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0.94961544E-11-0.14057907E+05 0.19225538E+02 4 nC3H7 P11/94C 3H 7 0 0G 300.000 3000.000 1 0.77097479E+01 0.16031485E-01-0.52720238E-05 0.75888352E-09-0.38862719E-13 2 0.79762236E+04-0.15515297E+02 0.10491173E+01 0.26008973E-01 0.23542516E-05 3 -0.19595132E-07 0.93720207E-11 0.10312346E+05 0.21136034E+02 4 iC3H7 P11/94C 3H 7 0 0G 300.000 3000.000 1 0.65192741E+01 0.17220104E-01-0.57364217E-05 0.84130732E-09-0.44565913E-13 2 0.73227193E+04-0.90830215E+01 0.14449199E+01 0.20999112E-01 0.77036222E-05 3 -0.18476253E-07 0.71282962E-11 0.94223724E+04 0.20116317E+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 CH3COCH3 T 9/92C 3H 6O 1 0G 273.150 5000.0 1 0.33137982E+01 0.26619606E-01-0.10475596E-04 0.18815334E-08-0.12761310E-12 2 -0.25459603E+05 0.96608447E+01 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0.78667205E-02-0.28865882E-05 0.47270875E-09-0.28599861E-13 2 -0.37873075E+04-0.50136751E+01 0.41634257E+01-0.23261610E-03 0.34267820E-04 3 -0.44105227E-07 0.17275612E-10-0.26574529E+04 0.73468280E+01-0.12027167E+04 4 CH3CHO L 8/88C 2H 4O 1 0G 200.000 6000.0 1000.0 1 0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13 2 -0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04 3 -0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01-0.19987949E+05 4 CH3COCH3 T 9/92C 3H 6O 1 0G 273.150 5000.0 1 0.33137982E+01 0.26619606E-01-0.10475596E-04 0.18815334E-08-0.12761310E-12 2 -0.25459603E+05 0.96608447E+01 0.76044596E+01-0.86403564E-02 0.73930097E-04 3 -0.79687398E-07 0.28004927E-10-0.25489789E+05-0.67643691E+01-0.23097645E+05 4 C2H3CHO T 6/92C 3H 4O 1 0G 298.150 3000.0 1000.0 1 0.48353180E+01 0.19772601E-01-0.10426628E-04 0.26525803E-08-0.26278207E-12 2 -0.11557837E+05 0.18853144E+01 0.11529584E+01 0.28040214E-01-0.15072153E-04 3 0.15905842E-08 0.84930371E-12-0.10417694E+05 0.21453279E+02-0.89572567E+04 4 ! m-but 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 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 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 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 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 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 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 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 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 8.41117914e-10-4.82809780e-14 2 1.96898994e 04-6.11532399e 01-2.36726157e 00 5.84423190e-02-4.78622325e-05 3 2.02710415e-08-3.44123135e-12 2.47432754e 04 2.33377340e 01 4 C-2*4C6H6O C 6H 6O 1 0g 300.000 5000.000 1391.000 1 1.75300059e 01 1.62864885e-02-5.58359441e-06 8.69603626e-10-5.06056366e-14 2 -1.72588518e 04-7.18319753e 01-4.45273335e 00 6.83240663e-02-5.17242629e-05 3 1.90307536e-08-2.72276563e-12-9.84416226e 03 4.57361895e 01 4 OC6H4O C 6H 4O 2 0g 300.000 5000.000 1392.000 1 1.76110746e 01 1.41943216e-02-5.07129996e-06 8.16903619e-10-4.85496876e-14 2 -2.34113690e 04-7.13061436e 01-1.58664865e 00 6.37661046e-02-5.49903671e-05 3 2.39560303e-08-4.17456412e-12-1.72402562e 04 3.00847710e 01 4 CH3pHntHrn C 15H 12 0 0g 300.000 5000.000 1388.000 1 3.40214352e 01 3.87599618e-02-1.36026936e-05 2.14870933e-09-1.26179927e-13 2 5.25995697e 03-1.64011170e 02-7.62728502e 00 1.37382953e-01-1.03954898e-04 3 4.03464800e-08-6.40784579e-12 1.96316047e 04 5.92693630e 01 4 C10H7OH C 10H 8O 1 0g 300.000 5000.000 1428.000 1 1.70545603e 01 2.71399777e-02-8.37556985e-06 1.20806091e-09-6.64265060e-14 2 -1.60606637e 04-5.91338880e 01-8.85357874e 00 1.07649510e-01-1.02973597e-04 3 5.04843296e-08-9.60093087e-12-9.23181655e 03 7.26290702e 01 4 C10H7C2H5 C 12H 12 0 0g 300.000 5000.000 1393.000 1 2.89853383e 01 3.39680004e-02-1.17265032e-05 1.83245637e-09-1.06814341e-13 2 -2.18564737e 03-1.33852524e 02-7.57755435e 00 1.23905796e-01-9.74487941e-05 3 3.94103218e-08-6.46891513e-12 1.00243094e 04 6.08512792e 01 4 C10H7C2H3 C 12H 10 0 0g 300.000 5000.000 1391.000 1 2.77976388e 01 3.09394076e-02-1.08192967e-05 1.70494715e-09-9.99533639e-14 2 1.27541446e 04-1.27460553e 02-5.93832671e 00 1.13712471e-01-9.01389066e-05 3 3.69474995e-08-6.18466180e-12 2.41160024e 04 5.23899858e 01 4 C10H6C2H3 C 12H 9 0 0g 300.000 5000.000 1386.000 1 2.76403992e 01 2.83648665e-02-9.89954537e-06 1.55838040e-09-9.13072209e-14 2 4.23913978e 04-1.26245102e 02-4.41588696e 00 1.04557867e-01-7.96078425e-05 3 3.08167668e-08-4.84395910e-12 5.33734309e 04 4.54247001e 01 4 C6H5CCO C 8H 5O 1 0g 300.000 5000.000 1391.000 1 2.05717606e 01 1.65626187e-02-5.73631528e-06 8.98556853e-10-5.24719633e-14 2 1.85523144e 04-7.88307218e 01 2.46903285e 00 5.68111793e-02-3.84432919e-05 3 1.22781652e-08-1.44841401e-12 2.49411038e 04 1.89465318e 01 4 dHpyrene C 16H 12 0 0g 300.000 5000.000 1389.000 1 3.66798324e 01 3.91098206e-02-1.36477507e-05 2.14827541e-09-1.25865478e-13 2 5.39153963e 03-1.80584384e 02-1.07143452e 01 1.55300582e-01-1.23995544e-04 3 5.03764449e-08-8.27707872e-12 2.12574824e 04 7.19393832e 01 4 C6H5CHCH C 8H 7 0 0g 300.000 5000.000 1394.000 1 1.87665766e 01 2.00619262e-02-6.90883699e-06 1.07799789e-09-6.27759176e-14 2 3.76791153e 04-7.60276228e 01-2.72251268e 00 7.09701368e-02-5.27526320e-05 3 1.97369835e-08-2.95890798e-12 4.50007235e 04 3.90143531e 01 4 C6H5CCH2 C 8H 7 0 0g 300.000 5000.000 2047.000 1 1.71139518e 01 2.25377917e-02-7.99496419e-06 1.27893717e-09-7.59484848e-14 2 3.24892099e 04-6.28243270e 01-9.90113676e-01 6.36930626e-02-4.12377605e-05 3 1.25738717e-08-1.42731738e-12 3.85039514e 04 3.42439436e 01 4 C10H7CCH2 C 12H 9 0 0g 300.000 5000.000 1383.000 1 2.81821682e 01 2.77914401e-02-9.59062527e-06 1.49919449e-09-8.74359316e-14 2 3.57763626e 04-1.24928753e 02-2.44707035e 00 9.62374298e-02-6.59484701e-05 3 2.16532339e-08-2.69756550e-12 4.65805930e 04 4.04353223e 01 4 fluorene C 13H 10 0 0g 300.000 5000.000 1395.000 1 2.96985895e 01 3.21427935e-02-1.12035135e-05 1.76197485e-09-1.03163382e-13 2 7.02356550e 03-1.41650027e 02-5.72213745e 00 1.12723846e-01-7.94406052e-05 3 2.72147099e-08-3.61392682e-12 1.93888925e 04 4.90956289e 01 4 fluoryl C 13H 9 0 0g 300.000 5000.000 1396.000 1 2.85044839e 01 3.04765582e-02-1.05975617e-05 1.66399066e-09-9.73157169e-14 2 2.19439847e 04-1.32834253e 02-4.44062707e 00 1.06657923e-01-7.68519310e-05 3 2.73950224e-08-3.85962185e-12 3.33449059e 04 4.41810033e 01 4 C10H7CCH C 12H 8 0 0g 300.000 5000.000 1425.000 1 2.03611316e 01 2.73242331e-02-8.53694521e-06 1.24340805e-09-6.88950577e-14 2 3.09905355e 04-7.82435887e 01-7.73984234e 00 1.11706561e-01-1.04959598e-04 3 5.03992995e-08-9.42642870e-12 3.86881273e 04 6.57110831e 01 4 C10H6CCH C 12H 7 0 0g 300.000 5000.000 1425.000 1 2.00098626e 01 2.52939293e-02-7.88222029e-06 1.14574164e-09-6.33849108e-14 2 6.07484075e 04-7.58842966e 01-6.78519737e 00 1.06840955e-01-1.02126177e-04 3 4.96307371e-08-9.35989752e-12 6.79822243e 04 6.09993781e 01 4 CH3CCCH2 82489C 4H 5 g 0300.00 4000.00 1000.00 1 0.01156506e+03 0.08030297e-01-0.07649450e-05-0.04476534e-08 0.08313260e-12 2 0.03256813e+06-0.03014066e+03 0.05068450e+02 0.01571747e+00 0.02968975e-04 3 -0.04990587e-07-0.02984224e-11 0.03518855e+06 0.06791893e+02 4 CH3CHCCH C 4H 5 0 0g 300.000 5000.000 1558.000 1 1.15707301e 01 1.10521653e-02-3.74679986e-06 5.78988738e-10-3.35056170e-14 2 3.28916203e 04-3.61427241e 01 3.87375812e 00 2.35292310e-02-7.91954580e-06 3 -1.34382648e-09 9.26833346e-13 3.60697147e 04 7.07337245e 00 4 CH2CHCCH2 82489C 4H 5 g 0300.00 4000.00 1000.00 1 0.01199776e+03 0.07990580e-01-0.08098173e-05-0.04568733e-08 0.08636910e-12 2 0.03228493e+06-0.03528495e+03 0.03879443e+02 0.01997664e+00 0.01872777e-04 3 -0.09306953e-07 0.02386116e-10 0.03526859e+06 0.09842152e+02 4 CH3indene C 10H 10 0 0g 300.000 5000.000 1401.000 1 2.39040646e 01 2.70375578e-02-9.03270563e-06 1.38220390e-09-7.94472688e-14 2 5.09404714e 03-1.06679753e 02-9.14899512e 00 1.09556562e-01-8.74133807e-05 3 3.49519155e-08-5.53642343e-12 1.58213324e 04 6.85863711e 01 4 CH3indenyl C 10H 9 0 0g 300.000 5000.000 1390.000 1 2.38506893e 01 2.52731636e-02-8.58286402e-06 1.32818888e-09-7.69478001e-14 2 1.51622968e 04-1.05205264e 02-6.62674973e 00 9.64037943e-02-7.04509486e-05 3 2.50614936e-08-3.45152957e-12 2.55477870e 04 5.81609802e 01 4 C6H5C5H5 C 11H 10 0 0g 300.000 5000.000 1403.000 1 2.64837566e 01 2.81913704e-02-9.59448102e-06 1.48602663e-09-8.61179799e-14 2 1.61014206e 04-1.21190813e 02-1.19923649e 01 1.26777112e-01-1.06468291e-04 3 4.46761049e-08-7.42339378e-12 2.83737869e 04 8.19974574e 01 4 C6H5C5H4 C 11H 9 0 0g 300.000 5000.000 1406.000 1 2.75597938e 01 2.51283900e-02-8.53167237e-06 1.31943396e-09-7.63881356e-14 2 2.40839642e 04-1.22885676e 02-1.08373717e 01 1.27290650e-01-1.13081810e-04 3 4.98588160e-08-8.64272185e-12 3.59466573e 04 7.85338592e 01 4 CHCHCHO C 3H 3O 1 g 0300.00 5000.00 1380.00 1 1.02029457e 01 6.98642466e-03-2.40453423e-06 3.75386729e-10-2.18791232e-14 2 1.44575591e 04-2.82423192e 01 2.03583477e 00 2.55739847e-02-1.81713324e-05 3 6.28551145e-09-8.46222353e-13 1.73077219e 04 1.57368973e 01 4 HCCCHO C 3H 2O 1 g 0300.00 5000.00 1383.00 1 9.53489086e 00 5.27356380e-03-1.86790292e-06 2.96884935e-10-1.75093893e-14 2 7.94341348e 03-2.51820453e 01 2.96395961e 00 2.11989287e-02-1.69306862e-05 3 6.91407180e-09-1.15124164e-12 1.01776675e 04 9.92163123e 00 4 CH2CCO C 3H 2O 1 g 0300.00 5000.00 1400.00 1 9.11937686e 00 5.56517287e-03-1.86151528e-06 2.84782312e-10-1.63563014e-14 2 6.63260442e 03-2.31598881e 01 3.29591682e 00 2.12365391e-02-1.83270163e-05 3 8.21393786e-09-1.47450303e-12 8.44124609e 03 7.37072947e 00 4 HCCCO C 3H 1O 1 g 0300.00 5000.00 1453.00 1 4.72901298e 00 8.55263742e-03-3.11261630e-06 4.45053019e-10-2.03272018e-14 2 2.88623722e 04 6.44697916e 00 6.40938042e 00 1.15715116e-02-1.02639923e-05 3 4.52524382e-09-8.02150325e-13 2.70126564e 04-5.92675057e 00 4 bz(gHi)fln C 18H 10 0 0g 300.00 5000.00 1384.00 1 4.05054085e 01 3.70517492e-02-1.32070880e-05 2.10798899e-09-1.24687094e-13 2 2.94940750e 04-2.08068418e 02-1.15334997e 01 1.62167384e-01-1.29229125e-04 3 5.15294615e-08-8.27457215e-12 4.71589340e 04 7.00760961e 01 4 HC4-p(def)ptHn C 15H 10 0 0g 300.00 5000.00 1415.00 1 1.39619369e 01 4.98784489e-02-2.31971846e-05 4.76663064e-09-3.36186569e-13 2 2.13577478e 04-4.41337511e 01-1.36773823e 01 1.26167854e-01-1.04742488e-04 3 4.43582654e-08-7.62174914e-12 2.96889303e 04 9.99849629e 01 4 CpentaCd C 18H 10 0 0g 300.000 5000.00 1387.00 1 4.01931898e 01 3.70939386e-02-1.31685825e-05 2.09615488e-09-1.23752972e-13 2 1.94190841e 04-2.00093791e 02-1.26611854e 01 1.72465906e-01-1.49484834e-04 3 6.57831480e-08-1.16345015e-11 3.66512922e 04 7.96671634e 01 4 HC4-p(def)ptHyl C 15H 9 0 0g 300.000 5000.00 1418.00 1 1.32375618e 01 4.76137169e-02-2.23612429e-05 4.63681279e-09-3.29035851e-13 2 3.59851284e 04-3.80686357e 01-1.15750589e 01 1.16068854e-01-9.55729305e-05 3 4.02161473e-08-6.88164962e-12 4.34790836e 04 9.13398784e 01 4 indene C 9H 8 0 0g 300.000 5000.00 1396.00 1 2.00359285e 01 2.47526620e-02-8.58094734e-06 1.34456919e-09-7.85209649e-14 2 9.16275094e 03-8.95126334e 01-8.87165677e 00 9.79080414e-02-8.06284837e-05 3 3.40058981e-08-5.78340781e-12 1.86090957e 04 6.36942952e 01 4 indenyl C 9H 7 0 0g 300.000 5000.00 1396.00 1 1.88496987e 01 2.30750390e-02-7.97012499e-06 1.24573420e-09-7.26203331e-14 2 2.15148314e 04-8.07377133e 01-7.55449024e 00 9.17109694e-02-7.78588594e-05 3 3.40781245e-08-6.00585308e-12 2.99922277e 04 5.86084835e 01 4 pHntHrOxy-1 C 14H 9O 1 0g 300.000 5000.00 1390.00 1 3.63410920e 01 2.85044297e-02-9.84996550e-06 1.54212012e-09-9.00664052e-14 2 3.33744473e 03-1.74734851e 02-6.88583078e 00 1.35568631e-01-1.11107486e-04 3 4.49354272e-08-7.18645703e-12 1.75074233e 04 5.48782902e 01 4 bz(a)ndene C 13H 10 0 0g 300.000 5000.00 1393.00 1 2.88955020e 01 3.28685072e-02-1.14625895e-05 1.80325173e-09-1.05598328e-13 2 1.37214468e 04-1.38555082e 02-1.07607312e 01 1.32785410e-01-1.09605089e-04 3 4.62758700e-08-7.88684234e-12 2.67476884e 04 7.18151857e 01 4 bz(a)ndnyl C 13H 9 0 0g 300.000 5000.00 1391.00 1 2.77661174e 01 3.11293384e-02-1.08292175e-05 1.70088594e-09-9.94955988e-14 2 2.45852410e 04-1.30108063e 02-9.86393380e 00 1.28874500e-01-1.10777590e-04 3 4.90576357e-08-8.75446462e-12 3.67248325e 04 6.85954001e 01 4 bz(a)pHntHrn C 18H 12 0 0g 300.000 5000.00 1387.00 1 4.04569002e 01 4.18109769e-02-1.47595774e-05 2.34058824e-09-1.37822822e-13 2 1.62338981e 04-2.02290620e 02-1.07783227e 01 1.67404365e-01-1.34917078e-04 3 5.56343589e-08-9.32756932e-12 3.34874835e 04 7.08724949e 01 4 pHntHrOl-1 C 14H 10O 1 0g 300.000 5000.00 1387.00 1 3.40642260e 01 3.37240559e-02-1.18872916e-05 1.88323853e-09-1.10815935e-13 2 -1.01983496e 04-1.62863881e 02-7.64150574e 00 1.39203106e-01-1.17055885e-04 3 5.07207464e-08-8.91567081e-12 3.58192152e 03 5.84427128e 01 4 aCepHen C 16H 10 0 0g 300.000 5000.00 1384.00 1 3.56803228e 01 3.57053461e-02-1.26593811e-05 2.01332949e-09-1.18788801e-13 2 2.19827245e 04-1.74419155e 02-9.21330765e 00 1.46589188e-01-1.20367147e-04 3 5.08231606e-08-8.74645150e-12 3.70879272e 04 6.47581868e 01 4 pHntHrOl-9 C 14H 10O 1 0g 300.000 5000.00 1387.00 1 3.40642260e 01 3.37240559e-02-1.18872916e-05 1.88323853e-09-1.10815935e-13 2 -1.01983496e 04-1.62863881e 02-7.64150574e 00 1.39203106e-01-1.17055885e-04 3 5.07207464e-08-8.91567081e-12 3.58192152e 03 5.84427128e 01 4 pHntHryl-9 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 Cyp(Cd)pyrene C 18H 10 0 0g 300.000 5000.000 1393.000 1 4.07204316e 01 3.61114190e-02-1.27100992e-05 2.01204367e-09-1.18345081e-13 2 1.93764469e 04-2.04154035e 02-1.24890223e 01 1.71598706e-01-1.46536973e-04 3 6.26705345e-08-1.06890791e-11 3.66131338e 04 7.74453499e 01 4 C6H5 C 6H 5 0 0g 300.000 5000. 1392.0 1 1.30475872e 01 1.54199557e-02-5.36320047e-06 8.42233454e-10-4.92613801e-14 2 3.42322836e 04-4.84806305e 01-3.77870189e 00 5.57135991e-02-4.24637235e-05 3 1.64735988e-08-2.58896171e-12 3.99554051e 04 4.15018981e 01 4 H2CCCCH C 4H 3 0 0g 300.000 5000. 