08-1.72045731e-12-5.49015096e+03 2.15137064e+01 4 cocc. 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1382.000 31 1.09263092e+01 1.56980166e-02-5.40145597e-06 8.42001247e-10-4.89904877e-14 2 -6.83774930e+03-3.05750575e+01 6.31341039e-01 3.78683576e-02-2.38032093e-05 3 7.98191745e-09-1.15767491e-12-2.98479634e+03 2.55334714e+01 4 coc.c 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1383.000 31 1.12658266e+01 1.53775829e-02-5.28417064e-06 8.23016186e-10-4.78583917e-14 2 -1.04556986e+04-3.34774229e+01 7.79542922e-01 3.91078686e-02-2.65223732e-05 3 9.88284622e-09-1.59935069e-12-6.63682557e+03 2.32820275e+01 4 ccohc. 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.10944203e+01 1.53549108e-02-5.23574640e-06 8.10964124e-10-4.69665855e-14 2 -1.36782621e+04-3.12908162e+01 5.84672923e-01 4.07370189e-02-2.94865043e-05 3 1.16950656e-08-1.96228356e-12-1.00506024e+04 2.49591243e+01 4 cc.ohc 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.15026438e+01 1.49881248e-02-5.10421074e-06 7.89864272e-10-4.57135659e-14 2 -1.64117315e+04-3.53443368e+01 1.18802517e+00 4.10410262e-02-3.14650841e-05 3 1.33514692e-08-2.37788249e-12-1.29472655e+04 1.94868378e+01 4 cco.c 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1395.000 21 1.14592753e+01 1.55902812e-02-5.34443227e-06 8.30858106e-10-4.82455289e-14 2 -1.24638531e+04-3.62203624e+01-1.00369573e-01 4.31118928e-02-3.10631817e-05 3 1.20668364e-08-1.97214967e-12-8.44902998e+03 2.57650009e+01 4 cc.cooh 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1369.000 41 1.45698875e+01 1.45471186e-02-4.97634313e-06 7.73606581e-10-4.49528816e-14 2 -6.49820134e+03-4.60581941e+01 2.24247295e+00 3.92932185e-02-2.21205540e-05 3 5.25219959e-09-3.03945067e-13-1.83227125e+03 2.15536098e+01 4 ccc.ooh 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1381.000 41 1.46488644e+01 1.50157886e-02-5.24507804e-06 8.25828546e-10-4.83825315e-14 2 -7.60674753e+03-4.65591949e+01 3.35628590e+00 3.90499044e-02-2.46835958e-05 3 8.04866078e-09-1.10678593e-12-3.36905755e+03 1.50588682e+01 4 cccoo 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1384.000 31 1.26357393e+01 1.69827075e-02-5.88449466e-06 9.21409117e-10-5.37718183e-14 2 -1.09281997e+04-3.72565530e+01 2.13045106e+00 3.94902478e-02-2.47276910e-05 3 8.43817447e-09-1.27443437e-12-6.94896352e+03 2.00989657e+01 4 cjccooh 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1384.000 41 1.46913556e+01 1.49855771e-02-5.23631391e-06 8.24662169e-10-4.83237066e-14 2 -5.14040221e+03-4.72089672e+01 1.92047143e+00 4.38380491e-02-3.04950083e-05 3 1.11246668e-08-1.70667832e-12-5.41556242e+02 2.18379416e+01 4 c2cjooh 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1386.000 31 1.39913908e+01 1.57283475e-02-5.42883069e-06 8.47875899e-10-4.93923640e-14 2 -1.06383755e+04-4.31871969e+01 4.19373465e+00 3.64277973e-02-2.20957279e-05 3 7.04372739e-09-9.62907515e-13-6.93029045e+03 1.03538176e+01 4 jc2jcq 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1393.000 31 1.47690387e+01 1.51007378e-02-5.22040621e-06 8.16246928e-10-4.75893592e-14 2 -7.23084560e+03-4.84395791e+01 1.23891586e+00 4.90701446e-02-3.90518291e-05 3 1.65927048e-08-2.91198201e-12-2.70483410e+03 2.34941074e+01 4 ccoocj 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1364.000 41 1.61329489e+01 1.41347901e-02-5.03009791e-06 8.01926546e-10-4.73938601e-14 2 -4.59153020e+03-5.67934816e+01 3.45491407e+00 3.78547097e-02-1.96030467e-05 3 3.64256928e-09 1.85255846e-14 4.42810357e+02 1.34613426e+01 4 cjcooc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1363.000 41 1.50295655e+01 1.50911153e-02-5.36430702e-06 8.54551012e-10-5.04766934e-14 2 -3.05881935e+03-5.01401542e+01 2.39378240e+00 3.79384565e-02-1.83725516e-05 3 2.72487852e-09 2.17572577e-13 2.05481806e+03 2.01902033e+01 4 ccjooc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1359.000 41 1.49574346e+01 1.51024951e-02-5.35625834e-06 8.51972322e-10-5.02706512e-14 2 -5.45156644e+03-4.87795604e+01 4.28728781e+00 3.19668967e-02-1.14665307e-05 3 -8.17519463e-10 8.95633526e-13-8.65330708e+02 1.15141579e+01 4 cjcoohc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1389.000 41 1.53008885e+01 1.44186684e-02-5.02962693e-06 