1380.0 1 1.06224341e 01 6.96083801e-03-2.37107290e-06 3.67292019e-10-2.12819580e-14 2 5.45311236e 04-2.70887918e 01 6.29010517e 00 1.73061208e-02-1.25827245e-05 3 5.29806895e-09-9.74060239e-13 5.60876625e 04-3.77531706e 00 4 fulvene C 6H 6 0 0g 300.000 3000.000 1000.00 1 0.55099388e+01 0.33879936e-01-0.17737071e-04 0.44769284e-08-0.44127372e-12 2 0.24921871e+05-0.67757489e+01-0.56096307e+01 0.73064757e-01-0.70326923e-04 3 0.36580449e-07-0.80201931e-11 0.27468885e+05 0.48339178e+02 4 H2CCCHCCH C 5H 4 0 0g 300.000 5000.000 1379.00 1 1.32056231e 01 9.36192969e-03-3.19030076e-06 4.94841630e-10-2.87146946e-14 2 4.49527673e 04-4.44541054e 01 2.71523107e 00 3.21953702e-02-2.09346446e-05 3 6.14324640e-09-5.99944761e-13 4.86824444e 04 1.23455416e 01 4 C5H3 C 5H 3 0 0g 300.000 5000.000 1386.00 1 1.31098142e 01 7.16952455e-03-2.39789731e-06 3.67161467e-10-2.11115475e-14 2 6.47607541e 04-3.87971382e 01 6.30572789e 00 2.27774621e-02-1.57641715e-05 3 5.43246387e-09-7.36045558e-13 6.71206959e 04-2.20538393e 00 4 C6H5C2H C 8H 6 0 0g 300.000 5000.000 1389.00 1 1.91822134e 01 1.76449850e-02-6.18210588e-06 9.75697439e-10-5.72698125e-14 2 2.89847171e 04-8.01903000e 01-3.13527908e 00 7.15153321e-02-5.60924468e-05 3 2.20854359e-08-3.49225990e-12 3.65086712e 04 3.89669546e 01 4 pHntHrOxy-9 C 14H 9O 1 0g 300.000 5000.00 1390.00 1 3.63410920e 01 2.85044297e-02-9.84996550e-06 1.54212012e-09-9.00664052e-14 2 3.33744473e 03-1.74734851e 02-6.88583078e 00 1.35568631e-01-1.11107486e-04 3 4.49354272e-08-7.18645703e-12 1.75074233e 04 5.48782902e 01 4 OC6H4C2H C 8H 5O 1 0g 300.000 5000.000 1683.00 1 2.01235400e 01 1.84085011e-02-6.88040945e-06 1.13747745e-09-6.90418484e-14 2 2.51215966e 04-8.23476685e 01 1.22792928e 00 6.05545833e-02-3.99908950e-05 3 1.19178242e-08-1.27085997e-12 3.14700790e 04 1.92562005e 01 4 HOC6H4C2H C 8H 6O 1 0g 300.000 5000.000 1395.00 1 2.06899758e 01 1.83510695e-02-6.39165715e-06 1.00456351e-09-5.87855759e-14 2 8.24413226e 03-8.57513983e 01-9.34687866e-01 7.39318374e-02-6.23775751e-05 3 2.70702347e-08-4.73825078e-12 1.52579573e 04 2.86084737e 01 4 C6H5CH2CCH C 9H 8 0g 300.000 5000.000 1380.00 1 2.13589834e 01 2.35346026e-02-8.33066636e-06 1.32341506e-09-7.80207799e-14 2 2.53800019e 04-9.01491009e 01-3.63506635e 00 8.20838224e-02-6.21549551e-05 3 2.45684073e-08-4.04584030e-12 3.41684184e 04 4.42418045e 01 4 C6H5CHCCH C 9H 7 0g 300.000 5000.000 1390.00 1 2.22881232e 01 1.99581702e-02-6.86105910e-06 1.06982464e-09-6.22874534e-14 2 3.71285834e 04-9.42690184e 01-2.04794061e 00 7.89720233e-02-6.15712446e-05 3 2.41143387e-08-3.77946224e-12 4.52735294e 04 3.55154989e 01 4 CH2C6H4C2H C 9H 7 0g 300.000 5000.000 1399.00 1 2.18545466e 01 2.03986770e-02-7.01789035e-06 1.09395068e-09-6.36512305e-14 2 4.24813541e 04-9.31631775e 01-2.62078260e 00 8.64686568e-02-7.69172179e-05 3 3.50660751e-08-6.37326600e-12 5.00929159e 04 3.51316294e 01 4 CH3C6H4C2H C 9H 8 0g 300.000 5000.000 1389.00 1 2.13798223e 01 2.30825298e-02-8.07454803e-06 1.27268283e-09-7.46216366e-14 2 2.27632835e 04-9.13576993e 01-2.61767927e 00 8.10338834e-02-6.27118780e-05 3 2.52019711e-08-4.16097151e-12 3.09562385e 04 3.69355934e 01 4 CH2CHCCCH2 C 5H 5 0g 300.000 5000.000 1419.00 1 1.49002211e 01 1.02047425e-02-3.33108297e-06 5.01401640e-10-2.84787029e-14 2 3.76316811e 04-4.88208873e 01 5.81919956e 00 3.14142725e-02-2.16007932e-05 3 7.32981413e-09-9.50577894e-13 4.07043275e 04-1.85054643e-01 4 CH2CHCHCCH2 C 5H 6 0g 300.000 5000.000 1401.00 1 1.36150352e 01 1.39757914e-02-4.74220550e-06 7.32194878e-10-4.23139708e-14 2 2.34200928e 04-4.79027978e 01-9.04477333e-01 5.46367667e-02-4.95224291e-05 3 2.33275427e-08-4.37361342e-12 2.78170146e 04 2.77316771e 01 4 C-C5H8 C 5H 8 0g 300.000 5000.000 1000.000 1 0.77244792e 01 0.28322316e-01-0.11545236e-04 0.21540815e-08-0.15054178e-12 2 -0.78261573e 03-0.19769698e 02 0.26898140e 01 0.20954550e-02 0.11303687e-03 3 -0.15408070e-06 0.62763658e-10 0.23139663e 04 0.15294056e 02 4 CyC6H10 C 6H 10 0g 300.000 5000.000 1000.000 1 0.11773904e 02 0.30947360e-01-0.11234330e-04 0.18262494e-08-0.10985119e-12 2 -0.72028376e 04-0.42658688e 02 0.23662378e 01 0.10681712e-01 0.11822112e-03 3 -0.16567854e-06 0.67612802e-10-0.24824973e 04 0.16769357e 02 4 CyC6H9 C 6H 9 0g 300.000 5000.000 1000.000 1 0.26295828e 02 0.86828857e-02-0.15770376e-05 0.00000000e 00 0.00000000e 00 2 0.20863563e 04-0.12573825e 03-0.35714300e 01 0.61696043e-01-0.26928803e-04 3 0.00000000e 00 0.00000000e 00 0.13657039e 05 0.39986250e 02 4 CH2CHCH2CH2 burCt C 4H 7 0 0g 300.00 5000. 1000.00 1 0.54406620e 01 0.27446030e-01-0.13654960e-04 0.33403520e-08-0.32900500e-12 2 0.19037120e 05-0.28628020e 01 0.92781510e 01-0.29563050e-01 0.16328660e-03 3 -0.20005760e-06 0.79346050e-10 0.19638130e 05-0.12978690e 02 4 C4H7 burCt C 4H 7 0 0g 300.00 5000. 1000.00 1 0.55214200e 01 0.26836840e-01-0.12864300e-04 0.30886400e-08-0.30308560e-12 2 0.11980440e 05-0.44824470e 01-0.10805140e 01 0.46386860e-01-0.34646970e-04 3 0.14013740e-07-0.23950400e-11 0.13755380e 05 0.29344660e 02 4 pC4H9 C 4H 9 0g 300.000 5000.000 1391.000 1 1.25852385e 01 1.92111694e-02-6.57326410e-06 1.02061869e-09-5.92133242e-14 2 1.53395154e 03-4.25650737e 01-5.63779275e-02 4.74665020e-02-3.09478578e-05 3 1.07730695e-08-1.59440284e-12 6.12170926e 03 2.58974787e 01 4 sC4H9 C 4H 9 0g 300.000 5000.000 1389.000 1 1.23398640e 01 1.94566551e-02-6.66587399e-06 1.03587853e-09-6.01337064e-14 2 -9.75055642e 01-4.11088156e 01 1.74685325e-01 4.58190786e-02-2.84765915e-05 3 9.33371769e-09-1.29845542e-12 4.41088767e 03 2.50851641e 01 4 C-C4H8 C 4H 8 0g 300.000 5000.000 1396.000 1 1.09756878e 01 1.94352304e-02-6.68114629e-06 1.04077397e-09-6.05251834e-14 2 -3.17094413e 03-4.07581529e 01-4.76315835e 00 5.53063038e-02-3.77687830e-05 3 1.32602748e-08-1.90275858e-12 2.39060426e 03 4.40965247e 01 4 Hexadiene-1,5 C 6H 10 0g 300.000 5000.000 1390.000 1 1.67186192e 01 2.30179407e-02-7.81866308e-06 1.20831815e-09-6.98826125e-14 2 1.74306625e 03-6.19565928e 01-1.80013527e 00 6.71111879e-02-4.84054490e-05 3 1.84055726e-08-2.89367813e-12 8.10249521e 03 3.72242052e 01 4 iC6H11-1 C 6H 11 0g 300.000 5000.000 1393.000 1 1.76478150e 01 2.44800076e-02-8.34956549e-06 1.29382005e-09-7.49634466e-14 2 7.54990872e 03-6.55809673e 01-6.22016827e-01 6.68962797e-02-4.64099859e-05 3 1.70632079e-08-2.62105373e-12 1.39661184e 04 3.27078260e 01 4 nC6H11-2 C 6H 11 0g 300.000 5000.000 1392.000 1 1.74248394e 01 2.46444940e-02-8.40071728e-06 1.30121597e-09-7.53700631e-14 2 7.98166098e 03-6.48426470e 01-4.09032079e-01 6.55058992e-02-4.44319788e-05 3 1.59255939e-08-2.38570099e-12 1.43013665e 04 3.12970686e 01 4 l-C5H9 C 5H 9 0g 300.000 5000.000 1395.000 1 1.46533768e 01 1.98792672e-02-6.77770193e-06 1.04992111e-09-6.08171416e-14 2 1.33400697e 04-5.10581125e 01-6.14402920e-01 5.64045956e-02-4.08617968e-05 3 1.58175575e-08-2.55519215e-12 1.85959638e 04 3.07002488e 01 4 C-C5H9 burCtC 5H 9 0g 300.000 5000.000 1000.000 1 0.11406802e 02 0.22563988e-01-0.70235595e-05 0.11321968e-08-0.73438204e-13 2 0.75268769e 04-0.39636280e 02 0.29427128e 00 0.13823374e-01 0.90847653e-04 3 -0.13008694e-06 0.53051811e-10 0.12565712e 05 0.27389773e 02 4 C5H10-1 burCtC 5H 10 0g 300.000 5000.000 1000.000 1 0.12541454e 02 0.23941070e-01-0.77445529e-05 0.11157970e-08-0.57968116e-13 2 -0.87175352e 04-0.39854187e 02 0.17627859e 01 0.38902789e-01 0.58380774e-05 3 -0.30547188e-07 0.13839465e-10-0.48109883e 04 0.19929169e 02 4 CH2CHCH2O C 3H 5O 1 0g 300.000 5000.000 1000.00 1 9.44477437e 00 1.27039625e-02-4.56349179e-06 8.06113328e-10-5.26599798e-14 2 6.70242803e 03-2.49387079e 01-2.08814829e-03 3.58473202e-02-2.67606354e-05 3 1.06914296e-08-1.76330732e-12 9.89673084e 03 2.54501512e 01 4 CH2CHCHOH C 3H 5O 1 0g 300.000 5000.000 1381.000 1 9.88984939e 00 1.25948086e-02-4.38788430e-06 6.89605662e-10-4.03488801e-14 2 -3.59162748e 03-2.65892333e 01 1.70643152e 00 2.95990787e-02-1.79208491e-05 3 5.73054644e-09-8.00962015e-13-4.43960762e 02 1.82694063e 01 4 CH3Cy24pd1 C 6H 7 0 0g 300.000 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 ! ********** FLTHN 10/07/93 MM3 C 16H 10 0 0G 300.000 5000.000 1392.000 01 3.53625209E+01 3.51973243E-02-1.24979742E-05 2.00282081E-09-1.18696672E-13 2 1.83236105E+04-1.72185286E+02-1.05302072E+01 1.52867728E-01-1.30186098E-04 3 5.62349001E-08-9.74446191E-12 3.31713319E+04 7.05082178E+01 4 BGHIF 10/07/93 mm3 C 18H 10 0 0G 300.000 5000.000 1392.000 01 3.89402846E+01 3.75036664E-02-1.33632064E-05 2.14509430E-09-1.27219014E-13 2 2.83699011E+04-1.91759886E+02-1.16928756E+01 1.67865779E-01-1.44270086E-04 3 6.26787591E-08-1.09009059E-11 4.46898283E+04 7.57989908E+01 4 COR 10/07/93 mm3 C 20H 10 0 0G 300.000 5000.000 1392.000 01 4.27878430E+01 3.95584799E-02-1.41369459E-05 2.27253919E-09-1.34853665E-13 2 3.94962021E+04-2.15377773E+02-1.22383924E+01 1.81741656E-01-1.57412721E-04 3 6.87251104E-08-1.19898784E-11 5.71738318E+04 7.52022603E+01 4 COR1 10/07/93 mm3 C 22H 10 0 0G 300.000 5000.000 1392.000 01 4.70988680E+01 4.12063720E-02-1.48107532E-05 2.39083832E-09-1.42211196E-13 2 5.57078183E+04-2.37415092E+02-1.30252449E+01 1.97686660E-01-1.73592945E-04 3 7.64757307E-08-1.34206064E-11 7.48954747E+04 7.96614340E+01 4 COR2 10/07/93 mm3 C 24H 10 0 0G 300.000 5000.000 1393.000 01 5.12987742E+01 4.29686550E-02-1.55136077E-05 2.51161350E-09-1.49618788E-13 2 7.00856420E+04-2.60359850E+02-1.38599251E+01 2.13498661E-01-1.89474060E-04 3 8.40463702E-08-1.48147924E-11 9.07728811E+04 8.29111752E+01 4 COR3 10/07/93 mm3 C 26H 10 0 0G 300.000 5000.000 1170.000 01 4.93061404E+01 5.28044313E-02-1.98308921E-05 3.29979722E-09-2.00514371E-13 2 8.76695018E+04-2.46811650E+02-1.29430621E+01 2.19731897E-01-1.87489279E-04 3 7.81856940E-08-1.27336481E-11 1.06169233E+05 7.83046246E+01 4 COR4 10/07/93 mm3 C 28H 10 0 0G 300.000 5000.000 1172.000 01 5.32317025E+01 5.49510991E-02-2.07220492E-05 3.45708151E-09-2.10346671E-13 2 1.01507948E+05-2.68128304E+02-1.37600016E+01 2.35315867E-01-2.02579280E-04 3 8.49606620E-08-1.38882638E-11 1.21341376E+05 8.14926678E+01 4 HB 10/07/93 mm3 C 30H 10 0 0G 300.000 5000.000 1173.000 01 5.70008589E+01 5.72256729E-02-2.16260755E-05 3.61159401E-09-2.19832148E-13 2 1.13399177E+05-2.90191298E+02-1.42784686E+01 2.49556495E-01-2.15960106E-04 3 9.08683378E-08-1.48850441E-11 1.34457690E+05 8.16512401E+01 4 HB1 10/07/93 mm3 C 32H 10 0 0G 300.000 5000.000 1173.000 01 6.01482633E+01 6.00613728E-02-2.27077823E-05 3.79141603E-09-2.30722204E-13 2 1.23965390E+05-3.06611616E+02-1.54937205E+01 2.64293712E-01-2.29195053E-04 3 9.65555953E-08-1.58284759E-11 1.46299313E+05 8.79421594E+01 4 HB2 10/07/93 mm3 C 34H 10 0 0G 300.000 5000.000 1173.000 01 6.32212473E+01 6.29718293E-02-2.38079989E-05 3.97293325E-09-2.41670108E-13 2 1.33644810E+05-3.24288125E+02-1.67150513E+01 2.78836305E-01-2.42093947E-04 3 1.02053253E-07-1.67355052E-11 1.57242900E+05 9.26516127E+01 4 HB3 10/07/93 mm3 C 36H 10 0 0G 300.000 5000.000 1174.000 01 6.63143674E+01 6.58284432E-02-2.49088432E-05 4.15803815E-09-2.52963452E-13 2 1.41403649E+05-3.42077359E+02-1.81029013E+01 2.94003564E-01-2.55848522E-04 3 1.08004425E-07-1.77273560E-11 1.66302643E+05 9.81577743E+01 4 HB4 10/07/93 mm3 C 38H 10 0 0G 300.000 5000.000 1174.000 01 6.93137223E+01 6.87866853E-02-2.60405707E-05 4.34709909E-09-2.64457412E-13 2 1.41124810E+05-3.59581409E+02-1.96305986E+01 3.09335846E-01-2.69639115E-04 3 1.13938975E-07-1.87128866E-11 1.67344754E+05 1.04211955E+02 4 FLTHN- 10/14/93 mm3 C 16H 9 0 0G 300.000 5000.000 1392.000 01 3.44986046E+01 3.35994409E-02-1.19185827E-05 1.90367806E-09-1.12499630E-13 2 4.90646942E+04-1.65080225E+02-9.33361616E+00 1.45699817E-01-1.23751416E-04 3 5.33221494E-08-9.22249503E-12 6.32780952E+04 6.68245164E+01 4 BGHIF- 10/14/93 mm3 C 18H 9 0 0G 300.000 5000.000 1392.000 01 3.79694228E+01 3.60045127E-02-1.28047211E-05 2.04710644E-09-1.21008988E-13 2 5.91537344E+04-1.84742037E+02-1.03219244E+01 1.59856963E-01-1.36701409E-04 3 5.91481654E-08-1.02567992E-11 7.47731263E+04 7.06228071E+01 4 COR- 10/14/93 mm3 C 20H 9 0 0G 300.000 5000.000 1392.000 01 4.18820735E+01 3.79920848E-02-1.35580986E-05 2.17210438E-09-1.28540315E-13 2 7.02550491E+04-2.07120405E+02-1.09220565E+01 1.74041374E-01-1.50266809E-04 3 6.54231542E-08-1.13904321E-11 8.72630043E+04 7.18725894E+01 4 COR1- 10/14/93 mm3 C 22H 9 0 0G 300.000 5000.000 1392.000 01 4.62733707E+01 3.95434254E-02-1.41956688E-05 2.28472215E-09-1.35572344E-13 2 8.54258428E+04-2.31180592E+02-1.18274676E+01 1.90511946E-01-1.67144706E-04 3 7.35517112E-08-1.28953756E-11 1.03995545E+05 7.53182401E+01 4 COR2- 10/14/93 mm3 C 24H 9 0 0G 300.000 5000.000 1392.000 01 5.04787000E+01 4.12866148E-02-1.48832005E-05 2.40200124E-09-1.42738960E-13 2 9.98526125E+04-2.54201528E+02-1.26286768E+01 2.06188777E-01-1.82851651E-04 3 8.10286539E-08-1.42709343E-11 1.19917945E+05 7.83603007E+01 4 COR3- 10/14/93 mm3 C 26H 9 0 0G 300.000 5000.000 1169.000 01 4.86507782E+01 5.09015913E-02-1.90991092E-05 3.17129767E-09-1.92406627E-13 2 1.17292485E+05-2.41629943E+02-1.18376530E+01 2.12966581E-01-1.81737504E-04 3 7.57621036E-08-1.23343736E-11 1.35283871E+05 7.43421021E+01 4 COR4- 10/14/93 mm3 C 28H 9 0 0G 300.000 5000.000 1171.000 01 5.25534444E+01 5.30528739E-02-1.99785603E-05 3.32496473E-09-2.01965478E-13 2 1.31191246E+05-2.62808752E+02-1.25880092E+01 2.28247883E-01-1.96442253E-04 3 8.23414916E-08-1.34532466E-11 1.50496907E+05 7.72255547E+01 4 HB- 10/14/93 mm3 C 30H 9 0 0G 300.000 5000.000 1177.000 01 5.73839443E+01 5.43271812E-02-2.06642763E-05 3.46548264E-09-2.11360185E-13 2 1.41660719E+05-2.89191074E+02-1.35458055E+01 2.46889754E-01-2.16374479E-04 3 9.17863648E-08-1.51155225E-11 1.62492594E+05 8.03964116E+01 4 HB1- 10/14/93 mm3 C 32H 9 0 0G 300.000 5000.000 1177.000 01 6.05514264E+01 5.71369622E-02-2.17352898E-05 3.64346122E-09-2.22135455E-13 2 1.52217996E+05-3.07338726E+02-1.48131563E+01 2.61835326E-01-2.29874923E-04 3 9.76116741E-08-1.60845600E-11 1.74342575E+05 8.53222122E+01 4 HB2- 10/14/93 mm3 C 34H 9 0 0G 300.000 5000.000 1177.000 01 6.36119598E+01 6.00477507E-02-2.28262022E-05 3.82226201E-09-2.32881477E-13 2 1.61900636E+05-3.24944814E+02-1.60221020E+01 2.76276075E-01-2.42628174E-04 3 1.03032927E-07-1.69773904E-11 1.85285853E+05 8.99856383E+01 4 HB3- 10/14/93 mm3 C 36H 9 0 0G 300.000 5000.000 1178.000 01 6.67192774E+01 6.28850295E-02-2.39186517E-05 4.00585197E-09-2.44076764E-13 2 1.69657926E+05-3.42805661E+02-1.73896309E+01 2.91425753E-01-2.56394550E-04 3 1.08999143E-07-1.79729793E-11 1.94340395E+05 9.53816592E+01 4 HB4- 10/14/93 mm3 C 38H 9 0 0G 300.000 5000.000 1178.000 01 6.97030102E+01 6.58498144E-02-2.50445848E-05 4.19288933E-09-2.55412963E-13 2 1.69387690E+05-3.60212267E+02-1.88509588E+01 3.06497447E-01-2.69865492E-04 3 1.14773861E-07-1.89295978E-11 1.95371778E+05 1.01122535E+02 4 HBHBD1 4/27/92 THERMC 60H 18 0 0G 300.000 5000.000 1405.000 01 1.25614566E+02 9.21676888E-02-3.23486529E-05 5.11216407E-09-3.00361506E-13 2 2.09615398E+05-6.71353090E+02-3.14576022E+01 4.96716038E-01-4.31728128E-04 3 1.83851558E-07-3.07533406E-11 2.59453557E+05 1.57297735E+02 4 HBHBD1- 4/27/92 THERMC 60H 17 0 0G 300.000 5000.000 1406.000 01 1.25793188E+02 8.93988345E-02-3.13785814E-05 4.95921105E-09-2.91394359E-13 2 2.38008859E+05-6.69991265E+02-3.13498812E+01 4.96595815E-01-4.35825034E-04 3 1.86997780E-07-3.14632472E-11 2.87589961E+05 1.58103512E+02 4 HBHBD2 4/22/92 THERMC 60H 16 0 0G 300.000 5000.000 1399.000 01 1.23719845E+02 9.04643706E-02-3.20650467E-05 5.09981079E-09-3.00941663E-13 2 1.96783909E+05-6.72284575E+02-3.07919700E+01 4.81343798E-01-4.11288839E-04 3 1.72218038E-07-2.84166867E-11 2.46644274E+05 1.45587174E+02 4 HBHBD3 4/22/92 THERMC 60H 14 0 0G 300.000 5000.000 1398.000 01 1.21477285E+02 8.75904434E-02-3.11463775E-05 4.96417760E-09-2.93364411E-13 2 2.00310359E+05-6.65839549E+02-3.12941442E+01 4.70992053E-01-3.99335252E-04 3 1.65320770E-07-2.69365396E-11 2.49879087E+05 1.43849568E+02 4 HBHBD4 4/22/92 THERMC 60H 12 0 0G 300.000 5000.000 1396.000 01 1.19336456E+02 8.46943542E-02-3.02348664E-05 4.83124916E-09-2.86010292E-13 2 2.03752796E+05-6.58707454E+02-3.33618114E+01 4.67446123E-01-3.97401297E-04 3 1.64620890E-07-2.68267488E-11 2.53355077E+05 1.50779648E+02 4 HBHBD5 4/22/92 THERMC 60H 10 0 0G 300.000 5000.000 1394.000 01 1.17250725E+02 8.17087501E-02-2.92835520E-05 4.69122049E-09-2.78208195E-13 2 2.07170580E+05-6.53277192E+02-3.55342119E+01 4.64251260E-01-3.95860818E-04 3 1.64095790E-07-2.67442008E-11 2.56849833E+05 1.56833788E+02 4 HBHBD6 4/22/92 THERMC 60H 8 0 0G 300.000 5000.000 1392.000 01 1.15242080E+02 7.85976947E-02-2.82759702E-05 4.54107891E-09-2.69764202E-13 2 2.10572487E+05-6.46862522E+02-3.76241478E+01 4.60811185E-01-3.93949087E-04 3 1.63298475E-07-2.65921680E-11 2.60328127E+05 1.63865983E+02 4 HBHBD7 4/22/92 THERMC 60H 6 0 0G 300.000 5000.000 1857.000 01 9.96842759E+01 9.30929875E-02-3.51302360E-05 5.84162716E-09-3.55912295E-13 2 2.21725663E+05-5.61803231E+02-3.87732704E+01 4.51021409E-01-3.78865234E-04 3 1.52010677E-07-2.36404500E-11 2.63711175E+05 1.65543628E+02 4 HBHBD8 4/22/92 THERMC 60H 4 0 0G 300.000 5000.000 1391.000 01 1.12865611E+02 7.07324891E-02-2.56386659E-05 4.13791384E-09-2.46652280E-13 2 2.16791169E+05-6.44787263E+02-4.46484955E+01 4.66960598E-01-4.06296208E-04 3 1.69727095E-07-2.77007471E-11 2.67681348E+05 1.89513895E+02 4 HBHBD9 4/22/92 THERMC 60H 2 0 0G 300.000 5000.000 1395.000 01 1.11733749E+02 6.69976299E-02-2.43463042E-05 3.93588739E-09-2.34880787E-13 2 2.19811614E+05-6.45056729E+02-5.14078859E+01 4.82062367E-01-4.27110375E-04 3 1.80528536E-07-2.96727559E-11 2.71906575E+05 2.17145297E+02 4 THBHBD2- 4/22/92 C 60H 15 0 0G 300.000 5000.000 1400.000 01 1.23860522E+02 8.77380580E-02-3.11114106E-05 4.94956613E-09-2.92136745E-13 2 2.25214920E+05-6.71344887E+02-3.00036239E+01 4.78572606E-01-4.11739541E-04 3 1.73231511E-07-2.86755979E-11 2.74667364E+05 1.42466785E+02 4 HBHBD3- 4/22/92 C 60H 13 0 0G 300.000 5000.000 1399.000 01 1.21643761E+02 8.48520989E-02-3.01907404E-05 4.81384153E-09-2.84563018E-13 2 2.28728911E+05-6.64361880E+02-3.06705913E+01 4.68980046E-01-4.00892360E-04 3 1.67006471E-07-2.73416030E-11 2.77926082E+05 1.42179793E+02 4 HBHBD4- 4/22/92 C 60H 11 0 0G 300.000 5000.000 1397.000 01 1.19498054E+02 8.19635467E-02-2.92825320E-05 4.68149796E-09-2.77245638E-13 2 2.32174172E+05-6.57894499E+02-3.27110191E+01 4.65334286E-01-3.98829815E-04 3 1.66236478E-07-2.72178822E-11 2.81397384E+05 1.48284801E+02 4 HBHBD5- 4/22/92 C 60H 9 0 0G 300.000 5000.000 1395.000 01 1.17414504E+02 7.89772076E-02-2.83312169E-05 4.54149595E-09-2.69446189E-13 2 2.35591423E+05-6.51781495E+02-3.48770675E+01 4.62128035E-01-3.97282857E-04 3 1.65712020E-07-2.71362754E-11 2.84890695E+05 1.55000366E+02 4 HBHBD6- 4/22/92 C 60H 7 0 0G 300.000 5000.000 1393.000 01 1.15407702E+02 7.58609180E-02-2.73210402E-05 4.39086903E-09-2.60970749E-13 2 2.38990398E+05-6.46076888E+02-3.70253745E+01 4.58896294E-01-3.95644493E-04 3 1.65068391E-07-2.70156860E-11 2.88379258E+05 1.61619362E+02 4 HBHBD7- 4/22/92 C 60H 5 0 0G 300.000 5000.000 1390.000 01 1.13597967E+02 7.24847174E-02-2.62002331E-05 4.22075024E-09-2.51269207E-13 2 2.42451151E+05-6.41191448E+02-3.89011910E+01 4.57163577E-01-3.98182217E-04 3 1.67672469E-07-2.77002855E-11 2.91750809E+05 1.66397395E+02 4 HBHBD8- 4/22/92 C 60H 3 0 0G 300.000 5000.000 1394.000 01 1.13819604E+02 6.72759332E-02-2.44241682E-05 3.94599994E-09-2.35382138E-13 2 2.44926050E+05-6.48520394E+02-4.59885866E+01 4.74121258E-01-4.20155299E-04 3 1.78165553E-07-2.94376023E-11 2.96002079E+05 1.96092583E+02 4 HBHBD9- 4/22/92 C 60H 1 0 0G 300.000 5000.000 1396.000 01 1.11183963E+02 6.43881555E-02-2.34221795E-05 3.78905774E-09-2.26224378E-13 2 2.48561793E+05-6.39244898E+02-4.80421396E+01 4.66715467E-01-4.09784813E-04 3 1.70898661E-07-2.76371594E-11 2.99583062E+05 2.03078249E+02 4 INDENE* 6/26/92 JWB C 9H 7 0 0G 300.000 5000.000 1386.000 01 2.10785591E+01 2.09883995E-02-7.22455211E-06 1.12797468E-09-6.57476329E-14 2 2.54357556E+04-9.09663972E+01-5.77670177E+00 8.55198785E-02-6.63233092E-05 3 2.56579949E-08-3.95933020E-12 3.44774838E+04 5.24545794E+01 4 A3 2/26/92 THERMC 14H 10 0 0G 300.000 5000.000 1384.000 01 3.26767918E+01 3.26895905E-02-1.15123181E-05 1.82295643E-09-1.07239467E-13 2 8.79499665E+03-1.59170250E+02-3.57337687E+00 1.10683703E-01-7.20505269E-05 3 2.14825826E-08-2.24765199E-12 2.19045914E+04 3.76436130E+01 4 A3R5 2/26/92 THERMC 16H 10 0 0G 300.000 5000.000 1385.000 01 3.68070667E+01 3.44282997E-02-1.21473472E-05 1.92590667E-09-1.13393655E-13 2 1.99322176E+04-1.80353722E+02-3.32591410E+00 1.22499285E-01-8.28089506E-05 3 2.62371774E-08-3.07277698E-12 3.42754326E+04 3.69332560E+01 4 A3L 2/26/92 THERMC 14H 10 0 0G 300.000 5000.000 1384.000 01 3.26767918E+01 3.26895905E-02-1.15123181E-05 1.82295643E-09-1.07239467E-13 2 9.90219343E+03-1.59859731E+02-3.57337687E+00 1.10683703E-01-7.20505269E-05 3 2.14825826E-08-2.24765199E-12 2.30117882E+04 3.69541313E+01 4 A2R5JM 2/27/92 THERMC 12H 8 0 0G 300.000 5000.000 1387.000 01 2.70836323E+01 2.70903295E-02-9.54220636E-06 1.51110711E-09-8.88966522E-14 2 1.74989791E+04-1.27192800E+02-4.08220372E+00 9.81077879E-02-7.04376951E-05 3 2.48903795E-08-3.48506622E-12 2.84328051E+04 4.07102281E+01 4 C10H7O 8/28/92 THERMC 10H 7O 1 0G 300.000 5000.000 1406.000 01 2.46630601E+01 2.31978746E-02-8.00911705E-06 1.25182784E-09-7.29867641E-14 2 2.42458366E+03-1.10706113E+02-2.17636830E+00 8.56936863E-02-6.21861338E-05 3 2.19161905E-08-2.98137459E-12 1.15901527E+04 3.32163693E+01 4 A3* 2/26/92 C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 3.98900222E+04-1.46100998E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.15702983E+04 1.84380434E+01 4 !A4 2/26/92 THERMC 16H 10 0 0G 300.000 5000.000 1375.000 01 3.55276450E+01 3.60097000E-02-1.28056240E-05 2.04066160E-09-1.20569087E-13 2 9.76014172E+03-1.76514537E+02-4.35203071E+00 1.22321279E-01-8.21864945E-05 3 2.66888558E-08-3.39428253E-12 2.43163073E+04 4.01394008E+01 4 !A4* 2/26/92 C 16H 9 0 0G 300.000 5000.000 1370.000 01 3.52580112E+01 3.37799342E-02-1.20577497E-05 1.92626216E-09-1.14006421E-13 2 4.02675407E+04-1.72148488E+02-2.70728686E+00 1.13309510E-01-7.24420479E-05 3 2.13864176E-08-2.29813560E-12 5.43717809E+04 3.50144028E+01 4 !A4R5 2/26/92 THERMC 18H 10 0 0G 300.000 5000.000 1378.000 01 3.98337788E+01 3.75693348E-02-1.33723238E-05 2.13226468E-09-1.26035049E-13 2 2.08491146E+04-1.97983525E+02-4.77201687E+00 1.37512276E-01-9.79848505E-05 3 3.44904418E-08-4.87293597E-12 3.67749364E+04 4.31133812E+01 4 !A4YNE 2/27/92 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 01 4.00549856E+01 3.70780570E-02-1.31321889E-05 2.08714093E-09-1.23089687E-13 2 3.54491810E+04-1.95526559E+02-1.66684897E+00 1.29146981E-01-8.88321137E-05 3 2.96510612E-08-3.87600847E-12 5.04370421E+04 3.03979898E+01 4 !A4YNE* 2/27/92 C 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.60214976E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.05697723E+04 2.59457844E+01 4 A5 5/ 4/95 THERMC 20H 12 0 0G 300.000 5000.000 1390.000 01 4.13771364E+01 4.77117039E-02-1.68889214E-05 2.66589823E-09-1.56059275E-13 2 1.30327738E+04-2.06921506E+02-7.83043293E+00 1.67766051E-01-1.30996420E-04 3 5.28679083E-08-8.73472722E-12 2.96541352E+04 5.56194909E+01 4 A5* 5/ 4/95 THERMC 20H 11 0 0G 300.000 5000.000 1390.000 01 4.03457137E+01 4.64453674E-02-1.65200886E-05 2.61354809E-09-1.53220018E-13 2 4.38533198E+04-1.98908338E+02-6.44401587E+00 1.59731225E-01-1.23308549E-04 3 4.92261391E-08-8.06500810E-12 5.97582961E+04 5.10631568E+01 4 A6 5/ 4/95 THERMC 22H 12 0 0G 300.000 5000.000 1390.000 01 4.49875988E+01 5.03024052E-02-1.78980653E-05 2.83432173E-09-1.66288952E-13 2 1.38656916E+04-2.27679078E+02-9.22959119E+00 1.83107217E-01-1.44642490E-04 3 5.88039287E-08-9.75951255E-12 3.21157532E+04 6.13852437E+01 4 A6* 5/ 4/95 THERMC 22H 11 0 0G 300.000 5000.000 1390.000 01 4.39683688E+01 4.90260555E-02-1.75290294E-05 2.78262716E-09-1.63527761E-13 2 4.46787499E+04-2.19740523E+02-7.83000767E+00 1.75002706E-01-1.36835062E-04 3 5.50824364E-08-9.07184493E-12 6.22181786E+04 5.67700240E+01 4 A7 5/ 4/95 THERMC 24H 12 0 0G 300.000 5000.000 1390.000 01 4.86101982E+01 5.28772157E-02-1.89008922E-05 3.00178616E-09-1.76469956E-13 2 1.46941263E+04-2.50296625E+02-1.06425561E+01 1.98516582E-01-1.58382866E-04 3 6.47916942E-08-1.07944491E-11 3.45791921E+04 6.54214369E+01 4 A7* 5/ 4/95 THERMC 24H 11 0 0G 300.000 5000.000 1390.000 01 4.76026321E+01 5.15913065E-02-1.85316707E-05 2.95071424E-09-1.73782521E-13 2 4.55000740E+04-2.40637723E+02-9.23050183E+00 1.90346240E-01-1.50462146E-04 3 6.09944384E-08-1.00896893E-11 6.46799662E+04 6.25420371E+01 4 A2DIEN 4/20/97 THERMC 14H 12 0 0G 300.000 5000.000 1590.000 21 8.26257855E+08-1.64520641E+06 1.11093376E+03-2.93777336E-01 2.53440572E-05 2 -3.04765004E+11-4.52601343E+09 9.67344384E+00 4.32549958E-01-6.12259861E-04 3 3.67617005E-07-7.93641545E-11 4.17248731E+04-1.10365799E+02 4 A2C3H3O 4/20/97 THERMC 13H 10O 1 0G 300.000 5000.000 1392.000 21 3.48739342E+01 2.74131353E-02-9.68902121E-06 1.53799511E-09-9.06317793E-14 2 -4.74046563E+03-1.73435772E+02-2.85935416E+00 1.16401093E-01-8.89360071E-05 3 3.31952137E-08-4.87699403E-12 8.10738838E+03 2.86326956E+01 4 A2C3H3O*S 4/20/97 THERMC 13H 9O 1 0G 300.000 5000.000 1404.000 21 3.17863109E+01 2.89402810E-02-9.96897938E-06 1.55562784E-09-9.05923641E-14 2 2.70585575E+04-1.54239987E+02-1.97526002E+00 1.11269185E-01-8.63896497E-05 3 3.35865912E-08-5.19530363E-12 3.82702126E+04 2.55732199E+01 4 C13H8O 4/20/97 THERMC 13H 8O 1 0G 300.000 5000.000 1405.000 01 3.04941119E+01 2.82887598E-02-9.73287934E-06 1.51757296E-09-8.83273309E-14 2 -1.73152416E+03-1.65838155E+02-1.37257145E+00 1.04822559E-01-7.93287787E-05 3 2.99441201E-08-4.48175163E-12 8.96068676E+03 4.28664624E+00 4 CHRYSEN 4/19/97 THERMC 18H 12 0 0G 300.000 5000.000 1673.000 01 3.31662137E+01 5.08795514E-02-1.87182202E-05 3.06104765E-09-1.84366391E-13 2 1.57642287E+04-1.59238481E+02 3.12629742E+00 1.06385095E-01-4.82700462E-05 3 5.22816930E-09 1.05961625E-12 2.69644034E+04 6.40602579E+00 4 CHRYSEN*S 4/19/97 THERMC 18H 11 0 0G 300.000 5000.000 1553.000 01 3.80927732E+01 4.14888957E-02-1.46997248E-05 2.33682189E-09-1.37836631E-13 2 4.31156376E+04-1.86409947E+02 7.63557478E+00 8.20163654E-02-1.33888864E-05 3 -1.71944312E-08 6.31097097E-12 5.66581749E+04-1.21249371E+01 4 CHRYSEN*P 4/19/97 THERMC 18H 11 0 0G 300.000 5000.000 1553.000 01 3.80927732E+01 4.14888957E-02-1.46997248E-05 2.33682189E-09-1.37836631E-13 2 4.38705445E+04-1.86409947E+02 7.63557478E+00 8.20163654E-02-1.33888864E-05 3 -1.71944312E-08 6.31097097E-12 5.74130818E+04-1.21249371E+01 4 BKFLUOR 5/ 2/97 THERMC 20H 12 0 0G 300.000 5000.000 1387.000 01 4.39402663E+01 4.40017872E-02-1.55309526E-05 2.46293848E-09-1.45035585E-13 2 2.22817604E+04-2.22570067E+02-8.86969640E+00 1.62847270E-01-1.14954783E-04 3 3.90780181E-08-5.13272887E-12 4.08867720E+04 6.23486502E+01 4 BKFLUOR*P 5/ 2/97 THERMC 20H 11 0 0G 300.000 5000.000 1384.000 01 4.33832736E+01 4.20967861E-02-1.49124799E-05 2.37050720E-09-1.39822351E-13 2 5.36228405E+04-2.18020029E+02-7.75759002E+00 1.55731875E-01-1.08243350E-04 3 3.58490005E-08-4.53057470E-12 7.17946027E+04 5.84264715E+01 4 BKFLUOR*S 5/ 2/97 THERMC 20H 11 0 0G 300.000 5000.000 1384.000 01 4.33832736E+01 4.20967861E-02-1.49124799E-05 2.37050720E-09-1.39822351E-13 2 5.28679336E+04-2.18020029E+02-7.75759002E+00 1.55731875E-01-1.08243350E-04 3 3.58490005E-08-4.53057470E-12 7.10396958E+04 5.84264715E+01 4 BBFLUOR 5/ 2/97 THERMC 20H 12 0 0G 300.000 5000.000 1387.000 01 4.39402663E+01 4.40017872E-02-1.55309526E-05 2.46293848E-09-1.45035585E-13 2 2.11745636E+04-2.22570067E+02-8.86969640E+00 1.62847270E-01-1.14954783E-04 3 3.90780181E-08-5.13272887E-12 3.97795752E+04 6.23486502E+01 4 BBFLUOR*P 5/ 2/97 THERMC 20H 11 0 0G 300.000 5000.000 1384.000 01 4.33832736E+01 4.20967861E-02-1.49124799E-05 2.37050720E-09-1.39822351E-13 2 5.25156437E+04-2.18020029E+02-7.75759002E+00 1.55731875E-01-1.08243350E-04 3 3.58490005E-08-4.53057470E-12 7.06874059E+04 5.84264715E+01 4 BBFLUOR*S 5/ 2/97 THERMC 20H 11 0 0G 300.000 5000.000 1384.000 01 4.33832736E+01 4.20967861E-02-1.49124799E-05 2.37050720E-09-1.39822351E-13 2 5.17607368E+04-2.18020029E+02-7.75759002E+00 1.55731875E-01-1.08243350E-04 3 3.58490005E-08-4.53057470E-12 6.99324990E+04 5.84264715E+01 4 BGHIPER 4/19/97 THERMC 22H 12 0 0G 300.000 5000.000 1369.000 01 4.81256280E+01 4.63751387E-02-1.65412148E-05 2.64117181E-09-1.56262861E-13 2 1.22951825E+04-2.45189878E+02-1.36730450E+00 1.48143318E-01-9.16739936E-05 3 2.57814320E-08-2.54438862E-12 3.09195278E+04 2.56313149E+01 4 BGHIPER*S 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.31001224E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.07589096E+04 1.32343772E+01 4 BGHIPE*S1 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.31001224E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.07589096E+04 1.32343772E+01 4 BGHIPE*S2 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.31001224E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.07589096E+04 1.32343772E+01 4 BGHIPER*P 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.38550293E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.15138165E+04 1.32343772E+01 4 INPYR 5/ 2/97 THERMC 22H 12 0 0G 300.000 5000.000 1381.000 01 4.76653784E+01 4.65937341E-02-1.65769176E-05 2.64248784E-09-1.56163481E-13 2 2.18367238E+04-2.44196906E+02-1.14383875E+01 1.84037939E-01-1.38944611E-04 3 5.24653842E-08-8.00697910E-12 4.24074317E+04 7.34314710E+01 4 INPYR*P 5/ 2/97 THERMC 22H 11 0 0G 300.000 5000.000 1379.000 01 4.73012667E+01 4.44412652E-02-1.58547434E-05 2.53197420E-09-1.49821165E-13 2 5.31602000E+04-2.40624137E+02-1.04229973E+01 1.78363459E-01-1.34897905E-04 3 5.09966945E-08-7.80121596E-12 7.33003053E+04 6.97344032E+01 4 INPYR*S 5/ 2/97 THERMC 22H 11 0 0G 300.000 5000.000 1379.000 01 4.73012667E+01 4.44412652E-02-1.58547434E-05 2.53197420E-09-1.49821165E-13 2 5.24052931E+04-2.40624137E+02-1.04229973E+01 1.78363459E-01-1.34897905E-04 3 5.09966945E-08-7.80121596E-12 7.25453984E+04 6.97344032E+01 4 ANTHAN 4/19/97 THERMC 22H 12 0 0G 300.000 5000.000 1369.000 01 4.81256280E+01 4.63751387E-02-1.65412148E-05 2.64117181E-09-1.56262861E-13 2 1.34023793E+04-2.46573874E+02-1.36730450E+00 1.48143318E-01-9.16739936E-05 3 2.57814320E-08-2.54438862E-12 3.20267246E+04 2.42473189E+01 4 ANTHAN*T 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.32007767E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.08595638E+04 1.32343772E+01 4 ANTHAN*S 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.42073192E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.18661063E+04 1.32343772E+01 4 ANTHAN*P 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.49622261E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.26210132E+04 1.32343772E+01 4 A4L 4/17/97 THERMC 18H 12 0 0G 300.000 5000.000 1673.000 01 3.31662137E+01 5.08795514E-02-1.87182202E-05 3.06104765E-09-1.84366391E-13 2 1.79786223E+04-1.59927963E+02 3.12629742E+00 1.06385095E-01-4.82700462E-05 3 5.22816930E-09 1.05961625E-12 2.91787969E+04 5.71654416E+00 4 A4L*T 4/17/97 THERMC 18H 11 0 0G 300.000 5000.000 1553.000 01 3.80927732E+01 4.14888957E-02-1.46997248E-05 2.33682189E-09-1.37836631E-13 2 4.43234887E+04-1.86409947E+02 7.63557478E+00 8.20163654E-02-1.33888864E-05 3 -1.71944312E-08 6.31097097E-12 5.78660260E+04-1.21249371E+01 4 A4L*S 4/17/97 THERMC 18H 11 0 0G 300.000 5000.000 1553.000 01 3.80927732E+01 4.14888957E-02-1.46997248E-05 2.33682189E-09-1.37836631E-13 2 4.53300312E+04-1.86409947E+02 7.63557478E+00 8.20163654E-02-1.33888864E-05 3 -1.71944312E-08 6.31097097E-12 5.88725685E+04-1.21249371E+01 4 A4L*P 4/17/97 THERMC 18H 11 0 0G 300.000 5000.000 1553.000 01 3.80927732E+01 4.14888957E-02-1.46997248E-05 2.33682189E-09-1.37836631E-13 2 4.60849381E+04-1.86409947E+02 7.63557478E+00 8.20163654E-02-1.33888864E-05 3 -1.71944312E-08 6.31097097E-12 5.96274754E+04-1.21249371E+01 4 A4LOH 4/17/97 THERMC 18H 12O 1 0G 300.000 5000.000 1505.000 11 4.26153463E+01 4.12291364E-02-1.43663571E-05 2.25919779E-09-1.32275371E-13 2 -3.38137889E+03-2.10377232E+02 2.74692707E+00 1.18338118E-01-6.12608306E-05 3 9.26538305E-09 1.06714719E-12 1.17411008E+04 8.88213566E+00 4 A4LO* 4/17/97 THERMC 18H 11O 1 0G 300.000 5000.000 1472.000 11 4.19791641E+01 3.94378999E-02-1.37967895E-05 2.17535856E-09-1.27599735E-13 2 1.42693772E+04-2.07379516E+02 3.54465069E+00 1.11485176E-01-5.40997826E-05 3 5.46358080E-09 1.83640895E-12 2.90642653E+04 4.78551005E+00 4 A3CH2R 4/17/97 THERMC 15H 10 0 0G 300.000 5000.000 1679.000 01 