7.91221500e-10-4.63283038e-14 2 -7.48042099e+03-5.08309788e+01 1.26768858e+00 4.87408832e-02-3.81317895e-05 3 1.57324763e-08-2.68334331e-12-2.70531455e+03 2.40840783e+01 4 ccjoohc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1382.000 41 1.43632150e+01 1.51582743e-02-5.27095864e-06 8.27355936e-10-4.83670073e-14 2 -1.07944830e+04-4.45879839e+01 4.39893676e+00 3.56773239e-02-2.11595980e-05 3 6.43085397e-09-8.26160221e-13-6.96523934e+03 1.00614304e+01 4 ccc 11/12/97 c 3h 8 0 0g 300.000 5000.000 1387.000 21 9.30903615e+00 1.73199401e-02-5.92006308e-06 9.18549779e-10-5.32650089e-14 2 -1.78511121e+04-2.87649046e+01-2.93546757e-01 3.63870252e-02-1.95049623e-05 3 4.95900425e-09-4.55919788e-13-1.41148884e+04 2.41087380e+01 4 c2coh 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1396.000 31 1.15109036e+01 1.75006903e-02-5.96531139e-06 9.23747459e-10-5.34895475e-14 2 -3.87432786e+04-3.63855211e+01-1.76838918e-01 4.52559563e-02-3.19190717e-05 3 1.23062878e-08-2.01412538e-12-3.46643941e+04 2.63322249e+01 4 cccoh 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1392.000 31 1.10907535e+01 1.76742297e-02-5.98706942e-06 9.23367083e-10-5.33205539e-14 2 -3.64416802e+04-3.30601068e+01 2.11500062e-01 4.14485973e-02-2.56417853e-05 3 8.28216750e-09-1.11303720e-12-3.24595891e+04 2.60160990e+01 4 cocc 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1383.000 31 1.13500003e+01 1.78215455e-02-6.11985371e-06 9.52683869e-10-5.53768551e-14 2 -3.19019990e+04-3.57022481e+01-1.44723265e-01 4.24559153e-02-2.63346134e-05 3 8.64257525e-09-1.21753654e-12-2.75965198e+04 2.69729990e+01 4 ccohc 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1396.000 31 1.15109036e+01 1.75006903e-02-5.96531139e-06 9.23747459e-10-5.34895475e-14 2 -3.87432786e+04-3.63855211e+01-1.76838918e-01 4.52559563e-02-3.19190717e-05 3 1.23062878e-08-2.01412538e-12-3.46643941e+04 2.63322249e+01 4 ccooc 11/12/97 c 3h 8o 2 0g 300.000 5000.000 1371.000 41 1.55373715e+01 1.71883951e-02-6.08287869e-06 9.66159935e-10-5.69514086e-14 2 -2.81044820e+04-5.56530986e+01 1.10687505e+00 4.61109274e-02-2.71451489e-05 3 7.57438796e-09-8.10531460e-13-2.25166161e+04 2.37137735e+01 4 ccoohc 11/12/97 c 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 -3.25432631e+04-5.65494592e+01 5.19265573e-01 5.32111228e-02-4.05156892e-05 3 1.63346713e-08-2.73751233e-12-2.73212552e+04 2.47055629e+01 4 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2.76655929e-02-2.35678667e-05 3 1.04028119e-08-1.84435135e-12 5.50195727e+04 2.57797003e+01 4 c*c*c. 11/12/97 c 3h 3 0 0g 300.000 5000.000 1408.000 01 8.34907570e+00 6.06341257e-03-2.00405445e-06 3.04370631e-10-1.74011495e-14 2 3.87078254e+04-2.05317632e+01 8.52494800e-01 2.54754229e-02-2.12197543e-05 3 8.90220606e-09-1.47799616e-12 4.10689582e+04 1.89683511e+01 4 c#cccl 11/12/97 c 3h 3cl 1 0g 300.000 5000.000 1410.000 11 7.25917515e+00-1.44639664e-03 1.21141710e-06-5.07196380e-11-1.00494843e-14 2 2.43325403e+04-2.72580512e+01 2.72340583e+00 6.21148066e-03-3.35486353e-06 3 1.11600988e-09-1.24984144e-13 2.63576481e+04-1.60274801e+00 4 c*c.choa 11/12/97 c 3h 3o 1 0g 300.000 5000.000 1390.000 11 9.78111516e+00 7.50969243e-03-2.61556340e-06 4.11046955e-10-2.40514603e-14 2 1.42055163e+04-2.50656489e+01 1.99806192e+00 2.72342740e-02-2.24050331e-05 3 9.68257238e-09-1.71138082e-12 1.67830831e+04 1.62359919e+01 4 c*cc.*o 11/12/97 c 3h 3o 1 0g 300.000 5000.000 1394.000 11 1.02517672e+01 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1.05189758e+01 1.08797373e-02-3.63058083e-06 5.54259185e-10-3.17783023e-14 2 3.90111588e+03-2.82600105e+01 1.88751055e+00 3.31789262e-02-2.61908310e-05 3 1.10827659e-08-1.92161211e-12 6.68828935e+03 1.73433910e+01 4 cc.