3.08754522E+01 3.89931085E-02-1.43304911E-05 2.34246042E-09-1.41059587E-13 2 1.09638783E+04-1.63029882E+02 3.29405799E-02 1.05397773E-01-6.34852388E-05 3 1.67185481E-08-1.41534092E-12 2.15411920E+04 3.64655977E+00 4 A3CHR 4/17/97 THERMC 15H 9 0 0G 300.000 5000.000 1675.000 01 3.00729349E+01 3.70944319E-02-1.36621269E-05 2.23622576E-09-1.34782803E-13 2 2.83269892E+04-1.57691467E+02 1.96426603E+00 9.59591448E-02-5.51357434E-05 3 1.31783499E-08-8.40036000E-13 3.81271023E+04-5.19622308E+00 4 A3CH2R*S 4/17/97 THERMC 15H 9 0 0G 300.000 5000.000 1669.000 01 2.88805281E+01 3.83287198E-02-1.41425232E-05 2.31736123E-09-1.39768435E-13 2 4.21438028E+04-1.49405508E+02 3.88570119E+00 8.60834920E-02-4.17841116E-05 3 6.03785705E-09 5.03617080E-13 5.13008637E+04-1.21621611E+01 4 A3CH2R*P 4/17/97 THERMC 15H 9 0 0G 300.000 5000.000 1669.000 01 2.88805281E+01 3.83287198E-02-1.41425232E-05 2.31736123E-09-1.39768435E-13 2 4.28987097E+04-1.49405508E+02 3.88570119E+00 8.60834920E-02-4.17841116E-05 3 6.03785705E-09 5.03617080E-13 5.20557706E+04-1.21621611E+01 4 C17H12 4/17/97 THERMC 17H 12 0 0G 300.000 5000.000 1405.000 01 4.11040047E+01 3.67792562E-02-1.26036220E-05 1.96087752E-09-1.13984330E-13 2 9.47510476E+03-2.16049363E+02-8.58343979E+00 1.60057584E-01-1.28765404E-04 3 5.12280781E-08-8.03214186E-12 2.56750173E+04 4.76882177E+01 4 C17H11M 4/17/97 THERMC 17H 11 0 0G 300.000 5000.000 1410.000 01 4.06262078E+01 3.46697961E-02-1.18794970E-05 1.84792660E-09-1.07401885E-13 2 2.67976206E+04-2.12482011E+02-8.37016686E+00 1.58905749E-01-1.31923216E-04 3 5.41744381E-08-8.76018156E-12 4.24943057E+04 4.66202287E+01 4 C17H11S 4/17/97 THERMC 17H 11 0 0G 300.000 5000.000 1404.000 01 4.01880477E+01 3.54044151E-02-1.22112276E-05 1.90772415E-09-1.11203850E-13 2 4.02206478E+04-2.09435284E+02-7.18711111E+00 1.52071402E-01-1.21317365E-04 3 4.78476033E-08-7.44481624E-12 5.57757025E+04 4.23749077E+01 4 C17H11P 4/17/97 THERMC 17H 11 0 0G 300.000 5000.000 1404.000 01 4.01880477E+01 3.54044151E-02-1.22112276E-05 1.90772415E-09-1.11203850E-13 2 4.09755547E+04-2.09435284E+02-7.18711111E+00 1.52071402E-01-1.21317365E-04 3 4.78476033E-08-7.44481624E-12 5.65306094E+04 4.23749077E+01 4 INDENE*V indene C 9H 7 0 0G 300.000 5000.000 1400.000 01 2.20967008E+01 1.97695484E-02-6.72867353E-06 1.04293546E-09-6.04937935E-14 2 3.69251409E+04-9.67600911E+01-8.47829187E+00 9.81509567E-02-8.35913124E-05 3 3.51669723E-08-5.82495221E-12 4.66478474E+04 6.46475934E+01 4 BENZNAP 5/ 7/97 THERMC 17H 14 0 0G 300.000 5000.000 1401.000 21 3.97312584E+01 4.26008434E-02-1.46937040E-05 2.29500053E-09-1.33737802E-13 2 7.69581435E+03-1.90039002E+02-8.89129718E+00 1.58769839E-01-1.19756179E-04 3 4.49829278E-08-6.70081411E-12 2.40852982E+04 6.97802815E+01 4 BENZNAP*P 5/ 7/97 THERMC 17H 13 0 0G 300.000 5000.000 1399.000 21 3.88954781E+01 4.11238813E-02-1.42614963E-05 2.23537593E-09-1.30576801E-13 2 3.91556493E+04-1.83892318E+02-7.35122364E+00 1.50114013E-01-1.11256285E-04 3 4.09326552E-08-5.96521825E-12 5.49197569E+04 6.38064985E+01 4 ACEPHA 5/ 2/97 THERMC 16H 10 0 0G 300.000 5000.000 1393.000 01 3.45408495E+01 3.60088560E-02-1.26153597E-05 1.99084014E-09-1.16843528E-13 2 2.79133193E+04-1.66230255E+02-7.50046241E+00 1.30600496E-01-9.11428648E-05 3 3.03367632E-08-3.82604958E-12 4.26642336E+04 6.04904962E+01 4 ACEPHA*P 5/ 2/97 THERMC 16H 9 0 0G 300.000 5000.000 1389.000 01 3.39063904E+01 3.41969014E-02-1.20342641E-05 1.90473398E-09-1.12016590E-13 2 5.92948042E+04-1.61218003E+02-6.31920951E+00 1.23339821E-01-8.44352403E-05 3 2.72100419E-08-3.26136023E-12 7.35577547E+04 5.62170032E+01 4 ACEPHA*S 5/ 2/97 THERMC 16H 9 0 0G 300.000 5000.000 1389.000 01 3.39063904E+01 3.41969014E-02-1.20342641E-05 1.90473398E-09-1.12016590E-13 2 5.85398973E+04-1.61218003E+02-6.31920951E+00 1.23339821E-01-8.44352403E-05 3 2.72100419E-08-3.26136023E-12 7.28028478E+04 5.62170032E+01 4 BAPYR 4/24/97 THERMC 20H 12 0 0G 300.000 5000.000 1373.000 01 4.46587811E+01 4.38683433E-02-1.55934247E-05 2.48422256E-09-1.46748672E-13 2 1.24605731E+04-2.25482194E+02-2.08146408E+00 1.40317388E-01-8.64400516E-05 3 2.37333999E-08-2.15247872E-12 2.99280993E+04 3.00065203E+01 4 BAPYR*P 4/24/97 THERMC 20H 11 0 0G 300.000 5000.000 1367.000 01 4.42864852E+01 4.17445643E-02-1.48863371E-05 2.37663494E-09-1.40600809E-13 2 4.37399677E+04-2.21959150E+02-3.62587203E-01 1.30524557E-01-7.53627823E-05 3 1.75825498E-08-8.69471980E-13 6.07409059E+04 2.32559064E+01 4 BAPYR*S 4/24/97 THERMC 20H 11 0 0G 300.000 5000.000 1367.000 01 4.42864852E+01 4.17445643E-02-1.48863371E-05 2.37663494E-09-1.40600809E-13 2 4.29850608E+04-2.21959150E+02-3.62587203E-01 1.30524557E-01-7.53627823E-05 3 1.75825498E-08-8.69471980E-13 5.99859990E+04 2.32559064E+01 4 BAPYR*T 4/24/97 THERMC 20H 11 0 0G 300.000 5000.000 1367.000 01 4.42864852E+01 4.17445643E-02-1.48863371E-05 2.37663494E-09-1.40600809E-13 2 4.19785182E+04-2.21959150E+02-3.62587203E-01 1.30524557E-01-7.53627823E-05 3 1.75825498E-08-8.69471980E-13 5.89794564E+04 2.32559064E+01 4 PYRYNE 5/ 1/97 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 01 4.00549856E+01 3.70780570E-02-1.31321889E-05 2.08714093E-09-1.23089687E-13 2 3.54491810E+04-1.95526559E+02-1.66684897E+00 1.29146981E-01-8.88321137E-05 3 2.96510612E-08-3.87600847E-12 5.04370421E+04 3.03979898E+01 4 PYRYNE*S 5/ 1/97 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.60214976E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.05697723E+04 2.59457844E+01 4 PYRYNE*P 5/ 1/97 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.67764045E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.13246792E+04 2.59457844E+01 4 CPCDPYR 5/ 2/97 THERMC 18H 10 0 0G 300.000 5000.000 1383.000 01 3.81011084E+01 3.88558242E-02-1.37732143E-05 2.19022405E-09-1.29218343E-13 2 2.86627702E+04-1.86866502E+02-9.06647902E+00 1.47876540E-01-1.09826666E-04 3 4.07015268E-08-6.07728691E-12 4.51259364E+04 6.68172646E+01 4 CPCDPYR*V 5/ 2/97 THERMC 18H 9 0 0G 300.000 5000.000 1385.000 01 3.82615505E+01 3.61283736E-02-1.28225693E-05 2.04079233E-09-1.20474561E-13 2 5.70831716E+04-1.86050416E+02-8.44293089E+00 1.45872407E-01-1.11409912E-04 3 4.24128015E-08-6.48970746E-12 7.31727673E+04 6.44516049E+01 4 CPCDPYR*P 5/ 2/97 THERMC 18H 9 0 0G 300.000 5000.000 1380.000 01 3.76026573E+01 3.68461213E-02-1.31067220E-05 2.08907918E-09-1.23449158E-13 2 5.99946745E+04-1.82616459E+02-7.80902218E+00 1.40190492E-01-1.02231702E-04 3 3.68733672E-08-5.33193189E-12 7.60091050E+04 6.22028179E+01 4 CPCDPYR*S 5/ 2/97 THERMC 18H 9 0 0G 300.000 5000.000 1380.000 01 3.76026573E+01 3.68461213E-02-1.31067220E-05 2.08907918E-09-1.23449158E-13 2 5.92397676E+04-1.82616459E+02-7.80902218E+00 1.40190492E-01-1.02231702E-04 3 3.68733672E-08-5.33193189E-12 7.52541981E+04 6.22028179E+01 4 CPBPER 5/ 3/97 THERMC 24H 12 0 0G 300.000 5000.000 1377.000 01 5.12101587E+01 4.89830306E-02-1.74723344E-05 2.78999033E-09-1.65074970E-13 2 3.07883283E+04-2.60357152E+02-9.65221751E+00 1.87487156E-01-1.37593123E-04 3 5.03122072E-08-7.44471861E-12 5.23225860E+04 6.78810838E+01 4 CPBPER*V 5/ 3/97 THERMC 24H 11 0 0G 300.000 5000.000 1378.000 01 5.14056363E+01 4.62144880E-02-1.65049674E-05 2.63768023E-09-1.56152649E-13 2 5.91997821E+04-2.59733305E+02-9.07220610E+00 1.85708045E-01-1.39453021E-04 3 5.21498205E-08-7.87620374E-12 8.03745994E+04 6.57076065E+01 4 CPBPER*P 5/ 3/97 THERMC 24H 11 0 0G 300.000 5000.000 1374.000 01 5.03255777E+01 4.71172686E-02-1.68123631E-05 2.68517901E-09-1.58896702E-13 2 6.25100153E+04-2.53340511E+02-5.71847132E+00 1.70916841E-01-1.19654740E-04 3 4.11010118E-08-5.64475814E-12 8.27214536E+04 5.02528061E+01 4 CPBPER*S 5/ 3/97 THERMC 24H 11 0 0G 300.000 5000.000 1374.000 01 5.03255777E+01 4.71172686E-02-1.68123631E-05 2.68517901E-09-1.58896702E-13 2 6.17551084E+04-2.53340511E+02-5.71847132E+00 1.70916841E-01-1.19654740E-04 3 4.11010118E-08-5.64475814E-12 8.19665467E+04 5.02528061E+01 4 CORONEN 4/25/97 THERMC 24H 12 0 0G 300.000 5000.000 1390.000 01 4.86101982E+01 5.28772157E-02-1.89008922E-05 3.00178616E-09-1.76469956E-13 2 1.46941263E+04-2.50296625E+02-1.06425561E+01 1.98516582E-01-1.58382866E-04 3 6.47916942E-08-1.07944491E-11 3.45791921E+04 6.54214369E+01 4 CORONEN*P 4/25/97 THERMC 24H 11 0 0G 300.000 5000.000 1390.000 01 4.76026321E+01 5.15913065E-02-1.85316707E-05 2.95071424E-09-1.73782521E-13 2 4.62549809E+04-2.40637723E+02-9.23050183E+00 1.90346240E-01-1.50462146E-04 3 6.09944384E-08-1.00896893E-11 6.54348731E+04 6.25420371E+01 4 CORONEN*S 4/25/97 THERMC 24H 11 0 0G 300.000 5000.000 1390.000 01 4.76026321E+01 5.15913065E-02-1.85316707E-05 2.95071424E-09-1.73782521E-13 2 4.55000740E+04-2.40637723E+02-9.23050183E+00 1.90346240E-01-1.50462146E-04 3 6.09944384E-08-1.00896893E-11 6.46799662E+04 6.25420371E+01 4 PYRENE 4/25/97 THERMC 16H 10 0 0G 300.000 5000.000 1375.000 01 3.55276450E+01 3.60097000E-02-1.28056240E-05 2.04066160E-09-1.20569087E-13 2 9.76014172E+03-1.76514537E+02-4.35203071E+00 1.22321279E-01-8.21864945E-05 3 2.66888558E-08-3.39428253E-12 2.43163073E+04 4.01394008E+01 4 PYRENE*P 4/25/97 THERMC 16H 9 0 0G 300.000 5000.000 1370.000 01 3.52580112E+01 3.37799342E-02-1.20577497E-05 1.92626216E-09-1.14006421E-13 2 4.10224476E+04-1.72843003E+02-2.70728686E+00 1.13309510E-01-7.24420479E-05 3 2.13864176E-08-2.29813560E-12 5.51266878E+04 3.43198885E+01 4 PYRENE*S 4/25/97 THERMC 16H 9 0 0G 300.000 5000.000 1370.000 01 3.52580112E+01 3.37799342E-02-1.20577497E-05 1.92626216E-09-1.14006421E-13 2 4.02675407E+04-1.72148488E+02-2.70728686E+00 1.13309510E-01-7.24420479E-05 3 2.13864176E-08-2.29813560E-12 5.43717809E+04 3.50144028E+01 4 PYRENE*S1 4/25/97 THERMC 16H 9 0 0G 300.000 5000.000 1370.000 01 3.52580112E+01 3.37799342E-02-1.20577497E-05 1.92626216E-09-1.14006421E-13 2 4.02675407E+04-1.72148488E+02-2.70728686E+00 1.13309510E-01-7.24420479E-05 3 2.13864176E-08-2.29813560E-12 5.43717809E+04 3.50144028E+01 4 PYRENE*S2 4/25/97 THERMC 16H 9 0 0G 300.000 5000.000 1370.000 01 3.52580112E+01 3.37799342E-02-1.20577497E-05 1.92626216E-09-1.14006421E-13 2 4.02675407E+04-1.72148488E+02-2.70728686E+00 1.13309510E-01-7.24420479E-05 3 2.13864176E-08-2.29813560E-12 5.43717809E+04 3.50144028E+01 4 PYRYNEP 5/ 2/97 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 01 4.00549856E+01 3.70780570E-02-1.31321889E-05 2.08714093E-09-1.23089687E-13 2 3.54491810E+04-1.96221074E+02-1.66684897E+00 1.29146981E-01-8.88321137E-05 3 2.96510612E-08-3.87600847E-12 5.04370421E+04 2.97034755E+01 4 PYRYNEP*P 5/ 2/97 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.67764045E+04-1.91950650E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.13246792E+04 2.52512700E+01 4 PYRYNEP*S 5/ 2/97 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.60214976E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.05697723E+04 2.59457844E+01 4 BEPYREN 4/26/97 THERMC 20H 12 0 0G 300.000 5000.000 1373.000 01 4.46587811E+01 4.38683433E-02-1.55934247E-05 2.48422256E-09-1.46748672E-13 2 1.13533763E+04-2.25482194E+02-2.08146408E+00 1.40317388E-01-8.64400516E-05 3 2.37333999E-08-2.15247872E-12 2.88209026E+04 3.00065203E+01 4 BENZYLB* 5/ 7/97 THERMC 13H 11 0 0G 300.000 5000.000 1396.000 21 3.04698372E+01 3.23445549E-02-1.10940730E-05 1.72680045E-09-1.00400287E-13 2 3.51047561E+04-1.37460403E+02-9.81839341E+00 1.34012501E-01-1.10035370E-04 3 4.57009843E-08-7.59297167E-12 4.81985692E+04 7.59982040E+01 4 FLUORENE 5/ 7/97 THERMC 13H 10 0 0G 300.000 5000.000 1402.000 01 3.36421127E+01 2.75658537E-02-9.37817001E-06 1.45328026E-09-8.42851588E-14 2 4.86817484E+03-1.76264142E+02-1.08974622E+01 1.42446438E-01-1.22616945E-04 3 5.19230548E-08-8.63180805E-12 1.89392969E+04 5.85778763E+01 4 A3YNE 2/26/92 THERMC 16H 10 0 0G 300.000 5000.000 1439.000 01 3.92417021E+01 3.27666856E-02-1.16729340E-05 1.86285015E-09-1.10189467E-13 2 3.28650165E+04-1.92332860E+02 6.73071383E-01 1.00994465E-01-4.28140365E-05 3 -1.73874269E-09 3.52917495E-12 4.80256447E+04 2.18652964E+01 4 A3YNE* 2/26/92 THERMC 16H 9 0 0G 300.000 5000.000 2041.000 01 3.14962683E+01 3.80620384E-02-1.39070281E-05 2.26458675E-09-1.36013704E-13 2 6.85997160E+04-1.44014153E+02 1.04329347E+00 1.05935825E-01-6.71208780E-05 3 1.95274459E-08-2.04789668E-12 7.88473379E+04 1.97498174E+01 4 C10H7S 2/27/92 THERMC 10H 7 0 0G 300.000 5000.000 1379.000 01 2.22380553E+01 2.35872467E-02-8.33863288E-06 1.32367120E-09-7.79981744E-14 2 3.69919748E+04-9.91887914E+01-2.56171206E+00 7.58027748E-02-4.78602931E-05 3 1.37735979E-08-1.37699108E-12 4.61300575E+04 3.59559677E+01 4 C10H7P 2/27/92 THERMC 10H 7 0 0G 300.000 5000.000 1379.000 01 2.22380553E+01 2.35872467E-02-8.33863288E-06 1.32367120E-09-7.79981744E-14 2 3.77468817E+04-9.91887914E+01-2.56171206E+00 7.58027748E-02-4.78602931E-05 3 1.37735979E-08-1.37699108E-12 4.68849644E+04 3.59559677E+01 4 A2YNES 2/27/92 THERMC 12H 8 0 0G 300.000 5000.000 1395.000 01 2.77513730E+01 2.58504257E-02-8.96641237E-06 1.40586625E-09-8.21490369E-14 2 3.19504921E+04-1.26509319E+02-1.21315585E+00 9.03874368E-02-6.14013033E-05 3 1.95655701E-08-2.27998642E-12 4.21385331E+04 2.98514264E+01 4 A2YNEP 2/27/92 THERMC 12H 8 0 0G 300.000 5000.000 1395.000 01 2.77513730E+01 2.58504257E-02-8.96641237E-06 1.40586625E-09-8.21490369E-14 2 3.19504921E+04-1.26509319E+02-1.21315585E+00 9.03874368E-02-6.14013033E-05 3 1.95655701E-08-2.27998642E-12 4.21385331E+04 2.98514264E+01 4 A2YNEP* 2/27/92 C 12H 7 0 0G 300.000 5000.000 1389.000 01 2.70034131E+01 2.42392626E-02-8.47579553E-06 1.33594653E-09-7.83435427E-14 2 6.26187877E+04-1.20863954E+02 1.79297321E-01 8.23006570E-02-5.36166400E-05 3 1.58802039E-08-1.61184542E-12 7.22424354E+04 2.45777629E+01 4 A2YNES* 2/27/92 C 12H 7 0 0G 300.000 5000.000 1389.000 01 2.70034131E+01 2.42392626E-02-8.47579553E-06 1.33594653E-09-7.83435427E-14 2 6.33736946E+04-1.20863954E+02 1.79297321E-01 8.23006570E-02-5.36166400E-05 3 1.58802039E-08-1.61184542E-12 7.29973423E+04 2.45777629E+01 4 A2YNEP*P C 12H 7 0 0G 300.000 5000.000 1389.000 01 2.70034131E+01 2.42392626E-02-8.47579553E-06 1.33594653E-09-7.83435427E-14 2 6.33736946E+04-1.20863954E+02 1.79297321E-01 8.23006570E-02-5.36166400E-05 3 1.58802039E-08-1.61184542E-12 7.29973423E+04 2.45777629E+01 4 A2YNEP*S C 12H 7 0 0G 300.000 5000.000 1389.000 01 2.70034131E+01 2.42392626E-02-8.47579553E-06 1.33594653E-09-7.83435427E-14 2 6.26187877E+04-1.20863954E+02 1.79297321E-01 8.23006570E-02-5.36166400E-05 3 1.58802039E-08-1.61184542E-12 7.22424354E+04 2.45777629E+01 4 A3*P C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 4.06449291E+04-1.46795513E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.23252052E+04 1.77435290E+01 4 A3*S C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 3.98900222E+04-1.46795513E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.15702983E+04 1.77435290E+01 4 A3*S1 C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 3.98900222E+04-1.46795513E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.15702983E+04 1.77435290E+01 4 A3*S2 C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 3.98900222E+04-1.46795513E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.15702983E+04 1.77435290E+01 4 A3L*P C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 4.17521259E+04-1.47484994E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.34324019E+04 1.70540474E+01 4 A3L*S C 14H 9 0 0G 300.000 5000.000 1366.000 01 3.07610958E+01 3.19900926E-02-1.13204921E-05 1.79819861E-09-1.06008629E-13 2 4.09972190E+04-1.47484994E+02 1.05262245E+00 8.69815885E-02-4.26010819E-05 3 5.43132760E-09 9.55970819E-13 5.26774950E+04 1.70540474E+01 4 A3YNE*P C 16H 9 0 0G 300.000 5000.000 2041.000 01 3.14962683E+01 3.80620384E-02-1.39070281E-05 2.26458675E-09-1.36013704E-13 2 6.85997160E+04-1.44014153E+02 1.04329347E+00 1.05935825E-01-6.71208780E-05 3 1.95274458E-08-2.04789668E-12 7.88473379E+04 1.97498174E+01 4 A3YNE*S C 16H 9 0 0G 300.000 5000.000 2041.000 01 3.14962683E+01 3.80620384E-02-1.39070281E-05 2.26458675E-09-1.36013704E-13 2 6.78448091E+04-1.44014153E+02 1.04329347E+00 1.05935825E-01-6.71208780E-05 3 1.95274458E-08-2.04789668E-12 7.80924310E+04 1.97498174E+01 4 A3LYNE 5/29/97 THERMC 16H 10 0 0G 300.000 5000.000 1439.000 01 3.92417021E+01 3.27666856E-02-1.16729340E-05 1.86285015E-09-1.10189467E-13 2 3.39722133E+04-1.92332860E+02 6.73071383E-01 1.00994465E-01-4.28140365E-05 3 -1.73874269E-09 3.52917495E-12 4.91328415E+04 2.18652964E+01 4 A3LYNE*P 5/29/97 THERMC 16H 9 0 0G 300.000 5000.000 2041.000 01 3.14962683E+01 3.80620384E-02-1.39070281E-05 2.26458675E-09-1.36013704E-13 2 6.97069128E+04-1.44014153E+02 1.04329347E+00 1.05935825E-01-6.71208780E-05 3 1.95274458E-08-2.04789668E-12 7.99545347E+04 1.97498174E+01 4 A3LYNE*S 5/29/97 THERMC 16H 9 0 0G 300.000 5000.000 2041.000 01 3.14962683E+01 3.80620384E-02-1.39070281E-05 2.26458675E-09-1.36013704E-13 2 6.89520059E+04-1.44014153E+02 1.04329347E+00 1.05935825E-01-6.71208780E-05 3 1.95274458E-08-2.04789668E-12 7.91996278E+04 1.97498174E+01 4 A3LYNE*T 5/29/97 THERMC 16H 9 0 0G 300.000 5000.000 2041.000 01 3.14962683E+01 3.80620384E-02-1.39070281E-05 2.26458675E-09-1.36013704E-13 2 6.79454634E+04-1.44014153E+02 1.04329347E+00 1.05935825E-01-6.71208780E-05 3 1.95274458E-08-2.04789668E-12 7.81930853E+04 1.97498174E+01 4 PYRENEO 6/25/97 C 16H 9O 1 0G 300.000 5000.000 1374.000 11 3.67542339E+01 3.45111740E-02-1.22811275E-05 1.95796246E-09-1.15718976E-13 2 9.88291797E+03-1.79847526E+02-8.24995778E-01 1.14473818E-01-7.48334768E-05 3 2.32539712E-08-2.76393676E-12 2.37412543E+04 2.48034465E+01 4 PYRENEOH 6/25/97 C 16H 10O 1 0G 300.000 5000.000 1377.000 11 3.72964584E+01 3.65139070E-02-1.29518244E-05 2.06044489E-09-1.21593360E-13 2 -7.75128557E+03-1.82363123E+02-1.87864875E+00 1.22619996E-01-8.42032244E-05 3 2.86222708E-08-3.91650802E-12 6.45351377E+03 3.00577634E+01 4 PYRENECH2 6/25/97 C 17H 11 0 0G 300.000 5000.000 1377.000 11 3.88418731E+01 3.79232059E-02-1.34792135E-05 2.14728605E-09-1.26839782E-13 2 2.33178521E+04-1.91117007E+02-3.77929261E+00 1.31152896E-01-8.95882223E-05 3 2.97812697E-08-3.90809474E-12 3.87647222E+04 4.00615541E+01 4 PYRENECH3 6/25/97 C 17H 12 0 0G 300.000 5000.000 1377.000 11 3.80964624E+01 4.10410185E-02-1.45392576E-05 2.31102823E-09-1.36300617E-13 2 4.38466744E+03-1.87005123E+02-3.66296636E+00 1.30661957E-01-8.60100089E-05 3 2.75482158E-08-3.48060656E-12 1.97511316E+04 4.02102253E+01 4 BGHIF 6/29/97 THERMC 18H 10 0 0G 300.000 5000.000 1397.000 01 4.03484789E+01 3.60369349E-02-1.25974449E-05 1.98535622E-09-1.16421390E-13 2 2.33917123E+04-2.03794640E+02-1.35024568E+01 1.75273343E-01-1.52006334E-04 3 6.58323068E-08-1.13175755E-11 4.05739002E+04 8.03624456E+01 4 BGHIFCH3 6/29/97 THERMC 19H 12 0 0G 300.000 5000.000 1395.000 11 4.28063920E+01 4.10806322E-02-1.43191382E-05 2.25232143E-09-1.31897403E-13 2 1.82407422E+04-2.14644116E+02-1.22831332E+01 1.79166051E-01-1.47843782E-04 3 6.12771003E-08-1.01482938E-11 3.62596436E+04 7.76032641E+01 4 BGHIFCH2 6/29/97 THERMC 19H 11 0 0G 300.000 5000.000 1397.000 11 4.34547522E+01 3.81202037E-02-1.33290723E-05 2.10106504E-09-1.23224559E-13 2 3.72104521E+04-2.18212349E+02-1.25535028E+01 1.80510660E-01-1.52962386E-04 3 6.46128144E-08-1.08439738E-11 5.52927761E+04 7.81370022E+01 4 CORCH3 6/29/97 THERMC 21H 12 0 0G 300.000 5000.000 1395.000 11 4.57318555E+01 4.37759950E-02-1.52720250E-05 2.40382928E-09-1.40842642E-13 2 2.91790616E+04-2.32190263E+02-1.55081584E+01 1.97147572E-01-1.63130464E-04 3 6.74408171E-08-1.11080443E-11 4.91874659E+04 9.26731421E+01 4 CORCH2 6/29/97 THERMC 21H 11 0 0G 300.000 5000.000 1396.000 11 4.63765207E+01 4.08205033E-02-1.42839647E-05 2.25291017E-09-1.32190193E-13 2 4.81505579E+04-2.35737129E+02-1.57871326E+01 1.98532949E-01-1.68314029E-04 3 7.08185553E-08-1.18131876E-11 6.82218472E+04 9.32462853E+01 4 A2R5 6/29/97 THERMC 12H 8 0 0G 300.000 5000.000 1405.000 01 2.64701074E+01 2.66452920E-02-9.17640113E-06 1.43201281E-09-8.34048655E-14 2 2.46188465E+04-1.21246590E+02-1.08454077E+01 1.22966470E-01-1.04776455E-04 3 4.45548941E-08-7.49993438E-12 3.64703661E+04 7.55936745E+01 4 A2R5*P 6/29/97 THERMC 12H 7 0 0G 300.000 5000.000 1403.000 01 2.56459112E+01 2.51478452E-02-8.73463639E-06 1.37062768E-09-8.01302223E-14 2 5.60725144E+04-1.14480773E+02-9.43019360E+00 1.14813260E-01-9.69799428E-05 3 4.09168318E-08-6.85123767E-12 6.73251527E+04 7.08987101E+01 4 A2R5*S 6/29/97 THERMC 12H 7 0 0G 300.000 5000.000 1403.000 01 2.56459112E+01 2.51478452E-02-8.73463639E-06 1.37062768E-09-8.01302223E-14 2 5.53176075E+04-1.14480773E+02-9.43019360E+00 1.14813260E-01-9.69799428E-05 3 4.09168318E-08-6.85123767E-12 6.65702458E+04 7.08987101E+01 4 A2R5CH3 6/29/97 THERMC 13H 10 0 0G 300.000 5000.000 1402.000 11 2.89325798E+01 3.16831240E-02-1.08957560E-05 1.69858971E-09-9.88576141E-14 2 1.94657541E+04-1.31432965E+02-9.62567803E+00 1.26856889E-01-1.00607892E-04 3 3.99946981E-08-6.32942824E-12 3.21560463E+04 7.35221181E+01 4 A2R5CH2 6/29/97 THERMC 13H 9 0 0G 300.000 5000.000 1405.000 11 2.95805287E+01 2.87235604E-02-9.90612006E-06 1.54741546E-09-9.01902004E-14 2 3.84356037E+04-1.34998717E+02-9.88183330E+00 1.28139359E-01-1.05634284E-04 3 4.32738399E-08-7.01276519E-12 5.11869939E+04 7.39897718E+01 4 FLTHNCH3 6/29/97 THERMC 17H 12 0 0G 300.000 5000.000 1397.000 11 3.88771768E+01 3.89705721E-02-1.35120301E-05 2.11795929E-09-1.23730885E-13 2 1.16619017E+04-1.89871259E+02-1.18234009E+01 1.66263213E-01-1.36665915E-04 3 5.65150372E-08-9.33586194E-12 2.82067393E+04 7.89885137E+01 4 FLTHNCH2 6/29/97 THERMC 17H 11 0 0G 300.000 5000.000 1399.000 11 3.95201956E+01 3.60143468E-02-1.25233208E-05 1.96690348E-09-1.15069226E-13 2 3.06331643E+04-1.93409786E+02-1.20834896E+01 1.67543683E-01-1.41683552E-04 3 5.97874220E-08-1.00175434E-11 4.72388838E+04 7.94788419E+01 4 FLTHNR 7/ 5/97 THERMC 18H 10 0 0G 300.000 5000.000 1403.000 01 3.91559494E+01 3.65568001E-02-1.26697376E-05 1.98565178E-09-1.15998878E-13 2 3.51154131E+04-1.92391960E+02-1.54301787E+01 1.77183195E-01-1.51962570E-04 3 6.47067315E-08-1.08892958E-11 5.24795913E+04 9.56501911E+01 4 FLTHNC2H 7/ 5/97 THERMC 18H 10 0 0G 300.000 5000.000 1397.000 01 4.20493821E+01 3.33356461E-02-1.14108858E-05 1.77537051E-09-1.03245547E-13 2 4.22256014E+04-2.05992562E+02-1.07289616E+01 1.68827774E-01-1.44790428E-04 3 6.13571535E-08-1.02490934E-11 5.90218399E+04 7.26153456E+01 4 BGHIFR 7/ 5/97 THERMC 20H 10 0 0G 300.000 5000.000 1400.000 01 4.30826533E+01 3.86766320E-02-1.34815307E-05 2.12085349E-09-1.24217790E-13 2 4.16972960E+04-2.17148736E+02-1.59457051E+01 1.90371796E-01-1.63582323E-04 3 6.97460480E-08-1.17628979E-11 6.05398144E+04 9.45149458E+01 4 FLTHNR*S 7/ 5/97 C 18H 9 0 0G 300.000 5000.000 1401.000 01 3.83155309E+01 3.50833596E-02-1.22383098E-05 1.92607785E-09-1.12837175E-13 2 6.58231931E+04-1.85528681E+02-1.39667454E+01 1.68862991E-01-1.43961382E-04 3 6.09616964E-08-1.02199289E-11 8.25709102E+04 9.07220892E+01 4 BGHIFR*S 7/ 5/97 C 20H 9 0 0G 300.000 5000.000 1399.000 01 4.22624837E+01 3.71779918E-02-1.30403918E-05 2.05971458E-09-1.20964702E-13 2 7.23945545E+04-2.10398790E+02-1.44354647E+01 1.81837307E-01-1.55250656E-04 3 6.57937053E-08-1.10481017E-11 9.06241705E+04 8.93761309E+01 4 BGHIFC2H 7/ 9/97 THERMC 20H 10 0 0G 300.000 5000.000 1395.000 01 4.59466762E+01 3.54877324E-02-1.22333318E-05 1.91203450E-09-1.11537053E-13 2 4.88249163E+04-2.30573049E+02-1.12782547E+01 1.82165839E-01-1.56625627E-04 3 6.65193058E-08-1.11466302E-11 6.70871593E+04 7.16364643E+01 4 BGHIFC2HP 7/ 9/97 THERMC 20H 9 0 0G 300.000 5000.000 1394.000 01 4.50488837E+01 3.40753971E-02-1.18216569E-05 1.85510855E-09-1.08503149E-13 2 8.03214439E+04-2.24057105E+02-9.99472484E+00 1.74636649E-01-1.49791088E-04 3 6.34752757E-08-1.06252696E-11 9.79608569E+04 6.68540105E+01 4 BGHIFC2HS 7/ 9/97 THERMC 20H 9 0 0G 300.000 5000.000 1394.000 01 4.50488837E+01 3.40753971E-02-1.18216569E-05 1.85510855E-09-1.08503149E-13 2 7.95665370E+04-2.24057105E+02-9.99472484E+00 1.74636649E-01-1.49791088E-04 3 6.34752757E-08-1.06252696E-11 9.72059500E+04 6.68540105E+01 4 C5H5CH2 8/29/92 RITT C 6H 7 0 0G 300.000 5000.000 1358.000 11 1.71961212E+01 1.73782885E-02-6.22608044E-06 9.97073954E-10-5.91127077E-14 2 2.87877761E+04-7.09607885E+01-1.97701628E+00 5.38195324E-02-2.84858245E-05 3 4.84507893E-09 2.64195175E-13 3.62349811E+04 3.49007136E+01 4 C5H4CH3 8/29/92 RITT C 6H 7 0 0G 300.000 5000.000 2050.000 11 1.45015712E+01 2.09523970E-02-7.83370310E-06 1.29461975E-09-7.85391424E-14 2 1.67483759E+04-5.55006820E+01-2.55223237E+00 5.69111276E-02-3.37669764E-05 3 8.59905259E-09-6.79028663E-13 2.27204312E+04 3.69967229E+01 4 C5H5CH3 8/31/92 RITT C 6H 8 0 0G 300.000 5000.000 1361.000 11 1.51356915E+01 2.16030372E-02-7.66479457E-06 1.21951573E-09-7.19724143E-14 2 5.71294717E+03-6.19602728E+01-1.56507878E+00 4.96229789E-02-2.01999367E-05 3 3.96850674E-10 1.05263885E-12 1.26808038E+04 3.17531345E+01 4 DCPP 5/ 3/97 THERMC 20H 10 0 0G 300.000 5000.000 1390.000 01 4.07241250E+01 4.15963719E-02-1.46903764E-05 2.33045993E-09-1.37265818E-13 2 4.75551422E+04-1.98861489E+02-1.39609383E+01 1.74102392E-01-1.38264054E-04 3 5.50727215E-08-8.81327789E-12 6.59657898E+04 9.29742292E+01 4 BEPYREN*P 4/26/97 THERMC 20H 11 0 0G 300.000 5000.000 1367.000 01 4.42864852E+01 4.17445643E-02-1.48863371E-05 2.37663494E-09-1.40600809E-13 2 4.26327709E+04-2.21959150E+02-3.62587203E-01 1.30524557E-01-7.53627823E-05 3 1.75825498E-08-8.69471980E-13 5.96337091E+04 2.32559064E+01 4 BEPYREN*S 4/26/97 THERMC 20H 11 0 0G 300.000 5000.000 1367.000 01 4.42864852E+01 4.17445643E-02-1.48863371E-05 2.37663494E-09-1.40600809E-13 2 4.18778640E+04-2.21959150E+02-3.62587203E-01 1.30524557E-01-7.53627823E-05 3 1.75825498E-08-8.69471980E-13 5.88788022E+04 2.32559064E+01 4 BENZYLB 5/ 7/97 THERMC 13H 12 0 0G 300.000 5000.000 1397.000 21 3.13943394E+01 3.37145350E-02-1.14863908E-05 1.78018669E-09-1.03206535E-13 2 3.59782041E+03-1.45511248E+02-1.11231775E+01 1.41604302E-01-1.16912225E-04 3 4.87422559E-08-8.10889354E-12 1.73288023E+04 7.95009869E+01 4 A3CH3 5/ 3/97 THERMC 15H 12 0 0G 300.000 5000.000 2025.000 11 2.86721901E+01 4.57935671E-02-1.67466881E-05 2.72794395E-09-1.63863026E-13 2 6.77859249E+03-1.31269124E+02 2.45407326E-01 1.03437006E-01-5.52427842E-05 3 1.17708807E-08-4.92994185E-13 1.69368456E+04 2.37077261E+01 4 A3CH2 5/ 3/97 THERMC 15H 11 0 0G 300.000 5000.000 2030.000 11 2.95619587E+01 4.24589619E-02-1.55841596E-05 2.54481062E-09-1.53124916E-13 2 2.56273028E+04-1.36219923E+02 1.33783643E-01 1.04067922E-01-5.92362501E-05 3 1.43179766E-08-9.91637313E-13 3.59458944E+04 2.35063505E+01 4 ! data of marinov, n-butane 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 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 phnthryl-9 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 ch3phnthrn C 15H 12 0 0g 300.000 5000.000 1388.000 1 3.40214352e 01 3.87599618e-02-1.36026936e-05 2.14870933e-09-1.26179927e-13 2 5.25995697e 03-1.64011170e 02-7.62728502e 00 1.37382953e-01-1.03954898e-04 3 4.03464800e-08-6.40784579e-12 1.96316047e 04 5.92693630e 01 4 CH3phnthrn C 15H 12 0 0g 300.000 5000.000 1388.000 1 3.40214352e 01 3.87599618e-02-1.36026936e-05 2.14870933e-09-1.26179927e-13 2 5.25995697e 03-1.64011170e 02-7.62728502e 00 1.37382953e-01-1.03954898e-04 3 4.03464800e-08-6.40784579e-12 1.96316047e 04 5.92693630e 01 4 !fluoryl C 13H 9 0 0g 300.000 5000.000 1396.000 1 ! 2.85044839e 01 3.04765582e-02-1.05975617e-05 1.66399066e-09-9.73157169e-14 2 ! 2.19439847e 04-1.32834253e 02-4.44062707e 00 1.06657923e-01-7.68519310e-05 3 ! 2.73950224e-08-3.85962185e-12 3.33449059e 04 4.41810033e 01 4 !fluorene C 13H 10 0 0g 300.000 5000.000 1395.000 1 ! 2.96985895e 01 3.21427935e-02-1.12035135e-05 1.76197485e-09-1.03163382e-13 2 ! 7.02356550e 03-1.41650027e 02-5.72213745e 00 1.12723846e-01-7.94406052e-05 3 ! 2.72147099e-08-3.61392682e-12 1.93888925e 04 4.90956289e 01 4 hc4-p(def)pthn C 15H 10 0 0g 300.00 5000.00 1415.00 1 1.39619369e 01 4.98784489e-02-2.31971846e-05 4.76663064e-09-3.36186569e-13 2 2.13577478e 04-4.41337511e 01-1.36773823e 01 1.26167854e-01-1.04742488e-04 3 4.43582654e-08-7.62174914e-12 2.96889303e 04 9.99849629e 01 4 hc4-p(def)pthyl C 15H 9 0 0g 300.000 5000.00 1418.00 1 1.32375618e 01 4.76137169e-02-2.23612429e-05 4.63681279e-09-3.29035851e-13 2 3.59851284e 04-3.80686357e 01-1.15750589e 01 1.16068854e-01-9.55729305e-05 3 4.02161473e-08-6.88164962e-12 4.34790836e 04 9.13398784e 01 4 phnthrol-9 C 14H 10O 1 0g 300.000 5000.00 1387.00 1 3.40642260e 01 3.37240559e-02-1.18872916e-05 1.88323853e-09-1.10815935e-13 2 -1.01983496e 04-1.62863881e 02-7.64150574e 00 1.39203106e-01-1.17055885e-04 3 5.07207464e-08-8.91567081e-12 3.58192152e 03 5.84427128e 01 4 phnthrol-1 C 14H 10O 1 0g 300.000 5000.00 1387.00 1 3.40642260e 01 3.37240559e-02-1.18872916e-05 1.88323853e-09-1.10815935e-13 2 -1.01983496e 04-1.62863881e 02-7.64150574e 00 1.39203106e-01-1.17055885e-04 3 5.07207464e-08-8.91567081e-12 3.58192152e 03 5.84427128e 01 4 phnthroxy-1 C 14H 9O 1 0g 300.000 5000.00 1390.00 1 3.63410920e 01 2.85044297e-02-9.84996550e-06 1.54212012e-09-9.00664052e-14 2 3.33744473e 03-1.74734851e 02-6.88583078e 00 1.35568631e-01-1.11107486e-04 3 4.49354272e-08-7.18645703e-12 1.75074233e 04 5.48782902e 01 4 phnthroxy-9 C 14H 9O 1 0g 300.000 5000.00 1390.00 1 3.63410920e 01 2.85044297e-02-9.84996550e-06 1.54212012e-09-9.00664052e-14 2 3.33744473e 03-1.74734851e 02-6.88583078e 00 1.35568631e-01-1.11107486e-04 3 4.49354272e-08-7.18645703e-12 1.75074233e 04 5.48782902e 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 chrysen C 18H 12 0 0g 300.000 5000.00 1387.00 1 4.04569002e 01 4.18109769e-02-1.47595774e-05 2.34058824e-09-1.37822822e-13 2 1.62338981e 04-2.02290620e 02-1.07783227e 01 1.67404365e-01-1.34917078e-04 3 5.56343589e-08-9.32756932e-12 3.34874835e 04 7.08724949e 01 4 ch3cy24pd1 C 6H 7 0 0g 300.000 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 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 C12H9 C 12H 9 G 300.000 5000.00 1375.000 1 0.24023865E+02 0.31809665E-01-0.11027002E-04 0.16776169E-08-0.92268857E-13 2 0.40086453E+05-0.10351401E+03-0.39727516E+01 0.85021615E-01-0.57617590E-05 3 -0.62286745E-07 0.33391831E-10 0.49016336E+05 0.46985733E+02 4 ! ! data, 05/25/02 ! C4H 121686C 4H 1 G 0300.00 5000.00 1000.00 1 0.06242882E+02 0.06193682E-01-0.02085931E-04 0.03082203E-08-0.16364826E-13 2 0.07568019E+06-0.07210806E+02 0.05023247E+02 0.07092375E-01-0.06073762E-07 3 -0.02275752E-07 0.08086994E-11 0.07623812E+06-0.06942594E+00 4 C4H2 121686C 4H 2 G 0300.00 5000.00 1000.00 1 0.09031407E+02 0.06047252E-01-0.01948788E-04 0.02754863E-08-0.13856080E-13 2 0.05294735E+06-0.02385067E+03 0.04005191E+02 0.01981000E+00-0.09865877E-04 3 -0.06635158E-07 0.06077413E-10 0.05424065E+06 0.01845736E+02 4 HCCHCCH 82489C 4H 3 G 0300.00 4000.00 1000.00 1 0.10752738E+02 0.05381153E-01-0.05549637E-05-0.03052266E-08 0.05761740E-12 2 0.06121419E+06-0.02973025E+03 0.04153881E+02 0.01726287E+00-0.02389374E-05 3 -0.10187000E-07 0.04340504E-10 0.06338070E+06 0.06036506E+02 4 H2CCCCH 82489C 4H 3 G 0300.00 4000.00 1000.00 1 0.11314095E+02 0.05014414E-01-0.05350444E-05-0.02825309E-08 0.05403279E-12 2 0.05181211E+06-0.03062434E+03 0.06545799E+02 0.12424768E-01 0.05603226E-05 3 -0.05631141E-07 0.16652183E-11 0.05352502E+06-0.04264082E+02 4 C4H4 82489C 4H 4 G 0300.00 4000.00 1000.00 1 0.10697773E+02 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 0.12703205E-05 3 -0.09410096E-07 0.02956110E-10 0.03301097E+06 0.09922676E+02 4 CH2CHCHCH 82489C 4H 5 G 0300.00 4000.00 1000.00 1 0.12865971E+02 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 -0.11482454E-07 0.03197823E-10 0.04142218E+06 0.12894539E+02 4 CH2CHCCH2 82489C 4H 5 G 0300.00 4000.00 1000.00 1 0.11997762E+02 0.07990580E-01-0.08098172E-05-0.04568733E-08 0.08636911E-12 2 0.03228493E+06-0.03528494E+03 0.03879443E+02 0.01997663E+00 0.01872777E-04 3 -0.09306953E-07 0.02386116E-10 0.03526859E+06 0.09842152E+02 4 HCCCO 4/23/ 1 THERMC 3H 1O 1 0G 300.000 5000.000 1469.000 11 6.48297743E+00 5.69269231E-03-1.48396637E-06 8.64721240E-11 6.17771403E-15 2 2.97731333E+04-4.71868850E+00 2.59227873E+00 2.16708737E-02-2.09325002E-05 3 9.79948036E-09-1.79829399E-12 2.99602750E+04 1.30034458E+01 4 C4H6-1 4/30/ 1 THERMC 4H 6 0 0G 300.000 5000.000 1380.000 11 1.02832062E+01 1.48428172E-02-5.17071670E-06 8.12555832E-10-4.75380118E-14 2 1.48555270E+04-3.08099823E+01 1.45075296E+00 3.36258286E-02-2.11837593E-05 3 7.54395592E-09-1.22855613E-12 1.82658557E+04 1.75482371E+01 4 C4H612 Burcat A 8/83C 4H 6 0 0G 300. 