*coh 11/12/97 c 3h 5o 1 0g 300.000 5000.000 1400.000 21 1.00951508e+01 1.12583681e-02-3.76470020e-06 5.75512381e-10-3.30272193e-14 2 5.27684245e+03-2.59481472e+01 2.10369926e+00 3.10099592e-02-2.28210204e-05 3 9.07727327e-09-1.50098164e-12 7.95240729e+03 1.66002585e+01 4 c.c*coh 11/12/97 c 3h 5o 1 0g 300.000 5000.000 1398.000 21 1.14917280e+01 1.05566597e-02-3.62876471e-06 5.65268414e-10-3.28725405e-14 2 -5.86492394e+03-3.61308144e+01-4.22340826e-01 4.31110344e-02-3.86739941e-05 3 1.79301265e-08-3.31841988e-12-2.17692823e+03 2.62179944e+01 4 cyc.ccoo 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1375.000 01 1.35270084e+01 1.29168149e-02-4.60277926e-06 7.34506001e-10-4.34400284e-14 2 1.10062581e+03-4.78971064e+01-2.01467201e+00 4.59439001e-02-2.98460146e-05 3 8.77164428e-09-8.93524175e-13 6.77720402e+03 3.66560039e+01 4 cycc.coo 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1370.000 01 1.28950551e+01 1.34867236e-02-4.80732339e-06 7.67311987e-10-4.53873261e-14 2 2.62573669e+03-4.44004380e+01-2.85141714e+00 4.53216508e-02-2.67553532e-05 3 6.25770700e-09-2.69914759e-13 8.51635468e+03 4.18045998e+01 4 c(o.)ccho 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1372.000 31 1.25081089e+01 1.18204311e-02-4.07367580e-06 6.36275172e-10-3.70892453e-14 2 -2.00106234e+04-3.65336476e+01 2.85001189e+00 3.17806186e-02-1.91167438e-05 3 5.51901259e-09-6.07361917e-13-1.63667120e+04 1.63114582e+01 4 c*ccoo. 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1381.000 21 1.14687192e+01 1.33620950e-02-4.64909603e-06 7.30008112e-10-4.26860661e-14 2 5.62791269e+03-3.00185081e+01 3.15496241e+00 3.03579225e-02-1.78548963e-05 3 5.50005234e-09-7.39632371e-13 8.85877071e+03 1.56621717e+01 4 c*cc.ooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1386.000 11 1.30016822e+01 1.25160016e-02-4.36560341e-06 6.86745947e-10-4.02108180e-14 2 3.69728463e+03-4.10179614e+01 1.84198965e+00 3.78775025e-02-2.65281353e-05 3 9.61170457e-09-1.44394312e-12 7.67634085e+03 1.92233789e+01 4 c.*ccooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1393.000 11 1.27695999e+01 1.24355164e-02-4.27407026e-06 6.65629675e-10-3.86990862e-14 2 1.69614412e+04-3.64218540e+01 3.00565502e+00 3.65339191e-02-2.79195850e-05 3 1.15772078e-08-2.00840176e-12 2.02815322e+04 1.56564790e+01 4 c*cooc. 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1385.000 21 1.48773650e+01 1.06831369e-02-3.77578114e-06 5.99216101e-10-3.53015274e-14 2 1.37350698e+04-4.88934333e+01 1.88163617e+00 4.40299162e-02-3.78717407e-05 3 1.69387925e-08-3.07798395e-12 1.80160766e+04 1.99561063e+01 4 c.*ccooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1383.000 31 1.38395713e+01 1.10732080e-02-3.89478595e-06 6.16109561e-10-3.62151339e-14 2 1.64573480e+04-4.26254180e+01 3.01622965e+00 3.61014532e-02-2.64309570e-05 3 1.00859269e-08-1.60413069e-12 2.02872053e+04 1.56713802e+01 4 c*c.cooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1377.000 31 1.33290084e+01 1.15058565e-02-4.04365808e-06 6.39296674e-10-3.75627975e-14 2 1.55175468e+04-3.95292938e+01 4.01823277e+00 3.06461078e-02-1.85122863e-05 3 5.42911898e-09-6.26422677e-13 1.90625146e+04 1.14875061e+01 4 c.*coohc 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1382.000 41 1.35806279e+01 1.06916810e-02-3.72464404e-06 5.85582560e-10-3.42783947e-14 2 1.60116548e+04-4.09140993e+01 3.29219912e+00 3.54882102e-02-2.74243921e-05 3 1.12769787e-08-1.93557244e-12 1.95694106e+04 1.41752272e+01 4 c*coohc. 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1387.000 31 1.41209561e+01 1.06806276e-02-3.72634785e-06 5.86454772e-10-3.43547383e-14 2 4.14267531e+03-4.58890542e+01 1.41398736e+00 4.36915869e-02-3.77522335e-05 3 1.69385181e-08-3.07492244e-12 8.27014121e+03 2.12566515e+01 4 c*coo.c 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1379.000 31 1.12450443e+01 1.29380264e-02-4.46171790e-06 6.96541751e-10-4.05686706e-14 2 5.16843661e+03-2.81059161e+01 3.38123454e+00 2.99682926e-02-1.91363187e-05 3 6.84117870e-09-1.09931856e-12 8.14811549e+03 1.47966509e+01 4 cc*c.ooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1391.000 41 1.42513969e+01 1.01178027e-02-3.52436271e-06 5.53970058e-10-3.24202068e-14 2 1.38897115e+04-4.49367769e+01 2.79336710e+00 3.94329757e-02-3.30907532e-05 3 1.44144284e-08-2.54754115e-12 1.76392956e+04 1.57394550e+01 4 cc.*cooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1395.000 31 1.34012632e+01 1.09638748e-02-3.74914770e-06 5.82027845e-10-3.37680602e-14 2 1.57422381e+04-4.01021342e+01 2.86410078e+00 3.80449781e-02-3.11478767e-05 3 1.34385696e-08-2.36382195e-12 1.91743890e+04 1.56470147e+01 4 c.c*cooh 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1396.000 31 1.48853060e+01 1.00287908e-02-3.49951858e-06 5.50734313e-10-3.22588110e-14 2 4.59570661e+03-5.07088322e+01 2.33849013e-01 5.06164540e-02-4.76419730e-05 3 2.25681004e-08-4.21425470e-12 9.06034937e+03 2.57443734e+01 4 cc*coo. 11/12/97 c 3h 5o 2 0g 300.000 5000.000 1394.000 21 1.15782906e+01 1.27424605e-02-4.31804976e-06 6.66053719e-10-3.84633153e-14 2 5.85343315e+03-3.07667584e+01 2.06136746e+00 3.76499504e-02-3.04234518e-05 3 1.34749903e-08-2.46768298e-12 8.95681628e+03 1.95059267e+01 4 cc.qc*o 11/12/97 c 3h 5o 3 0g 300.000 5000.000 1388.000 41 1.69833045e+01 1.06249265e-02-3.76354534e-06 5.98189059e-10-3.52795545e-14 2 -1.93826312e+04-5.77664140e+01 1.91661323e+00 4.99009543e-02-4.41370875e-05 3 1.98499632e-08-3.57754009e-12-1.45305779e+04 2.17528159e+01 4 cycc.oocq 11/12/97 c 3h 5o 4 0g 300.000 5000.000 1386.000 21 2.03530423e+01 1.15247963e-02-4.16104720e-06 6.69822524e-10-3.98547718e-14 2 -1.36783998e+04-7.79687085e+01-1.80354502e+00 6.59104929e-02-5.51375102e-05 3 2.23421129e-08-3.56231830e-12-6.35577872e+03 3.99156953e+01 4 cyccoocq. 11/12/97 c 3h 5o 4 0g 300.000 5000.000 1385.000 11 1.80948044e+01 1.38041629e-02-4.93150117e-06 7.88292985e-10-4.66758143e-14 2 -1.67009712e+04-6.73584490e+01-2.75816934e+00 6.46788426e-02-5.28639185e-05 3 2.15262859e-08-3.51409175e-12-9.70879208e+03 4.38162581e+01 4 cyc.coocq 11/12/97 c 3h 5o 4 0g 300.000 5000.000 1386.000 21 2.03530423e+01 1.15247963e-02-4.16104720e-06 6.69822524e-10-3.98547718e-14 2 -1.46849423e+04-7.79687085e+01-1.80354502e+00 6.59104929e-02-5.51375102e-05 3 2.23421129e-08-3.56231830e-12-7.36232126e+03 3.99156953e+01 4 c*ocqco. 11/12/97 c 3h 5o 4 0g 300.000 5000.000 1387.000 41 1.82950099e+01 1.20552587e-02-4.25618162e-06 6.75011153e-10-3.97497618e-14 2 -3.43610304e+04-6.17706671e+01 3.55790952e+00 4.82158902e-02-3.89302858e-05 3 1.61065933e-08-2.71160187e-12-2.93977364e+04 1.67953038e+01 4 c*ocq.coh 11/12/97 c 3h 5o 4 0g 300.000 5000.000 1386.000 41 1.59048669e+01 1.38558890e-02-4.82337252e-06 7.57674706e-10-4.43174357e-14 2 -4.14116662e+04-4.71520941e+01 4.41098490e+00 4.12936170e-02-3.09010696e-05 3 1.25101492e-08-2.13927792e-12-3.73903900e+04 1.45179658e+01 4 c.*ocqcoh 11/12/97 c 3h 5o 4 0g 300.000 5000.000 1393.000 41 1.73218058e+01 1.26471331e-02-4.40604145e-06 6.92558669e-10-4.05290872e-14 2 -4.14626380e+04-5.46531979e+01 4.01202427e+00 4.58103572e-02-3.68299832e-05 3 1.54203718e-08-2.63772731e-12-3.70227123e+04 1.61361556e+01 4 c*cc 11/12/97 c 3h 6 0 0g 300.000 5000.000 1388.000 11 8.01595958e+00 1.37023634e-02-4.66249733e-06 7.21254402e-10-4.17370126e-14 2 -1.87821271e+03-2.00160668e+01 3.94615446e-01 2.89107662e-02-1.54886808e-05 3 3.88814209e-09-3.37890352e-13 1.06688164e+03 2.19003736e+01 4 cccho 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1378.000 21 1.02427695e+01 1.39641989e-02-4.76248001e-06 7.38105706e-10-4.27759503e-14 2 -2.74143135e+04-2.85346843e+01 2.16308444e+00 2.95501264e-02-1.52446252e-05 3 3.49503947e-09-2.38896627e-13-2.42260137e+04 1.61153348e+01 4 c2co 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1374.000 21 9.91421984e+00 1.46030709e-02-5.06085765e-06 7.92682855e-10-4.62739645e-14 2 -3.11167423e+04-2.86113215e+01 1.30767163e+00 2.92021742e-02-1.19045617e-05 3 6.52150087e-10 4.67751203e-13-2.75328269e+04 1.96395025e+01 4 c.co.c 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1394.000 21 1.10433202e+01 1.34431296e-02-4.61421706e-06 7.17956991e-10-4.17151161e-14 2 -3.82808006e+04-3.11309718e+01 6.40763817e-01 3.86630768e-02-2.87205550e-05 3 1.15055893e-08-1.93047265e-12-3.47123035e+04 2.44906779e+01 4 cc.o.c 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1395.000 21 1.14544438e+01 1.30722565e-02-4.48094346e-06 6.96554125e-10-4.04432448e-14 2 -3.82972623e+04-3.45102586e+01 1.25470143e+00 3.89278692e-02-3.06433430e-05 3 1.31275929e-08-2.33847059e-12-3.48931433e+04 1.96570630e+01 4 cc.co. 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1547.000 21 1.05069046e+01 1.32596095e-02-4.42446735e-06 6.76307668e-10-3.88378798e-14 2 -3.60261090e+04-2.67373181e+01 1.71546846e+00 2.86615254e-02-1.15206514e-05 3 4.22461701e-11 7.11110851e-13-3.25194469e+04 2.22008616e+01 4 c2.cho. 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1385.000 31 1.15877438e+01 1.28901231e-02-4.49926323e-06 7.08057759e-10-4.14688730e-14 2 -4.00792893e+04-3.48107136e+01 7.49517839e-01 3.78264627e-02-2.69789190e-05 3 1.02346232e-08-1.64145024e-12-3.62102386e+04 2.36460756e+01 4 cccho 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1378.000 21 1.02427695e+01 1.39641989e-02-4.76248001e-06 7.38105706e-10-4.27759503e-14 2 -2.74143135e+04-2.85346843e+01 2.16308444e+00 2.95501264e-02-1.52446252e-05 3 3.49503947e-09-2.38896627e-13-2.42260137e+04 1.61153348e+01 4 c*ccoh 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1388.000 21 1.02818222e+01 1.34248012e-02-4.47039448e-06 6.81924195e-10-3.90899553e-14 2 -1.99960114e+04-2.77736680e+01 1.08899314e+00 3.28481769e-02-1.91322648e-05 3 5.21635136e-09-4.82394566e-13-1.66282463e+04 2.22754535e+01 4 ccyc2o 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1402.000 11 1.09384588e+01 1.38667694e-02-4.74181401e-06 7.36055429e-10-4.26989064e-14 2 -1.64686056e+04-3.59705135e+01-2.36942915e+00 4.75092504e-02-3.78477674e-05 3 1.57261864e-08-2.65562947e-12-1.21122088e+04 3.45777018e+01 4 cyccco 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1401.000 01 1.01100563e+01 1.49541843e-02-5.10990606e-06 7.92942166e-10-4.59932171e-14 2 -1.47112100e+04-3.32235593e+01-4.26711457e+00 4.97451250e-02-3.73825990e-05 3 1.44214791e-08-2.25153265e-12-9.87599876e+03 4.35004912e+01 4 c*cohc 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1374.000 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 cc*coh 11/12/97 c 3h 6o 1 0g 300.000 5000.000 1402.000 21 1.07325199e+01 1.32155442e-02-4.42961587e-06 6.78297050e-10-3.89733124e-14 2 -2.38891328e+04-3.15984637e+01 3.52012104e-01 3.93735327e-02-3.01435659e-05 3 1.23340635e-08-2.07596681e-12-2.04746672e+04 2.34739718e+01 4 cyc3o2 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1382.000 01 1.39786523e+01 1.50893888e-02-5.35427186e-06 8.52045503e-10-5.02942787e-14 2 -2.12514678e+04-5.36157522e+01-4.24466192e+00 5.54917499e-02-3.85339629e-05 3 1.27979550e-08-1.63301440e-12-1.47551196e+04 4.49444405e+01 4 c(oh)ccho 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1377.000 31 1.22894577e+01 1.39823973e-02-4.69687007e-06 7.21074719e-10-4.15305994e-14 2 -4.61357885e+04-3.50722245e+01 2.71184298e+00 3.42800624e-02-2.06440401e-05 3 6.25584618e-09-7.60656251e-13-4.25744744e+04 1.71499324e+01 4 c*ccq 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1387.000 21 1.33918316e+01 1.42216254e-02-4.93409727e-06 7.73355781e-10-4.51658585e-14 2 -1.33939438e+04-4.18851361e+01 2.16689164e+00 3.95070151e-02-2.69257940e-05 3 9.64345940e-09-1.45209554e-12-9.34908833e+03 1.88212529e+01 4 c*cooc 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1386.000 21 1.41405689e+01 1.37574525e-02-4.81321979e-06 7.58671860e-10-4.44832166e-14 2 -9.68728834e+03-4.68459902e+01 6.77096333e-01 4.69721031e-02-3.74059743e-05 3 1.58220127e-08-2.77275085e-12-5.10939958e+03 2.49691888e+01 4 c*coohc 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1381.000 41 1.37155334e+01 1.30877285e-02-4.54324375e-06 7.12565552e-10-4.16410300e-14 2 -1.41078978e+04-4.35417291e+01 2.36366411e+00 3.90347098e-02-2.76312999e-05 3 1.03193424e-08-1.62261640e-12-1.00511365e+04 1.77257477e+01 4 cc*cooh 11/12/97 c 3h 6o 2 0g 300.000 5000.000 1392.000 41 1.44476229e+01 1.24864814e-02-4.33872499e-06 6.80812123e-10-3.97950135e-14 2 -1.36435846e+04-4.81818231e+01 1.21414890e+00 4.58377131e-02-3.73843159e-05 3 1.58951179e-08-2.75563253e-12-9.26574671e+03 2.20697110e+01 4 cyccoocq 11/12/97 c 3h 6o 4 0g 300.000 5000.000 1387.000 21 2.05624096e+01 1.39489650e-02-5.00965642e-06 8.03611330e-10-4.76997047e-14 2 -3.59709866e+04-8.23638794e+01-3.73288830e+00 7.35841575e-02-6.11300758e-05 3 2.48575243e-08-4.00299308e-12-2.79154072e+04 4.69429138e+01 4 c*ocqcoh 11/12/97 c 3h 6o 4 0g 300.000 5000.000 1392.000 41 1.81452363e+01 1.45163020e-02-5.05611206e-06 7.94643853e-10-4.64999839e-14 2 -6.06176349e+04-6.09807247e+01 3.08725848e+00 5.13859670e-02-4.03141123e-05 3 1.64296254e-08-2.74120441e-12-5.55366851e+04 1.93252125e+01 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4.10410262e-02-3.14650841e-05 