3000. 1000. 1 0.1781557E 02 -0.4257502E-02 0.1051185E-04 -0.4473844E-08 0.5848138E-12 2 0.1267342E 05 -0.6982662E 02 0.1023467E 01 0.3495919E-01 -0.2200905E-04 3 0.6942272E-08 -0.7879187E-12 0.1811799E 05 0.1975066E 02 4 C4H613 Burcat A 8/83C 4H 6 0 0G 300. 3000. 1000. 1 0.7130943E 01 0.2064008E-01 -0.9323906E-05 0.2147307E-08 -0.2061361E-12 2 0.9612654E 04 -0.1417222E 02 -0.2530900E 01 0.5387969E-01 -0.5173933E-04 3 0.2510720E-07 -0.4324726E-11 0.1187691E 05 0.3391388E 02 4 HCCCHO 4/23/ 1 THERMC 3H 2O 1 0G 300.000 5000.000 1386.000 11 1.05084632E+01 4.51271125E-03-1.62264234E-06 2.60597498E-10-1.54837072E-14 2 7.93011811E+03-3.10223226E+01 1.65008184E+00 2.57765383E-02-2.08221374E-05 3 7.99682000E-09-1.18853190E-12 1.08863713E+04 1.62464946E+01 4 I-C4H7 Burcat20008/83C 4H 7 0 0G 300. 3000. 1000. 1 0.5521420E 01 0.2683684E-01 -0.1286430E-04 0.3088640E-08 -0.3030856E-12 2 0.1198044E 05 -0.4482447E 01 -0.1080514E 01 0.4638686E-01 -0.3464697E-04 3 0.1401374E-07 -0.2395040E-11 0.1375538E 05 0.2934466E 02 4 CH2CHCO Burcat T05/99C 3H 3O 1 0G 200.000 6000.000 1000. 1 6.95842227E+00 1.07193211E-02-3.85218494E-06 6.22009064E-10-3.72401640E-14 2 5.64826498E+03-1.14745786E+01 3.21169467E+00 1.18422105E-02 1.67462582E-05 3 -3.06947176E-08 1.33048816E-11 7.12815750E+03 1.00881663E+01 4 CHCHCHO Therm/Burcat C 3H 3O 1 0G 300.000 5000.000 1391.000 11 1.01459045E+01 7.25247966E-03-2.54029235E-06 4.00844474E-10-2.35246074E-14 2 1.56775457E+04-2.93423876E+01 1.37270785E+00 2.74589620E-02-1.99574502E-05 3 7.06377610E-09-9.76230205E-13 1.87142644E+04 1.78130056E+01 4 C4H8 120386C 4H 8 G 0300.00 5000.00 1000.00 1 0.02053584E+02 0.03435050E+00-0.15883196E-04 0.03308966E-07-0.02536104E-11 2 -0.02139723E+05 0.15543201E+02 0.11811380E+01 0.03085338E+00 0.05086524E-04 3 -0.02465488E-06 0.11110192E-10-0.01790400E+05 0.02106247E+03 4 CH2CHCHO Burcat T05/99C 3H 4O 1 0G 200.000 6000.000 1000. 1 7.65585747E+00 1.29138634E-02-4.67510310E-06 7.58623343E-10-4.55761782E-14 2 -1.25007135E+04-1.64463335E+01 3.51513293E+00 8.76497333E-03 3.56361100E-05 3 -5.33123832E-08 2.20038319E-11-1.06147449E+04 8.66137871E+00 4 C2H5CO Burcat T 9/92C 3H 5O 1 0G 298.150 5000.000 1000. 1 0.30445698E+01 0.23236429E-01-0.86317936E-05 0.14799550E-08-0.96860829E-13 2 -0.61787211E+04 0.13122302E+02 0.67368294E+01-0.26945299E-02 0.49927017E-04 3 -0.50025808E-07 0.15011503E-10-0.65703366E+04-0.23398732E+01 4 C2H5CHO Burcat T 9/92C 3H 6O 1 0G 273.150 5000.000 1000. 1 0.33137982E+01 0.26619606E-01-0.10475596E-04 0.18815334E-08-0.12761310E-12 2 -0.25459603E+05 0.96608447E+01 0.76044596E+01-0.86403564E-02 0.73930097E-04 3 -0.79687398E-07 0.28004927E-10-0.25489789E+05-0.67643691E+01 4 CH3COCH3 Burcat T 5/92C 3H 6O 1 0G 200.000 6000.000 1000. 1 0.72975991E+01 0.17566207E-01-0.63170456E-05 0.10203086E-08-0.61094016E-13 2 -0.29817680E+05-0.12756981E+02 0.55557943E+01-0.28365428E-02 0.70568945E-04 3 -0.87810488E-07 0.34028266E-10-0.28113337E+05 0.23226600E+01 4 C5H2(L) 20587C 5H 2 G 0300.00 5000.00 1000.00 1 0.11329175E+02 0.07424056E-01-0.02628188E-04 0.04082541E-08-0.02301332E-12 2 0.07878706E+06-0.03617117E+03 0.03062321E+02 0.02709998E+00-0.10091697E-04 3 -0.12727451E-07 0.09167219E-10 0.08114969E+06 0.07071078E+02 4 C5H3 CYCLIC Burc00C 5H 3 0 0G 200.000 6000.000 1000. 1 0.10397501E+02 0.10548283E-01-0.38462526E-05 0.62738447E-09-0.37836482E-13 2 0.79435481E+05-0.30539213E+02-0.30279743E+00 0.31376032E-01 0.30789383E-05 3 -0.35937535E-07 0.19474441E-10 0.82652282E+05 0.26395722E+02 4 C5H3(L) HCCCCCH2Burc00C 5H 3 0 0G 200.000 6000.000 1000. 1 0.10296658E+02 0.10470124E-01-0.37746103E-05 0.61077326E-09-0.36621089E-13 2 0.68439389E+05-0.27338507E+02 0.15946538E+01 0.43378369E-01-0.56253789E-04 3 0.41304029E-07-0.12456939E-10 0.70491079E+05 0.15644812E+02 4 C5H4 CYCLICBurcat00C 5H 4 0 0G 200.000 6000.000 1000. 1 0.10106809E+02 0.13457466E-01-0.48862383E-05 0.79465424E-09-0.47821691E-13 2 0.61714735E+05-0.30155332E+02 0.98338482E+00 0.21429446E-01 0.33390071E-04 3 -0.66941379E-07 0.30563346E-10 0.64905174E+05 0.20682801E+02 4 C5H4(L) CH2CCHCCHBur00H 4C 5 0 0G 200.000 6000.000 1000. 1 0.10270189E+02 0.13073162E-01-0.46889368E-05 0.75613521E-09-0.45229670E-13 2 0.49102428E+05-0.27545396E+02 0.87018870E+00 0.41493544E-01-0.35400870E-04 3 0.13012008E-07-0.60955029E-12 0.51578444E+05 0.20378880E+02 4 C5H5 HR 6/01BLYP00C 5H 5 0 0G 300.000 5000.000 1403.000 01 1.26805871E+01 1.27575785E-02-4.34788920E-06 6.73442111E-10-3.90092992E-14 2 2.55507801E+04-4.67103980E+01-3.35979212E+00 5.80041481E-02-5.41839461E-05 3 2.56964859E-08-4.80036435E-12 3.03384665E+04 3.66689604E+01 4 C5H4H HR 10/00 BLYPC 5H 5 0 0G 300.000 5000.000 1403.000 01 1.23503328E+01 1.31278894E-02-4.49680943E-06 6.98998158E-10-4.05941466E-14 2 4.29602305E+04-4.38813502E+01-3.71635176E+00 5.57854643E-02-4.85524520E-05 3 2.15232840E-08-3.80152957E-12 4.79911937E+04 4.05280169E+01 4 C5H5(L) BURCATC 5H 5 0 0G 300.000 5000.000 1402.000 01 1.38816308E+01 1.14454546E-02-3.83729159E-06 5.88208430E-10-3.38379570E-14 2 4.27127349E+04-4.87035050E+01-8.60045246E-01 5.18320271E-02-4.67951024E-05 3 2.14122502E-08-3.87182913E-12 4.71932361E+04 2.82849534E+01 4 C5H6 HR11/99BLYP00C 5H 6 0 0G 300.000 5000.000 1402.000 01 1.26575005E+01 1.53301203E-02-5.23821364E-06 8.12867095E-10-4.71504821E-14 2 1.03083446E+04-4.75386061E+01-4.78259036E+00 6.09873033E-02-5.17363931E-05 3 2.25173536E-08-3.92621113E-12 1.58382836E+04 4.43226201E+01 4 H2C4O 120189H 2C 4O 1 G 0300.00 4000.00 1000.00 1 0.10268878E+02 0.04896164E-01-0.04885080E-05-0.02708566E-08 0.05107013E-12 2 0.02346902E+06-0.02815985E+03 0.04810971E+02 0.13139988E-01 0.09865073E-05 3 -0.06120720E-07 0.16400028E-11 0.02545803E+06 0.02113424E+02 4 C6H 121686C 6H 1 G 0300.00 5000.00 1000.00 1 0.11587352E+02 0.07295362E-01-0.02466008E-04 0.03407045E-08-0.14981855E-13 2 0.10314481E+06-0.03172578E+03 0.04769848E+02 0.02457279E+00-0.07561252E-04 3 -0.14806908E-07 0.09768053E-10 0.10485231E+06 0.03241530E+02 4 C6H2 121686C 6H 2 G 0300.00 5000.00 1000.00 1 0.12756519E+02 0.08034381E-01-0.02618215E-04 0.03725060E-08-0.01878850E-12 2 0.08075469E+06-0.04041262E+03 0.05751085E+02 0.02636719E+00-0.11667596E-04 3 -0.10714498E-07 0.08790297E-10 0.08262012E+06-0.04335532E+02 4 C6H3 20387C 6H 3 G 0300.00 5000.00 1000.00 1 0.12761181E+02 0.10385573E-01-0.03479192E-04 0.05109733E-08-0.02690965E-12 2 0.07477706E+06-0.03891745E+03 0.05007089E+02 0.02692851E+00-0.05919865E-04 3 -0.15272335E-07 0.09408310E-10 0.07713200E+06 0.02225621E+02 4 BENZYNE HR12/99BLYP00C 6H 4 0 0G 300.000 5000.000 1401.000 01 1.34036542E+01 1.23745723E-02-4.26851601E-06 6.66674870E-10-3.88468525E-14 2 4.56885313E+04-4.95350722E+01-3.20941575E+00 5.67750752E-02-5.04605877E-05 3 2.26617296E-08-4.03875379E-12 5.08631262E+04 3.76446801E+01 4 C6H4 BURCATC 6H 4 0 0G 298.150 5000.000 1000. 1 0.17183117E+02 0.66487658E-02-0.12416263E-05 0.14697448E-09-0.91398013E-14 2 0.55076954E+05-0.64435183E+02 0.19323139E+01 0.39032183E-01-0.69227109E-05 3 -0.27093357E-07 0.15730252E-10 0.59691948E+05 0.16516023E+02 4 C6H5 HR 4/99 BLYP00C 6H 5 0 0G 300.000 5000.000 1401.000 01 1.39113231E+01 1.44510477E-02-4.97643143E-06 7.76350200E-10-4.52009699E-14 2 3.39370888E+04-5.35639096E+01-4.79363838E+00 6.41256261E-02-5.63088346E-05 3 2.50628417E-08-4.43680766E-12 3.97940632E+04 4.47040879E+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 0.04854268E+02 0.03031659E+00 0.01742892E-05 3 -0.01811010E-06 0.07392511E-10 0.06798733E+06 0.05854934E+02 4 C6H6 HR 4/99 BLYP00C 6H 6 0 0G 300.000 5000.000 1401.000 01 1.40688549E+01 1.67852073E-02-5.76427435E-06 8.97553849E-10-5.21875231E-14 2 2.80078459E+03-5.72574483E+01-5.78791130E+00 6.85443134E-02-5.82499173E-05 3 2.53053989E-08-4.40186254E-12 9.12062641E+03 4.74150511E+01 4 C6H6F 20387C 6H 6 G 0300.00 5000.00 1000.00 1 7.79297070E-01 5.43721260E-02-4.78738140E-05 1.61871640E-08 3.37357440E-13 2 2.39933950E+04 1.73294580E+01 1.34117680E+01 1.47202210E-02-5.08177050E-06 3 7.98863540E-10-4.69508440E-14 2.08467830E+04-4.64510320E+01 4 C6H7 HR 6/99 BLYP C 6H 7 0 0G 300.000 5000.000 1399.000 01 1.52858526E+01 1.83171306E-02-6.29572508E-06 9.80755486E-10-5.70399234E-14 2 1.71448945E+04-6.07839102E+01-5.41516221E+00 7.28843091E-02-6.26113691E-05 3 2.77357479E-08-4.93245096E-12 2.37092544E+04 4.81846774E+01 4 C6H813 121494THERMC 6H 8 G 300.000 5000.000 1396.000 01 1.53625259E+01 2.08675112E-02-7.19203048E-06 1.12251633E-09-6.53733380E-14 2 4.62118283E+03-6.26703913E+01-5.81337476E+00 7.22248431E-02-5.52161741E-05 3 2.16975324E-08-3.46304555E-12 1.17578006E+04 5.03398935E+01 4 C6H814 121494THERMC 6H 8 G 300.000 5000.000 1394.000 01 1.50866863E+01 2.11483961E-02-7.29888357E-06 1.14020521E-09-6.64432988E-14 2 5.02632710E+03-6.19776093E+01-5.34206341E+00 6.96903834E-02-5.16349220E-05 3 1.96729152E-08-3.05521699E-12 1.20241900E+04 4.74226109E+01 4 C5H5CH3 Burcat10/94C 6H 8 0 0G 298.150 5000.000 1000. 1 0.16399698E+02 0.18988824E-01-0.60996114E-05 0.95861755E-09-0.59364731E-13 2 0.48834021E+04-0.65341031E+02-0.35829269E+01 0.78077845E-01-0.73143499E-04 3 0.33645368E-07-0.48086229E-11 0.10447644E+05 0.37418709E+02 4 C5H4O 10/00BURCBLYP C 5H 4O 1 0G 300.000 5000.000 1402.000 01 1.37907739E+01 1.19738147E-02-4.11436106E-06 6.40954643E-10-3.72821366E-14 2 2.74553951E+02-5.06296371E+01-3.01174376E+00 5.82012965E-02-5.36527132E-05 3 2.48757306E-08-4.54630764E-12 5.38127213E+03 3.70844611E+01 4 C5H5O ZHONG/BOZ1998 C 5H 5O 1 0G 300.000 5000.000 1395.000 01 1.49072105E+01 1.36369619E-02-4.70762207E-06 7.36028654E-10-4.29314124E-14 2 1.43724130E+04-5.69296345E+01-4.14628450E+00 6.23584874E-02-5.28374678E-05 3 2.24628793E-08-3.80136191E-12 2.04992627E+04 4.37921058E+01 4 C5H4OH ALZUETA 2000 C 5H 5O 1 0G 300.000 5000.000 1417.000 01 1.54616992E+01 1.21543874E-02-3.97713729E-06 5.99530783E-10-3.40841280E-14 2 1.18008962E+03-5.80092304E+01-3.36507049E+00 6.65211552E-02-6.40907012E-05 3 3.04663074E-08-5.61147666E-12 6.55733089E+03 3.92124189E+01 4 C6H5CH T CBSRAD7/01 C 7H 6 0 0G 300.000 5000.000 1404.000 11 1.75286289E+01 1.59878206E-02-5.49454979E-06 8.56118588E-10-4.98053729E-14 2 4.73041322E+04-7.15174971E+01-5.94812574E+00 8.03020198E-02-7.38766020E-05 3 3.39798674E-08-6.14844599E-12 5.44384047E+04 5.10879361E+01 4 C7H7 Burcat08/90C 7H 7 0 0G 200.000 6000.000 1000. 1 0.14043980E+02 0.23493873E-01-0.85375367E-05 0.13890841E-08-0.83614420E-13 2 0.18564203E+05-0.51665589E+02 0.48111540E+00 0.38512832E-01 0.32861492E-04 3 -0.76972721E-07 0.35423068E-10 0.23307027E+05 0.23548820E+02 4 C7H8 BurcatL 6/87C 7H 8 0 0G 200.000 6000.000 1000. 1 0.12940034E+02 0.26691287E-01-0.96838505E-05 0.15738629E-08-0.94663601E-13 2 -0.69764908E+03-0.46728785E+02 0.16152663E+01 0.21099438E-01 0.85366018E-04 3 -0.13261066E-06 0.55956604E-10 0.40756300E+04 0.20282210E+02 4 C6H5O HR 6/99 BLYP C 6H 5O 1 0G 300.000 5000.000 1402.000 01 1.63197375E+01 1.49421635E-02-5.14462138E-06 8.02578740E-10-4.67303957E-14 2 -1.19712631E+03-6.52157169E+01-4.17772040E+00 6.95185958E-02-6.15479047E-05 3 2.74342242E-08-4.84615473E-12 5.19007431E+03 4.23910339E+01 4 C6H4OH MOPAC C 6H 5O 1 G 300.00 5000.00 1404.000 1 1.45068436E+01 1.59404980E-02-5.37246333E-06 8.26250158E-10-4.76347968E-14 2 9.52783213E+03-5.58395061E+01-3.09604127E+00 6.10439698E-02-4.99110690E-05 3 2.08646723E-08-3.49237193E-12 1.51688735E+04 3.71626206E+01 4 C6H5OH HR 6/99 BLYP C 6H 6O 1 0G 300.000 5000.000 1391.000 11 1.68693795E+01 1.70838426E-02-5.98946836E-06 9.45398420E-10-5.54859198E-14 2 -1.97294434E+04-6.87883562E+01-4.92900267E+00 7.76036830E-02-7.29208148E-05 3 3.51831137E-08-6.74079973E-12-1.29920911E+04 4.50935388E+01 4 C6H6OH MOPACRSC 6H 7O 1 0G 300.000 5000.000 1400.000 1 6.15925825E+00 4.18663376E-02-2.33225432E-05 6.37246733E-09-6.90755957E-13 2 1.03419779E+03-7.21077924E+00-4.94895390E+00 7.56352277E-02-5.58570274E-05 3 1.37758982E-08 1.77955931E-12 3.75787222E+03 4.89349949E+01 4 A1C2H*2 HR 6/99 BLYP00C 8H 5 0 0G 300.000 5000.000 1403.000 01 1.88370382E+01 1.52445522E-02-5.22469596E-06 8.12518874E-10-4.72045178E-14 2 5.96821996E+04-7.49107592E+01-1.49929738E+00 7.01891496E-02-6.29429910E-05 3 2.85073827E-08-5.11137313E-12 6.59494823E+04 3.15838359E+01 4 C8H6 HR 4/99 BLYP00C 8H 6 0 0G 300.000 5000.000 1401.000 01 1.89972444E+01 1.76337662E-02-6.04295225E-06 9.39560447E-10-5.45720346E-14 2 2.81425030E+04-7.71204609E+01-2.21735533E+00 7.46267333E-02-6.58462781E-05 3 2.97130191E-08-5.34301496E-12 3.47444172E+04 3.41409285E+01 4 C6H5CHCH HR 4/99 BLYP C 8H 7 0 0G 300.000 5000.000 1389.000 11 1.98379960E+01 1.97278283E-02-6.91751721E-06 1.09198104E-09-6.40922808E-14 2 3.91003225E+04-8.25068718E+01-4.32680301E+00 8.65370210E-02-8.07602858E-05 3 3.89465367E-08-7.48186804E-12 4.66230204E+04 4.38812546E+01 4 C8H7*2 HR12/99 BLYP C 8H 7 0 0G 300.000 5000.000 1389.000 11 1.95814967E+01 1.99958954E-02-7.02182509E-06 1.10955400E-09-6.51695896E-14 2 3.84359614E+04-8.15383160E+01-5.39847395E+00 8.83990404E-02-8.17992975E-05 3 3.90545143E-08-7.43931208E-12 4.62590112E+04 4.93149807E+01 4 C8H8 HR 8/99 BLYP C 8H 8 0 0G 300.000 5000.000 1390.000 11 1.96983197E+01 2.24067550E-02-7.84454419E-06 1.23700681E-09-7.25503448E-14 2 7.87376852E+03-8.27771210E+01-6.72066633E+00 9.49734600E-02-8.75848310E-05 3 4.19349386E-08-8.02360263E-12 1.61470711E+04 5.55713186E+01 4 C6H5CO therm/Marinov 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 C8H10 EBG92 C 8H 10 G 300.00 5000.00 1390.000 1 2.14713086E+01 2.49558342E-02-8.42478694E-06 1.29835947E-09-7.49993230E-14 2 -7.46898472E+03-9.36428065E+01-6.24730659E+00 8.99995431E-02-6.56895331E-05 3 2.37336850E-08-3.37085410E-12 1.97071484E+03 5.48599202E+01 4 C6H5CHO Burcat 3/86C 7H 6O 1 0G 298.150 5000.000 1000. 1 0.13650737E+02 0.25680419E-01-0.10466729E-04 0.19413430E-08-0.13483792E-12 2 -0.11019744E+05-0.47965796E+02-0.31627334E+01 0.66369245E-01-0.34816353E-04 3 -0.62999377E-08 0.85807101E-11-0.61169349E+04 0.40231735E+02 4 C6H3O2 HR BLYP-THERM C 6H 3O 2 0G 300.000 5000.000 1399.000 01 1.71475488E+01 1.18212204E-02-4.09721280E-06 6.42149444E-10-3.75138801E-14 2 6.28542860E+03-6.56818284E+01-6.76596912E-02 5.64055762E-02-4.87046507E-05 3 2.10109517E-08-3.59431524E-12 1.17586571E+04 2.51115372E+01 4 C6H5CH2OH Burcat 7/87C 7H 8O 1 0G 200.000 6000.000 1000. 