3 1.33514692e-08-2.37788249e-12-1.29472655e+04 1.94868378e+01 4 c2coj 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1395.000 21 1.14592753e+01 1.55902812e-02-5.34443227e-06 8.30858106e-10-4.82455289e-14 2 -1.24638531e+04-3.62203624e+01-1.00369573e-01 4.31118928e-02-3.10631817e-05 3 1.20668364e-08-1.97214967e-12-8.44902998e+03 2.57650009e+01 4 c.ccoh 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1392.000 31 1.06573810e+01 1.55684549e-02-5.27663821e-06 8.14099260e-10-4.70228616e-14 2 -1.13734630e+04-2.78840294e+01 9.75268383e-01 3.69225253e-02-2.32066980e-05 3 7.68472523e-09-1.06762046e-12-7.84619953e+03 2.46270153e+01 4 cc.coh 11/12/97 c 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-09-6.84229287e-14-9.12961720e+03 2.47155202e+01 4 ccc.oh 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1393.000 31 1.10500439e+01 1.52562747e-02-5.17257413e-06 7.98146428e-10-4.61030406e-14 2 -1.49623921e+04-3.11722496e+01 1.49130595e+00 3.76502110e-02-2.58507542e-05 3 9.78662277e-09-1.58835656e-12-1.15861733e+04 2.02462575e+01 4 c.occ 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1384.000 31 1.15266155e+01 1.51244278e-02-5.18944649e-06 8.07428862e-10-4.69173895e-14 2 -9.21256739e+03-3.42848301e+01 1.19013173e+00 3.89416762e-02-2.70227114e-05 3 1.03639969e-08-1.72045731e-12-5.49015096e+03 2.15137064e+01 4 cocc. 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1382.000 31 1.09263092e+01 1.56980166e-02-5.40145597e-06 8.42001247e-10-4.89904877e-14 2 -6.83774930e+03-3.05750575e+01 6.31341039e-01 3.78683576e-02-2.38032093e-05 3 7.98191745e-09-1.15767491e-12-2.98479634e+03 2.55334714e+01 4 coc.c 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1383.000 31 1.12658266e+01 1.53775829e-02-5.28417064e-06 8.23016186e-10-4.78583917e-14 2 -1.04556986e+04-3.34774229e+01 7.79542922e-01 3.91078686e-02-2.65223732e-05 3 9.88284622e-09-1.59935069e-12-6.63682557e+03 2.32820275e+01 4 ccohc. 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.10944203e+01 1.53549108e-02-5.23574640e-06 8.10964124e-10-4.69665855e-14 2 -1.36782621e+04-3.12908162e+01 5.84672923e-01 4.07370189e-02-2.94865043e-05 3 1.16950656e-08-1.96228356e-12-1.00506024e+04 2.49591243e+01 4 cc.ohc 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1396.000 31 1.15026438e+01 1.49881248e-02-5.10421074e-06 7.89864272e-10-4.57135659e-14 2 -1.72672926e+04-3.53443368e+01 1.18802517e+00 4.10410262e-02-3.14650841e-05 3 1.33514692e-08-2.37788249e-12-1.38028266e+04 1.94868378e+01 4 cco.c 11/12/97 c 3h 7o 1 0g 300.000 5000.000 1395.000 21 1.14592753e+01 1.55902812e-02-5.34443227e-06 8.30858106e-10-4.82455289e-14 2 -1.24638531e+04-3.62203624e+01-1.00369573e-01 4.31118928e-02-3.10631817e-05 3 1.20668364e-08-1.97214967e-12-8.44902998e+03 2.57650009e+01 4 ccjcq 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1369.000 41 1.45698875e+01 1.45471186e-02-4.97634313e-06 7.73606581e-10-4.49528816e-14 2 -6.49820134e+03-4.60581941e+01 2.24247295e+00 3.92932185e-02-2.21205540e-05 3 5.25219959e-09-3.03945067e-13-1.83227125e+03 2.15536098e+01 4 ccc.ooh 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1381.000 41 1.46488644e+01 1.50157886e-02-5.24507804e-06 8.25828546e-10-4.83825315e-14 2 -7.60674753e+03-4.65591949e+01 3.35628590e+00 3.90499044e-02-2.46835958e-05 3 8.04866078e-09-1.10678593e-12-3.36905755e+03 1.50588682e+01 4 cjccq 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1384.000 41 1.46913556e+01 1.49855771e-02-5.23631391e-06 8.24662169e-10-4.83237066e-14 2 -5.14040221e+03-4.72089672e+01 1.92047143e+00 4.38380491e-02-3.04950083e-05 3 1.11246668e-08-1.70667832e-12-5.41556242e+02 2.18379416e+01 4 c2coo 11/12/97 c 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 -1.32685597e+04-4.15930833e+01 1.49941639e+00 4.43081205e-02-3.22414456e-05 3 1.29687136e-08-2.23370569e-12-9.11637223e+03 2.15471870e+01 4 c2cjq 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1386.000 31 1.39913908e+01 1.57283475e-02-5.42883069e-06 8.47875899e-10-4.93923640e-14 2 -1.06383755e+04-4.31871969e+01 4.19373465e+00 3.64277973e-02-2.20957279e-05 3 7.04372739e-09-9.62907515e-13-6.93029045e+03 1.03538176e+01 4 c2jcq 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1393.000 31 1.47690387e+01 1.51007378e-02-5.22040621e-06 8.16246928e-10-4.75893592e-14 2 -7.23084560e+03-4.84395791e+01 1.23891586e+00 4.90701446e-02-3.90518291e-05 3 1.65927048e-08-2.91198201e-12-2.70483410e+03 2.34941074e+01 4 ccooc. 