1 0.15281154E+02 0.27208501E-01-0.98584660E-05 0.16012183E-08-0.96278057E-13 2 -0.19700471E+05-0.59418673E+02 0.20642021E+01 0.22775140E-01 0.95972053E-04 3 -0.15085110E-06 0.64175832E-10-0.14285021E+05 0.18148312E+02 4 C7H8O EBG92 C 7H 8O 1 G 300.00 5000.00 1386.000 1 1.91919825E+01 2.19714408E-02-7.42997382E-06 1.14635969E-09-6.62717108E-14 2 -2.18095070E+04-7.82183334E+01-4.10842859E+00 7.49994656E-02-5.21053820E-05 3 1.75996769E-08-2.28346014E-12-1.37101009E+04 4.71979266E+01 4 C6H5OCH3 6/16/ 1 THERMC 7H 8O 1 0G 300.000 5000.000 1393.000 21 2.03938728E+01 2.09088165E-02-7.22522263E-06 1.12997840E-09-6.59097524E-14 2 -1.86061425E+04-8.62920505E+01-5.40888697E+00 8.73332441E-02-7.39639658E-05 3 3.20208039E-08-5.56946955E-12-1.02821510E+04 5.00696056E+01 4 OC6H4O2 HR 10/00BLYP C 6H 4O 2 0G 300.000 5000.000 1400.000 01 1.77485076E+01 1.38956103E-02-4.82034051E-06 7.55769896E-10-4.41585090E-14 2 -1.93533750E+04-6.94109459E+01-1.94627533E+00 6.57108019E-02-5.77297157E-05 3 2.54695083E-08-4.45859154E-12-1.31518231E+04 3.42072507E+01 4 PC6H4O2 HR 10/00BLYP C 6H 4O 2 0G 300.000 5000.000 1401.000 01 1.76914748E+01 1.39100396E-02-4.81796721E-06 7.54647527E-10-4.40631576E-14 2 -2.29852612E+04-7.08099668E+01-1.92864388E+00 6.52921555E-02-5.69433365E-05 3 2.49150818E-08-4.32502466E-12-1.67931041E+04 3.24832281E+01 4 INDENE* HR11/99BLYP00C 9H 7 0 0G 300.000 5000.000 1402.000 01 2.14676614E+01 2.07516997E-02-7.14782110E-06 1.11530102E-09-6.49445901E-14 2 2.23640358E+04-9.48945352E+01-7.71981172E+00 1.00508953E-01-9.20043060E-05 3 4.23480077E-08-7.69151644E-12 3.12834050E+04 5.76557395E+01 4 C6H5C3H2 1/17/ 0 THERMC 9H 7 0 0G 300.000 5000.000 1383.000 11 2.05632118E+01 2.18474960E-02-7.69371038E-06 1.21810939E-09-7.16463859E-14 2 4.65470757E+04-8.26412428E+01-2.26779736E+00 7.34853337E-02-5.21100716E-05 3 1.85954603E-08-2.69498985E-12 5.46642559E+04 4.06118884E+01 4 INDENE HR11/99BLYP00C 9H 8 0 0G 300.000 5000.000 1400.000 01 2.16006864E+01 2.31972637E-02-7.99472821E-06 1.24792069E-09-7.26862386E-14 2 8.91950484E+03-9.60744174E+01-8.05084837E+00 1.01128038E-01-8.76562128E-05 3 3.85583182E-08-6.76128611E-12 1.82848729E+04 5.99903723E+01 4 C6H3O3 HR AM1 7/99 C 6H 3O 3 0G 300.000 5000.000 1393.000 01 1.78869273E+01 1.39719289E-02-4.88924644E-06 7.70934643E-10-4.52190875E-14 2 -2.90398143E+04-6.61626585E+01 1.31851616E-01 5.83266399E-02-4.78728515E-05 3 1.99208107E-08-3.33484402E-12-2.31877047E+04 2.81300982E+01 4 A2T1 HR12/99 BLYP C 10H 6 0 0G 300.000 5000.000 1401.000 01 2.26743828E+01 1.98529546E-02-6.86764509E-06 1.07482892E-09-6.27247999E-14 2 4.86149947E+04-9.97586064E+01-5.91383758E+00 9.53032669E-02-8.40320825E-05 3 3.71175012E-08-6.49277297E-12 5.75780222E+04 5.05400652E+01 4 A2T2 HR12/99BLYP00C 10H 6 0 0G 300.000 5000.000 1401.000 01 2.27563525E+01 1.97983673E-02-6.85196907E-06 1.07269721E-09-6.26130244E-14 2 4.98909571E+04-1.00848492E+02-5.71085200E+00 9.46608203E-02-8.30702095E-05 3 3.64968043E-08-6.35095707E-12 5.88368563E+04 4.88989311E+01 4 C10H7*1 TB 1/99 BLYP00C 10H 7 0 0G 300.000 5000.000 1401.000 01 2.32134837E+01 2.19245132E-02-7.57801031E-06 1.18526564E-09-6.91369406E-14 2 3.75456274E+04-1.03911378E+02-7.74269427E+00 1.04220941E-01-9.25076899E-05 3 4.12403544E-08-7.28199643E-12 4.72057155E+04 5.86484815E+01 4 C10H7*2 TB 1/99 BLYP00C 10H 7 0 0G 300.000 5000.000 1401.000 01 2.32356550E+01 2.19168575E-02-7.57777612E-06 1.18547456E-09-6.91588767E-14 2 3.76662306E+04-1.04074200E+02-7.71898395E+00 1.04275854E-01-9.26741654E-05 3 4.13767346E-08-7.31737931E-12 4.73225871E+04 5.84596982E+01 4 C10H8 HR11/99BLYP00C 10H 8 0 0G 300.000 5000.000 1401.000 01 2.34025312E+01 2.42434427E-02-8.36282016E-06 1.30620111E-09-7.61153748E-14 2 6.51911936E+03-1.07434728E+02-8.83645988E+00 1.09300567E-01-9.55200914E-05 3 4.21647669E-08-7.39851710E-12 1.66533366E+04 6.21064766E+01 4 A2CH2-1 HR 6/99 BLYP C 11H 9 0 0G 300.000 5000.000 1393.000 11 2.67591143E+01 2.66944366E-02-9.34672512E-06 1.47411301E-09-8.64694573E-14 2 1.79163708E+04-1.23291372E+02-9.42561321E+00 1.26956297E-01-1.19253218E-04 3 5.69889164E-08-1.07817848E-11 2.90341851E+04 6.56750520E+01 4 A2CH2-2 HR 6/99 BLYP C 11H 9 0 0G 300.000 5000.000 1393.000 11 2.67837993E+01 2.67091735E-02-9.35972813E-06 1.47696837E-09-8.66691339E-14 2 1.80361580E+04-1.23392042E+02-9.37163916E+00 1.27337620E-01-1.20319319E-04 3 5.78670534E-08-1.10107665E-11 2.91224235E+04 6.53001580E+01 4 A2CH3-1 HR 6/99 BLYP C 11H 10 0 0G 300.000 5000.000 1394.000 11 2.69620791E+01 2.88172394E-02-1.00254209E-05 1.57466721E-09-9.21126923E-14 2 5.87059336E+02-1.25204688E+02-7.98962224E+00 1.17448428E-01-9.76360478E-05 3 4.14932114E-08-7.10609396E-12 1.20022223E+04 5.99922187E+01 4 A2CH3-2 HR 6/99 BLYP C 11H 10 0 0G 300.000 5000.000 1394.000 11 2.69193347E+01 2.88860474E-02-1.00554939E-05 1.57995341E-09-9.24422986E-14 2 5.52025831E+02-1.23762368E+02-7.79722831E+00 1.17384742E-01-9.81964263E-05 3 4.20963921E-08-7.27587265E-12 1.18609409E+04 6.00521996E+01 4 C10H7O-1 HR 6/99 BLYP C 10H 7O 1 0G 300.000 5000.000 1401.000 01 2.55199785E+01 2.25375617E-02-7.79622686E-06 1.22014387E-09-7.12043903E-14 2 -9.13287721E+02-1.15169184E+02-7.45889821E+00 1.10408595E-01-9.86444941E-05 3 4.41246608E-08-7.80459565E-12 9.35231821E+03 5.79329757E+01 4 C10H7O-2 HR 6/99 BLYP C 10H 7O 1 0G 300.000 5000.000 1403.000 01 2.55976281E+01 2.24775925E-02-7.77612184E-06 1.21700823E-09-7.10201185E-14 2 9.06605861E+02-1.15554102E+02-7.30371611E+00 1.10120287E-01-9.82564465E-05 3 4.38428145E-08-7.73044601E-12 1.11390084E+04 5.71293774E+01 4 C10H7OH-1 HR 6/99 BLYP C 10H 8O 1 0G 300.000 5000.000 1395.000 11 2.61461217E+01 2.46035266E-02-8.61118350E-06 1.35779500E-09-7.96351828E-14 2 -1.62253653E+04-1.17940723E+02-7.42523947E+00 1.15882243E-01-1.06394867E-04 3 4.96248553E-08-9.19061783E-12-5.79458155E+03 5.78975921E+01 4 C10H7OH-2 HR 6/99 BLYP C 10H 8O 1 0G 300.000 5000.000 1394.000 11 2.60758935E+01 2.46910885E-02-8.64754101E-06 1.36410864E-09-8.00285533E-14 2 -1.61139144E+04-1.18755598E+02-8.31179579E+00 1.19635782E-01-1.12084722E-04 3 5.32313499E-08-1.00013101E-11-5.54787579E+03 6.08896927E+01 4 A2R5T HR11/99 BLYP C 12H 6 0 0G 300.000 5000.000 1401.000 01 2.66540280E+01 2.17207861E-02-7.54721492E-06 1.18471222E-09-6.92813132E-14 2 7.13958092E+04-1.21786450E+02-6.76557587E+00 1.10513832E-01-9.89770768E-05 3 4.41620244E-08-7.77918730E-12 8.18116507E+04 5.36984426E+01 4 A2C2H-1*2 HR 6/99BLYP00C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.77904373E+01 2.31019479E-02-7.97704119E-06 1.24679301E-09-7.26882924E-14 2 6.31569647E+04-1.25040159E+02-5.18234502E+00 1.12253528E-01-1.01727572E-04 3 4.62890250E-08-8.32076397E-12 7.33142648E+04 4.76083111E+01 4 A2C2H-2*1 HR 6/99BLYP00C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.78361810E+01 2.30409525E-02-7.95097832E-06 1.24219174E-09-7.23984905E-14 2 6.30391968E+04-1.24659526E+02-4.95490826E+00 1.11801907E-01-1.01389673E-04 3 4.61739196E-08-8.30564686E-12 7.31298925E+04 4.70008276E+01 4 A2C2H-2*3 HR 6/99 BLYP C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.79965428E+01 2.29275935E-02-7.91737736E-06 1.23755570E-09-7.21543136E-14 2 6.30622660E+04-1.25776629E+02-4.87080451E+00 1.11181544E-01-9.99250169E-05 3 4.50353805E-08-8.02108631E-12 7.32308258E+04 4.65076148E+01 4 A2R5*1 TB 1/99 BLYP C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.72278172E+01 2.37367077E-02-8.23307891E-06 1.29080949E-09-7.54211310E-14 2 5.07348517E+04-1.26018952E+02-9.08815670E+00 1.20984551E-01-1.09212390E-04 3 4.91391820E-08-8.72000920E-12 6.19816965E+04 6.44119214E+01 4 A2R5*3 TB 1/99 BLYP C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.95753866E+01 2.14830939E-02-7.41615728E-06 1.16054865E-09-6.77674004E-14 2 4.75148199E+04-1.40035567E+02-1.00212736E+01 1.23858020E-01-1.08541906E-04 3 4.63139645E-08-7.72705443E-12 5.99924259E+04 6.86456422E+01 4 A2R5*4 TB 1/99 BLYP C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.73864003E+01 2.35907344E-02-8.18015231E-06 1.28227389E-09-7.49128449E-14 2 4.86973348E+04-1.26836980E+02-9.11350427E+00 1.21783503E-01-1.10617562E-04 3 5.00287584E-08-8.91366253E-12 5.99556335E+04 6.43973708E+01 4 A2R5*5 TB 1/99 BLYP C 12H 7 0 0G 300.000 5000.000 1402.000 01 2.73127115E+01 2.36607767E-02-8.20602003E-06 1.28649401E-09-7.51660931E-14 2 4.89445491E+04-1.26433916E+02-9.18225753E+00 1.21652543E-01-1.10229668E-04 3 4.97449695E-08-8.84730241E-12 6.02194179E+04 6.48400542E+01 4 A2C2H-1 HR 6/99BLYP00C 12H 8 0 0G 300.000 5000.000 1402.000 01 2.81900890E+01 2.51712611E-02-8.66104088E-06 1.35053518E-09-7.86089397E-14 2 3.14605226E+04-1.28122012E+02-6.11430047E+00 1.17048204E-01-1.04279472E-04 3 4.68267656E-08-8.33034419E-12 4.21068478E+04 5.17945076E+01 4 A2C2H-2 HR 6/99BLYP00C 12H 8 0 0G 300.000 5000.000 1401.000 01 2.81037851E+01 2.52819366E-02-8.70670593E-06 1.35838162E-09-7.90929668E-14 2 3.14307726E+04-1.28118655E+02-6.09908009E+00 1.17336938E-01-1.05143501E-04 3 4.75615843E-08-8.52376697E-12 4.20183462E+04 5.11354753E+01 4 A2R5 HR11/99BLYP00C 12H 8 0 0G 300.000 5000.000 1403.000 01 2.76084357E+01 2.58970568E-02-8.96396991E-06 1.40340023E-09-8.19162718E-14 2 1.76013063E+04-1.29907331E+02-1.03455978E+01 1.27178065E-01-1.13761164E-04 3 5.08965892E-08-8.99713706E-12 2.93924490E+04 6.92405711E+01 4 BIPHEN HR 4/99 BLYP00C 12H 8 0 0G 300.000 5000.000 1401.000 01 2.75844041E+01 2.58939856E-02-8.95813505E-06 1.40202452E-09-8.18183535E-14 2 3.71546148E+04-1.29116717E+02-9.78321241E+00 1.25214234E-01-1.11372820E-04 3 4.96439934E-08-8.75662028E-12 4.88101806E+04 6.71068024E+01 4 A2VINP HR 7/99 BLYP C 12H 9 0 0G 300.000 5000.000 1392.000 11 2.90164914E+01 2.74334513E-02-9.62681915E-06 1.52055203E-09-8.92864954E-14 2 4.16734692E+04-1.33446655E+02-8.70957405E+00 1.31261022E-01-1.22693726E-04 3 5.83208333E-08-1.09881844E-11 5.33299060E+04 6.38105272E+01 4 C12H9 HR 4/99 BLYP00C 12H 9 0 0G 300.000 5000.000 1394.000 11 2.85117985E+01 2.78635355E-02-9.77609837E-06 1.54399902E-09-9.06592229E-14 2 3.81667876E+04-1.31297837E+02-1.01510948E+01 1.32751910E-01-1.21966149E-04 3 5.68823204E-08-1.05361005E-11 5.02094552E+04 7.13031888E+01 4 HA2R5 HR 4/99 BLYP C 12H 9 0 0G 300.000 5000.000 1401.000 01 2.84978264E+01 2.76677553E-02-9.57018534E-06 1.49756964E-09-8.73816519E-14 2 2.03329226E+04-1.34408183E+02-1.03379311E+01 1.31025769E-01-1.16480526E-04 3 5.20773603E-08-9.22750700E-12 3.24541817E+04 6.95123229E+01 4 BIPHENH HR 4/99 BLYP00C 12H 9 0 0G 300.000 5000.000 1402.000 01 2.87663424E+01 2.73722766E-02-9.45354931E-06 1.47784724E-09-8.61724077E-14 2 4.70722218E+04-1.34442577E+02-1.03237782E+01 1.32036012E-01-1.18286026E-04 3 5.31769275E-08-9.45503080E-12 5.91991673E+04 7.05721752E+01 4 A2C2H3-2 HR 8/99 BLYP C 12H 10 0 0G 300.000 5000.000 1394.000 11 2.89504042E+01 2.99590007E-02-1.04804388E-05 1.65195416E-09-9.68627571E-14 2 1.10637210E+04-1.34249411E+02-9.23060535E+00 1.32105236E-01-1.18392555E-04 3 5.43764194E-08-9.98391849E-12 2.31158865E+04 6.63618940E+01 4 C12H10 HR11/99BLYP00C 12H 10 0 0G 300.000 5000.000 1394.000 11 2.86695178E+01 3.02015016E-02-1.05655370E-05 1.66543513E-09-9.76572185E-14 2 7.60422537E+03-1.34434827E+02-1.08038552E+01 1.35543795E-01-1.21268985E-04 3 5.53819438E-08-1.00979145E-11 2.00556981E+04 7.30009993E+01 4 A2R5H2 HR 4/99 BLYP C 12H 10 0 0G 300.000 5000.000 1399.000 01 2.82230130E+01 3.04885332E-02-1.05517790E-05 1.65167191E-09-9.63899602E-14 2 4.62721125E+03-1.34012627E+02-1.10564015E+01 1.32861959E-01-1.14364242E-04 3 4.99457145E-08-8.70951174E-12 1.71293238E+04 7.30488980E+01 4 FLUORENE HR11/99 BLYP C 13H 10 0 0G 300.000 5000.000 1400.000 01 3.04476803E+01 3.11178654E-02-1.07640759E-05 1.68444388E-09-9.82875496E-14 2 5.92347405E+03-1.45855799E+02-1.14291780E+01 1.40625771E-01-1.21919889E-04 3 5.33286885E-08-9.28204948E-12 1.91832070E+04 7.47141338E+01 4 BENZYLB* 5/ 7/97 THERMC 13H 11 0 0G 300.000 5000.000 1396.000 21 3.04698372E+01 3.23445549E-02-1.10940730E-05 1.72680045E-09-1.00400287E-13 2 3.51047561E+04-1.37460403E+02-9.81839341E+00 1.34012501E-01-1.10035370E-04 3 4.57009843E-08-7.59297167E-12 4.81985692E+04 7.59982040E+01 4 BENZYLB 5/ 7/97 THERMC 13H 12 0 0G 300.000 5000.000 1397.000 21 3.13943394E+01 3.37145350E-02-1.14863908E-05 1.78018669E-09-1.03206535E-13 2 3.59782041E+03-1.45511248E+02-1.11231775E+01 1.41604302E-01-1.16912225E-04 3 4.87422559E-08-8.10889354E-12 1.73288023E+04 7.95009869E+01 4 C6H5OC6H5 6/22/ 1 THERMC 12H 10O 1 0G 300.000 5000.000 1399.000 11 2.84185975E+01 3.18676723E-02-1.09040124E-05 1.69412956E-09-9.83658123E-14 2 -7.99856305E+03-1.27873085E+02-8.50044648E+00 1.24279448E-01-9.99283059E-05 3 4.08019387E-08-6.67918665E-12 4.07161899E+03 6.79938018E+01 4 A2R5YN1*2 HR 7/99 BLYP C 14H 7 0 0G 300.000 5000.000 1400.000 01 3.18826308E+01 2.48270613E-02-8.59898020E-06 1.34696470E-09-7.86553246E-14 2 7.46950504E+04-1.48000717E+02-7.22261674E+00 1.31395484E-01-1.21449249E-04 3 5.58755730E-08-1.01085404E-11 8.66450722E+04 5.64412655E+01 4 A2R5YN3*4 HR 11/99BLYP C 14H 7 0 0G 300.000 5000.000 1403.000 01 3.20556827E+01 2.46638522E-02-8.53744993E-06 1.33668652E-09-7.80255741E-14 2 7.38766433E+04-1.48236755E+02-6.40177627E+00 1.29670640E-01-1.19833893E-04 3 5.51057999E-08-9.95836756E-12 8.55974978E+04 5.27271055E+01 4 A2R5YN4*3 HR 11/99BLYP C 14H 7 0 0G 300.000 5000.000 1402.000 01 3.20292021E+01 2.46955395E-02-8.55137550E-06 1.33924806E-09-7.81927998E-14 2 7.41627859E+04-1.48567777E+02-6.80724534E+00 1.30160012E-01-1.19646053E-04 3 5.46843524E-08-9.82662943E-12 8.60464782E+04 5.45642178E+01 4 A2R5YN4*5 HR 11/99BLYP C 14H 7 0 0G 300.000 5000.000 1403.000 01 3.20221044E+01 2.46903037E-02-8.54681341E-06 1.33822804E-09-7.81202921E-14 2 7.45108809E+04-1.48012549E+02-6.55646892E+00 1.29404033E-01-1.18784303E-04 3 5.42365974E-08-9.73841861E-12 8.63194759E+04 5.37863099E+01 4 A2R5YN5*4 HR 7/99 BLYP C 14H 7 0 0G 300.000 5000.000 1404.000 01 3.20640677E+01 2.46700966E-02-8.54302844E-06 1.33795145E-09-7.81163664E-14 2 7.37678190E+04-1.48575286E+02-6.58001201E+00 1.29178493E-01-1.18016707E-04 3 5.35722667E-08-9.56225179E-12 8.56189900E+04 5.36752525E+01 4 A2R5YNE1 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 01 3.21119732E+01 2.71033090E-02-9.36641900E-06 1.46485221E-09-8.54407854E-14 2 4.12237735E+04-1.50347391E+02-7.94248081E+00 1.35252778E-01-1.22773168E-04 3 5.57488358E-08-9.98622256E-12 5.35583225E+04 5.94025060E+01 4 A2R5YNE3 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 01 3.22753161E+01 2.69761865E-02-9.32481150E-06 1.45856542E-09-8.50823247E-14 2 4.22413139E+04-1.50406092E+02-7.68051241E+00 1.35299173E-01-1.23464227E-04 3 5.63670416E-08-1.01469540E-11 5.45113980E+04 5.86879351E+01 4 A2R5YNE4 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1401.000 01 3.23047034E+01 2.69617198E-02-9.32221063E-06 1.45841344E-09-8.50839096E-14 2 4.26767312E+04-1.50798504E+02-7.99432137E+00 1.36928258E-01-1.26084103E-04 3 5.80711675E-08-1.05356870E-11 5.49966516E+04 5.98652621E+01 4 A2R5YNE5 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 01 3.21612525E+01 2.70662867E-02-9.35425400E-06 1.46297989E-09-8.53316967E-14 2 4.22611911E+04-1.50529220E+02-7.89238679E+00 1.35676852E-01-1.23792033E-04 3 5.65006962E-08-1.01667537E-11 5.45561956E+04 5.90637239E+01 4 A2R5R5 HR10/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 