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1364.000 41 1.61329489e+01 1.41347901e-02-5.03009791e-06 8.01926546e-10-4.73938601e-14 2 -4.59153020e+03-5.67934816e+01 3.45491407e+00 3.78547097e-02-1.96030467e-05 3 3.64256928e-09 1.85255846e-14 4.42810357e+02 1.34613426e+01 4 c.cooc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1363.000 41 1.50295655e+01 1.50911153e-02-5.36430702e-06 8.54551012e-10-5.04766934e-14 2 -3.05881935e+03-5.01401542e+01 2.39378240e+00 3.79384565e-02-1.83725516e-05 3 2.72487852e-09 2.17572577e-13 2.05481806e+03 2.01902033e+01 4 cc.ooc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1359.000 41 1.49574346e+01 1.51024951e-02-5.35625834e-06 8.51972322e-10-5.02706512e-14 2 -5.45156644e+03-4.87795604e+01 4.28728781e+00 3.19668967e-02-1.14665307e-05 3 -8.17519463e-10 8.95633526e-13-8.65330708e+02 1.15141579e+01 4 c.coohc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1389.000 41 1.53008885e+01 1.44186684e-02-5.02962693e-06 7.91221500e-10-4.63283038e-14 2 -7.48042099e+03-5.15204605e+01 1.26768858e+00 4.87408832e-02-3.81317895e-05 3 1.57324763e-08-2.68334331e-12-2.70531455e+03 2.33945967e+01 4 cc.oohc 11/12/97 c 3h 7o 2 0g 300.000 5000.000 1382.000 41 1.43632150e+01 1.51582743e-02-5.27095864e-06 8.27355936e-10-4.83670073e-14 2 -1.07944830e+04-4.45879839e+01 4.39893676e+00 3.56773239e-02-2.11595980e-05 3 6.43085397e-09-8.26160221e-13-6.96523934e+03 1.00614304e+01 4 ccc 11/12/97 c 3h 8 0 0g 300.000 5000.000 1387.000 21 9.30903615e+00 1.73199401e-02-5.92006308e-06 9.18549779e-10-5.32650089e-14 2 -1.78511121e+04-2.87649046e+01-2.93546757e-01 3.63870252e-02-1.95049623e-05 3 4.95900425e-09-4.55919788e-13-1.41148884e+04 2.41087380e+01 4 c2coh 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1396.000 31 1.15109036e+01 1.75006903e-02-5.96531139e-06 9.23747459e-10-5.34895475e-14 2 -3.87432786e+04-3.63855211e+01-1.76838918e-01 4.52559563e-02-3.19190717e-05 3 1.23062878e-08-2.01412538e-12-3.46643941e+04 2.63322249e+01 4 cccoh 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1392.000 31 1.10907535e+01 1.76742297e-02-5.98706942e-06 9.23367083e-10-5.33205539e-14 2 -3.64416802e+04-3.30601068e+01 2.11500062e-01 4.14485973e-02-2.56417853e-05 3 8.28216750e-09-1.11303720e-12-3.24595891e+04 2.60160990e+01 4 cocc 11/12/97 c 3h 8o 1 0g 300.000 5000.000 1383.000 31 1.13500003e+01 1.78215455e-02-6.11985371e-06 9.52683869e-10-5.53768551e-14 2 -3.19019990e+04-3.57022481e+01-1.44723265e-01 4.24559153e-02-2.63346134e-05 3 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1.45908890e+00 3.08797753e-02-2.86791655e-05 3 1.37711404e-08-2.62739808e-12 4.24774929e+03 1.68540221e+01 4 chchcho 11/12/97 c 3h 3o 1 0g 300.000 5000.000 1394.000 11 1.02666402e+01 7.09612931e-03-2.47272731e-06 3.88739735e-10-2.27523413e-14 2 1.51653800e+04-2.79927436e+01 1.20905268e+00 3.19125216e-02-2.93443761e-05 3 1.38077482e-08-2.58328113e-12 1.79711576e+04 1.93989644e+01 4 ch2ccho 11/12/97 c 3h 3o 1 0g 300.000 5000.000 1390.000 11 9.78111516e+00 7.50969243e-03-2.61556340e-06 4.11046955e-10-2.40514603e-14 2 1.42055163e+04-2.50656489e+01 1.99806192e+00 2.72342740e-02-2.24050331e-05 3 9.68257238e-09-1.71138082e-12 1.67830831e+04 1.62359919e+01 4 c.*cc 11/12/97 c 3h 5 0 0g 300.000 5000.000 1390.000 11 7.88765880e+00 1.13012591e-02-3.84213130e-06 5.93982677e-10-3.43567175e-14 2 2.82377716e+04-1.74291589e+01 1.32807335e+00 2.53107914e-02-1.51530439e-05 3 4.74345565e-09-6.24666084e-13 3.06873903e+04 1.83328787e+01 4 c*c.c 11/12/97 c 3h 5 0 0g 300.000 5000.000 1382.000 11 7.37492444e+00 1.17510061e-02-4.00021283e-06 6.18947395e-10-3.58215018e-14 2 2.72874911e+04-1.43478655e+01 2.17916644e+00 2.03826623e-02-7.91413833e-06 3 4.76906186e-10 2.70398536e-13 2.94895338e+04 1.48785684e+01 4 c*cc. 11/12/97 c 3h 5 0 0g 300.000 5000.000 1397.000 01 8.45883958e+00 1.12695483e-02-3.83792864e-06 5.94059119e-10-3.43918030e-14 2 1.63576092e+04-2.25809450e+01-5.29131956e-01 3.34559100e-02-2.53401027e-05 3 1.02865754e-08-1.73258340e-12 1.93834226e+04 2.53067131e+01 4 c*cc*o 11/12/97 c 3h 4o 1 0g 300.000 5000.000 1393.000 11 1.04184959e+01 9.48963321e-03-3.29310528e-06 5.16279203e-10-3.01587291e-14 2 -1.49630281e+04-3.07235061e+01 2.92355163e-01 3.54321417e-02-2.94936324e-05 3 1.28100124e-08-2.26144108e-12-1.16521584e+04 2.28878280e+01 4 c*cc.*o 11/12/97 c 3h 3o 1 0g 300.000 5000.000 1395.000 11 9.85246439e+00 7.35842829e-03-2.54254396e-06 3.97416553e-10-2.31655181e-14 2 1.68452985e+03-2.69021114e+01 1.45908890e+00 3.08797753e-02-2.86791655e-05 3 1.37711404e-08-2.62739808e-12 4.24774929e+03 1.68540221e+01 4 ccohcoh 7/22/97 thermc 3h 8o 2 0g 300.000 5000.000 1400.000 41 1.32006729e+01 1.80237392e-02-6.10926138e-06 9.42422441e-10-5.44235251e-14 2 -5.73041850e+04-4.01760599e+01 4.11010217e-01 5.00622236e-02-3.78568546e-05 3 1.56297940e-08-2.69420461e-12-5.30241831e+04 2.78351265e+01 4 ccohco. 7/22/97 thermc 3h 7o 2 0g 300.000 5000.000 1399.000 31 1.31402788e+01 1.61208336e-02-5.49083513e-06 8.49890402e-10-4.91989247e-14 2 -3.10201699e+04-3.99591026e+01 4.66050265e-01 4.80056132e-02-3.71308772e-05 3 1.54684345e-08-2.66862073e-12-2.68053157e+04 2.73690405e+01 4 cco.coh 7/22/97 thermc 3h 7o 2 0g 300.000 5000.000 1399.000 31 1.31402788e+01 1.61208336e-02-5.49083513e-06 8.49890402e-10-4.91989247e-14 2 -3.10201699e+04-3.99591026e+01 4.66050265e-01 4.80056132e-02-3.71308772e-05 3 1.54684345e-08-2.66862073e-12-2.68053157e+04 2.73690405e+01 4 ccqcoo c 3h 7o 4 0g 300.000 5000.000 1386.000 1 1.91746808e 01 1.59836134e-02-5.61163915e-06 8.86584005e-10-5.20674192e-14 2 -2.56670984e 04-6.65194463e 01 2.65369492e 00 5.73946173e-02-4.70605755e-05 3 2.04360185e-08-3.65661909e-12-2.01065111e 04 2.13875379e 01 4 cc*ocq c 3h 6o 3 0g 300.000 5000.000 1372.000 1 1.56636727e 01 1.43770461e-02-5.07650287e-06 8.05093949e-10-4.74068536e-14 2 -4.30719352e 04-5.00202871e 01 4.33499058e 00 3.67313721e-02-2.09689595e-05 3 5.60328497e-09-5.60409750e-13-3.86388945e 04 1.24298989e 01 4 cqcjcq c 3h 7o 4 0g 300.000 5000.000 1378.000 1 1.99678748e 01 1.50912081e-02-5.35242669e-06 8.51430209e-10-5.02429609e-14 2 -1.97379443e 04-6.77609949e 01 3.70147752e 00 5.14277294e-02-3.62966478e-05 3 1.29096581e-08-1.88005321e-12-1.38834785e 04 2.02588883e 01 4 cooccq c 3h 7o 4 0g 300.000 5000.000 1382.000 1 1.85833382e 01 1.65317660e-02-5.81119810e-06 9.18849300e-10-5.39920274e-14 2 -2.43363087e 04-6.19495874e 01 3.31524858e 00 5.25672640e-02-3.96073817e-05 3 1.59664558e-08-2.71399821e-12-1.89539004e 04 2.01177013e 01 4 cjcqcq c 3h 7o 4 0g 300.000 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5000.000 1408.000 1 1.61523090e 01 1.70423820e-02-5.83157896e-06 9.05828228e-10-5.25789865e-14 2 1.93412254e 04-6.33245145e 01-5.50200429e 00 7.47231119e-02-6.53321589e-05 3 2.88870056e-08-5.06675857e-12 2.60737337e 04 5.03239855e 01 4 ch3cy24pd c 6h 8 0 0g 300.000 5000.000 1399.000 1 1.54352848e 01 1.99801707e-02-6.80270423e-06 1.05349633e-09-6.10336727e-14 2 4.47456576e 03-6.36393642e 01-6.65320026e 00 7.44640477e-02-5.82864186e-05 3 2.31603543e-08-3.69017129e-12 1.17669311e 04 5.38162769e 01 4 ch3dcy24pd c 6h 7 0 0g 300.000 5000.000 1401.000 1 1.55618159e 01 1.73311859e-02-5.89094688e-06 9.11427420e-10-5.27727410e-14 2 2.78190296e 04-6.26471227e 01-6.20110039e 00 7.33399091e-02-6.14518456e-05 3 2.60248753e-08-4.38998755e-12 3.47646271e 04 5.22408905e 01 4 fulvenyl c 6h 5 0 0g 300.000 5000.00 1400.00 1 1.49733861e 01 1.31279548e-02-4.43931566e-06 6.85048173e-10-3.96115173e-14 2 5.04662708e 04-5.79946013e 01-3.37529649e 00 5.92300122e-02-4.85540402e-05 3 1.97350757e-08-3.16400675e-12 5.63897813e 04 3.91932238e 01 4 ch3c6h4c2h3 c 9h 10 0 0g 300.000 5000.000 1387.000 1 2.13664963e+01 2.79354157e-02-9.69178877e-06 1.51917696e-09-8.87326037e-14 2 2.91092188e+03-9.00111261e+01-2.76029596e+00 8.32252436e-02-5.85472575e-05 3 2.14521211e-08-3.26642304e-12 1.14654148e+04 4.00613508e+01 4 ch3c6h4c2h5 c 9h 12 0 0g 300.000 5000.000 1392.000 1 2.29271900e+01 3.04089660e-02-1.03593788e-05 1.60461730e-09-9.29658996e-14 2 -1.21377244e+04-9.84493825e+01-4.41852383e+00 9.35245334e-02-6.54171104e-05 3 2.31989742e-08-3.30851599e-12-2.62791031e+03 4.85805625e+01 4 end