01 3.28490550E+01 2.60248665E-02-8.91800935E-06 1.38871423E-09-8.08143425E-14 2 3.45307798E+04-1.62050775E+02-1.32440960E+01 1.46606682E-01-1.29756959E-04 3 5.62162665E-08-9.53671891E-12 4.89332175E+04 8.03986449E+01 4 A3*1 HR 6/99BLYP00C 14H 9 0 0G 300.000 5000.000 1401.000 01 3.22842997E+01 2.96288141E-02-1.02664407E-05 1.60846116E-09-9.39327423E-14 2 3.93429658E+04-1.53865589E+02-1.09040715E+01 1.44543895E-01-1.28948698E-04 3 5.76183034E-08-1.01854264E-11 5.28076539E+04 7.28898322E+01 4 A3*2 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1403.000 01 3.24061829E+01 2.94901003E-02-1.02110654E-05 1.59905455E-09-9.33548206E-14 2 3.94950191E+04-1.54635510E+02-1.03837170E+01 1.41986852E-01-1.24578102E-04 3 5.46229132E-08-9.47662806E-12 5.29307683E+04 7.04410467E+01 4 A3*3 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1401.000 01 3.23352712E+01 2.95534698E-02-1.02335137E-05 1.60261098E-09-9.35637259E-14 2 3.94359528E+04-1.54127892E+02-1.07068459E+01 1.43931389E-01-1.28133313E-04 3 5.71148015E-08-1.00712201E-11 5.28621123E+04 7.18991058E+01 4 A3*4 HR 6/99BLYP00C 14H 9 0 0G 300.000 5000.000 1401.000 01 3.24592632E+01 2.94561329E-02-1.02023235E-05 1.59803996E-09-9.33111464E-14 2 3.82894894E+04-1.54957971E+02-1.09120537E+01 1.44627958E-01-1.28798224E-04 3 5.73715648E-08-1.01060264E-11 5.18219254E+04 7.28191713E+01 4 A3*9 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1401.000 01 3.23091706E+01 2.95756612E-02-1.02418755E-05 1.60404506E-09-9.36541706E-14 2 3.93266179E+04-1.54092471E+02-1.08338659E+01 1.43759844E-01-1.27400954E-04 3 5.65119210E-08-9.92057090E-12 5.28246534E+04 7.26189092E+01 4 A3L*1 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1402.000 01 3.26041293E+01 2.93237040E-02-1.01546474E-05 1.59039694E-09-9.28581901E-14 2 4.27451655E+04-1.55665014E+02-1.04306869E+01 1.42911481E-01-1.26222363E-04 3 5.57145031E-08-9.72784007E-12 5.62242162E+04 7.05603807E+01 4 A3L*2 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1402.000 01 3.24995443E+01 2.94337283E-02-1.01961022E-05 1.59713892E-09-9.32588021E-14 2 4.29487921E+04-1.55028995E+02-1.06433522E+01 1.44391482E-01-1.29012550E-04 3 5.76740472E-08-1.01918778E-11 5.63739912E+04 7.14142624E+01 4 A3L*9 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1401.000 01 3.24465299E+01 2.94711619E-02-1.02081441E-05 1.59899139E-09-9.33675462E-14 2 4.28774006E+04-1.55380840E+02-1.07658770E+01 1.44371887E-01-1.28744224E-04 3 5.74640986E-08-1.01445434E-11 5.63517400E+04 7.15192096E+01 4 A3 HR11/99BLYP00C 14H 10 0 0G 300.000 5000.000 1402.000 01 3.25629928E+01 3.18642789E-02-1.10210129E-05 1.72454013E-09-1.00623319E-13 2 8.20029214E+03-1.57226303E+02-1.19404574E+01 1.49110249E-01-1.30758245E-04 3 5.75914058E-08-1.00591474E-11 2.21810569E+04 7.68295519E+01 4 A3L HR 6/99 BLYP C 14H 10 0 0G 300.000 5000.000 1401.000 01 3.27305985E+01 3.17099289E-02-1.09656373E-05 1.71571476E-09-1.00103347E-13 2 1.17362521E+04-1.58794553E+02-1.17398193E+01 1.49210569E-01-1.31450144E-04 3 5.81987746E-08-1.02185477E-11 2.56849262E+04 7.49877748E+01 4 A3CH2 5/ 3/97 THERMC 15H 11 0 0G 300.000 5000.000 2030.000 11 2.95619587E+01 4.24589619E-02-1.55841596E-05 2.54481062E-09-1.53124916E-13 2 2.56273028E+04-1.36219923E+02 1.33783643E-01 1.04067922E-01-5.92362501E-05 3 1.43179766E-08-9.91637313E-13 3.59458944E+04 2.35063505E+01 4 A3CH2R 4/17/97 THERMC 15H 10 0 0G 300.000 5000.000 1679.000 01 3.08754522E+01 3.89931085E-02-1.43304911E-05 2.34246042E-09-1.41059587E-13 2 1.09638783E+04-1.63029882E+02 3.29405799E-02 1.05397773E-01-6.34852388E-05 3 1.67185481E-08-1.41534092E-12 2.15411920E+04 3.64655977E+00 4 A3CH3 5/ 3/97 THERMC 15H 12 0 0G 300.000 5000.000 2025.000 11 2.86721901E+01 4.57935671E-02-1.67466881E-05 2.72794395E-09-1.63863026E-13 2 6.77859249E+03-1.31269124E+02 2.45407326E-01 1.03437006E-01-5.52427842E-05 3 1.17708807E-08-4.92994185E-13 1.69368456E+04 2.37077261E+01 4 A3C2H-1*P HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1397.000 01 3.70857649E+01 3.04702886E-02-1.05239953E-05 1.64574966E-09-9.60012998E-14 2 6.46707148E+04-1.75357378E+02-7.64228357E+00 1.48096120E-01-1.30459803E-04 3 5.75544684E-08-1.00616675E-11 7.87427736E+04 5.99568969E+01 4 A3C2H-2*S HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1398.000 01 3.67812640E+01 3.10152926E-02-1.07699767E-05 1.68976783E-09-9.87789667E-14 2 6.37587690E+04-1.73313834E+02-7.59050661E+00 1.48490072E-01-1.31806093E-04 3 5.88251124E-08-1.04170126E-11 7.76876714E+04 5.99259097E+01 4 A3LC2H-1P HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1398.000 01 3.69761818E+01 3.08193210E-02-1.06965859E-05 1.67778297E-09-9.80620291E-14 2 6.79541065E+04-1.74972098E+02-7.56740419E+00 1.48323508E-01-1.31149481E-04 3 5.82066411E-08-1.02467110E-11 8.19613331E+04 5.92914507E+01 4 A3LC2H-2S HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1399.000 01 3.66559836E+01 3.12302365E-02-1.08658946E-05 1.70683061E-09-9.98515258E-14 2 6.72803820E+04-1.72871237E+02-7.66908506E+00 1.49644964E-01-1.34233214E-04 3 6.06242971E-08-1.08566423E-11 8.11152065E+04 5.97899788E+01 4 A3LC2H-2P HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1399.000 01 3.66559836E+01 3.12302365E-02-1.08658946E-05 1.70683061E-09-9.98515258E-14 2 6.80352889E+04-1.72871237E+02-7.66908506E+00 1.49644964E-01-1.34233214E-04 3 6.06242971E-08-1.08566423E-11 8.18701134E+04 5.97899788E+01 4 A3C2H-1 HR 6/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.73588865E+01 3.27870345E-02-1.13180045E-05 1.76874124E-09-1.03111666E-13 2 3.34456064E+04-1.78293824E+02-9.27377401E+00 1.57876205E-01-1.41734955E-04 3 6.39142152E-08-1.14013129E-11 4.79003559E+04 6.62159504E+01 4 A3C2H-2 HR 7/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.72598081E+01 3.29424978E-02-1.13861351E-05 1.78078654E-09-1.03866988E-13 2 3.32307992E+04-1.77354975E+02-9.00521419E+00 1.57177024E-01-1.41194806E-04 3 6.38147186E-08-1.14169607E-11 4.75751775E+04 6.52082588E+01 4 A3LC2H-1 HR 7/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.74827660E+01 3.27099697E-02-1.12974783E-05 1.76615507E-09-1.02985684E-13 2 3.66577899E+04-1.79180212E+02-8.94268100E+00 1.56713058E-01-1.39932122E-04 3 6.27431037E-08-1.11341384E-11 5.10915870E+04 6.44146529E+01 4 A3LC2H-2 HR 7/99 BLYP C 16H 10 0 0G 300.000 5000.000 1400.000 01 3.74773553E+01 3.27355424E-02-1.13109925E-05 1.76875695E-09-1.03157212E-13 2 3.65833586E+04-1.78932685E+02-9.16021024E+00 1.58140186E-01-1.42534556E-04 3 6.45714125E-08-1.15726073E-11 5.10266394E+04 6.55248053E+01 4 A21C6H4 HR04/00 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.69495994E+01 3.33279536E-02-1.15489217E-05 1.80952867E-09-1.05682526E-13 2 3.60140698E+04-1.78733511E+02-1.19636639E+01 1.62807374E-01-1.44396441E-04 3 6.40547710E-08-1.12414299E-11 5.13118179E+04 7.82858000E+01 4 A22C6H4 HR12/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.69160760E+01 3.33543122E-02-1.15579680E-05 1.81096938E-09-1.05768626E-13 2 3.71293370E+04-1.79912823E+02-1.24914820E+01 1.64174058E-01-1.45751722E-04 3 6.46493273E-08-1.13381721E-11 5.25712744E+04 7.96804517E+01 4 FLTHN*1 HR 7/99 BLYP C 16H 9 0 0G 300.000 5000.000 1402.000 01 3.63821957E+01 3.13391202E-02-1.08805579E-05 1.70708982E-09-9.97956800E-14 2 4.83565113E+04-1.76848693E+02-1.20375345E+01 1.59634285E-01-1.42416640E-04 3 6.32069010E-08-1.10692481E-11 6.34613948E+04 7.74902157E+01 4 FLTHN*3 HR 7/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 01 3.63844824E+01 3.13608599E-02-1.08932174E-05 1.70959728E-09-9.99629996E-14 2 4.86005769E+04-1.76884077E+02-1.21931066E+01 1.60206400E-01-1.43175351E-04 3 6.36553100E-08-1.11667051E-11 6.37458878E+04 7.82445852E+01 4 FLTHN*7 HR 7/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 01 3.63148950E+01 3.14318646E-02-1.09199042E-05 1.71395677E-09-1.00223601E-13 2 4.83383327E+04-1.76380800E+02-1.22209030E+01 1.60459694E-01-1.43780999E-04 3 6.41350151E-08-1.12883975E-11 6.34501455E+04 7.84391373E+01 4 A3R5*7 HR 11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1402.000 01 3.65198841E+01 3.12053139E-02-1.08300483E-05 1.69870300E-09-9.92854587E-14 2 5.19613121E+04-1.77370872E+02-1.22352016E+01 1.61692639E-01-1.46124302E-04 3 6.56704260E-08-1.16286724E-11 6.70531193E+04 7.82881978E+01 4 A3R5*10 HR 11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 01 3.66422872E+01 3.10853394E-02-1.07862682E-05 1.69170990E-09-9.88746344E-14 2 5.14040913E+04-1.78135777E+02-1.21897707E+01 1.61189097E-01-1.44965037E-04 3 6.47870002E-08-1.14113841E-11 6.65676994E+04 7.81180690E+01 4 A3LR5*S MM300-THERM C 16H 9 0 0G 300.000 5000.000 1394.000 01 3.51937788E+01 3.24891140E-02-1.13089072E-05 1.77729051E-09-1.04019562E-13 2 5.48035190E+04-1.67315319E+02-8.50245255E+00 1.42965250E-01-1.19412269E-04 3 5.02477747E-08-8.45566931E-12 6.90225761E+04 6.41914316E+01 4 PYRENE*1 HR11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 01 3.63345177E+01 3.13968020E-02-1.09044660E-05 1.71125597E-09-1.00056355E-13 2 4.05143093E+04-1.77494305E+02-1.20603441E+01 1.59247554E-01-1.41562602E-04 3 6.26071650E-08-1.09305161E-11 5.56473533E+04 7.68451211E+01 4 PYRENE*2 HR11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 01 3.63627635E+01 3.14148576E-02-1.09190450E-05 1.71432648E-09-1.00264960E-13 2 4.04978572E+04-1.78212405E+02-1.20714675E+01 1.60238508E-01-1.43696791E-04 3 6.41750590E-08-1.13112521E-11 5.55777705E+04 7.60615466E+01 4 PYRENE*4 HR11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1402.000 01 3.63232136E+01 3.13940645E-02-1.09004163E-05 1.71027067E-09-9.99837591E-14 2 4.04517725E+04-1.77288275E+02-1.19738229E+01 1.59343863E-01-1.42091968E-04 3 6.30656072E-08-1.10480587E-11 5.55239715E+04 7.64192993E+01 4 A2C6H5-2 HR 8/99 BLYP C 16H 12 0 0G 300.000 5000.000 1397.000 11 3.80282037E+01 3.76519528E-02-1.31640724E-05 2.07433637E-09-1.21609502E-13 2 1.11550764E+04-1.85043277E+02-1.33768307E+01 1.73717213E-01-1.54115598E-04 3 6.92566084E-08-1.23987608E-11 2.73858799E+04 8.53292167E+01 4 FLTHN HR 4/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.65828989E+01 3.36775448E-02-1.16788087E-05 1.83083981E-09-1.06967522E-13 2 1.72680575E+04-1.79821482E+02-1.30869351E+01 1.64239769E-01-1.44492135E-04 3 6.34903784E-08-1.10395110E-11 3.28765164E+04 8.14697326E+01 4 A3R5 HR 4/99 BLYP C 16H 10 0 0G 300.000 5000.000 1402.000 01 3.67462285E+01 3.34932026E-02-1.16049002E-05 1.81821016E-09-1.06187329E-13 2 2.08682892E+04-1.79724343E+02-1.30559449E+01 1.65231504E-01-1.46521443E-04 3 6.48635058E-08-1.13498164E-11 3.64369485E+04 8.19714754E+01 4 A3LR5 HR04/00 BLYP C 16H 10 0 0G 300.000 5000.000 1400.000 01 3.68457135E+01 3.34150918E-02-1.15801847E-05 1.81464809E-09-1.05993871E-13 2 1.99631829E+04-1.80251762E+02-1.31351173E+01 1.65787508E-01-1.47428990E-04 3 6.54689019E-08-1.14931149E-11 3.55827405E+04 8.23449607E+01 4 PYRENE HR11/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 01 3.65839677E+01 3.36764102E-02-1.16783938E-05 1.83077466E-09-1.06963777E-13 2 9.29809483E+03-1.81272070E+02-1.29758980E+01 1.63790064E-01-1.43851166E-04 3 6.31057915E-08-1.09568047E-11 2.48866399E+04 7.94950474E+01 4 C17H12 4/17/97 THERMC 17H 12 0 0G 300.000 5000.000 1405.000 01 4.11040047E+01 3.67792562E-02-1.26036220E-05 1.96087752E-09-1.13984330E-13 2 9.47510476E+03-2.16049363E+02-8.58343979E+00 1.60057584E-01-1.28765404E-04 3 5.12280781E-08-8.03214186E-12 2.56750173E+04 4.76882177E+01 4 BENZNAP*P 5/ 7/97 THERMC 17H 13 0 0G 300.000 5000.000 1399.000 21 3.88954781E+01 4.11238813E-02-1.42614963E-05 2.23537593E-09-1.30576801E-13 2 3.91556493E+04-1.83892318E+02-7.35122364E+00 1.50114013E-01-1.11256285E-04 3 4.09326552E-08-5.96521825E-12 5.49197569E+04 6.38064985E+01 4 BENZNAP 5/ 7/97 THERMC 17H 14 0 0G 300.000 5000.000 1401.000 21 3.97312584E+01 4.26008434E-02-1.46937040E-05 2.29500053E-09-1.33737802E-13 2 7.69581435E+03-1.90039002E+02-8.89129718E+00 1.58769839E-01-1.19756179E-04 3 4.49829278E-08-6.70081411E-12 2.40852982E+04 6.97802815E+01 4 CPCDPYR*S MM300-THERM C 18H 9 0 0G 300.000 5000.000 1395.000 01 3.84873029E+01 3.51495336E-02-1.23057404E-05 1.94106236E-09-1.13884178E-13 2 5.54503696E+04-1.88021855E+02-9.74458693E+00 1.57679798E-01-1.32980961E-04 3 5.64491457E-08-9.57636794E-12 7.11017106E+04 6.73313270E+01 4 PYC2H-1*P 6/18/99 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.67764045E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.13246792E+04 2.59457844E+01 4 PYC2H-2*S 6/18/99 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.60214976E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.05697723E+04 2.59457844E+01 4 PYC2H-4*S 6/18/99 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 01 3.95503456E+01 3.50980873E-02-1.24815028E-05 1.98905158E-09-1.17522532E-13 2 6.60214976E+04-1.91256136E+02-4.46464976E-01 1.21677939E-01-8.16502810E-05 3 2.61409743E-08-3.21316409E-12 8.05697723E+04 2.59457844E+01 4 CPCDFLT*S MM300-THERM C 18H 9 0 0G 300.000 5000.000 1396.000 01 3.88895871E+01 3.47733873E-02-1.21681316E-05 1.91874600E-09-1.12550341E-13 2 6.68887774E+04-1.89700683E+02-9.72036948E+00 1.59401653E-01-1.36157086E-04 3 5.84863879E-08-1.00218875E-11 8.25469854E+04 6.72469039E+01 4 BGHIF- 10/14/93 MM3CPC 18H 9 0 0G 300.000 5000.000 1392.000 01 3.79694228E+01 3.60045127E-02-1.28047211E-05 2.04710644E-09-1.21008988E-13 2 5.91537344E+04-1.84742037E+02-1.03219244E+01 1.59856963E-01-1.36701409E-04 3 5.91481654E-08-1.02567992E-11 7.47731263E+04 7.06228071E+01 4 CPCDPYR CJP MM300 C 18H 10 0 0G 300.000 5000.000 1397.000 01 3.93033800E+01 3.66582873E-02-1.27516118E-05 2.00305252E-09-1.17190872E-13 2 2.47553989E+04-1.94053017E+02-1.12333601E+01 1.66147995E-01-1.41236546E-04 3 6.03661973E-08-1.02854281E-11 4.10132954E+04 7.30590286E+01 4 PYC2H-1 6/18/99 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 01 4.00549856E+01 3.70780570E-02-1.31321889E-05 2.08714093E-09-1.23089687E-13 2 3.54491810E+04-1.95526559E+02-1.66684897E+00 1.29146981E-01-8.88321137E-05 3 2.96510612E-08-3.87600847E-12 5.04370421E+04 3.03979898E+01 4 PYC2H-2 6/18/99 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 01 4.00549856E+01 3.70780570E-02-1.31321889E-05 2.08714093E-09-1.23089687E-13 2 3.54491810E+04-1.96221074E+02-1.66684897E+00 1.29146981E-01-8.88321137E-05 3 2.96510612E-08-3.87600847E-12 5.04370421E+04 2.97034755E+01 4 PYC2H-4 6/18/99 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 01 4.00549856E+01 3.70780570E-02-1.31321889E-05 2.08714093E-09-1.23089687E-13 2 3.54491810E+04-1.95526559E+02-1.66684897E+00 1.29146981E-01-8.88321137E-05 3 2.96510612E-08-3.87600847E-12 5.04370421E+04 3.03979898E+01 4 CPCDFLTH CJP MM300 C 18H 10 0 0G 300.000 5000.000 1397.000 01 3.97042103E+01 3.62875053E-02-1.26167140E-05 1.98124475E-09-1.15889972E-13 2 3.61938584E+04-1.95725467E+02-1.12186021E+01 1.67908199E-01-1.44462462E-04 3 6.24318852E-08-1.07368706E-11 5.24600725E+04 7.30190412E+01 4 BGHIF 10/07/93 MM395C 18H 10 0 0G 300.000 5000.000 1392.000 01 3.89402846E+01 3.75036664E-02-1.33632064E-05 2.14509430E-09-1.27219014E-13 2 2.83699011E+04-1.91759886E+02-1.16928756E+01 1.67865779E-01-1.44270086E-04 3 6.26787591E-08-1.09009059E-11 4.46898283E+04 7.57989908E+01 4 A4*1 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.94762480E+01 3.92536023E-02-1.36874700E-05 2.15317746E-09-1.26090015E-13 2 4.51513594E+04-1.91830797E+02-9.34874177E+00 1.61214447E-01-1.31684897E-04 3 5.45551798E-08-9.08824995E-12 6.12262970E+04 6.74377413E+01 4 A4*4 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.94762480E+01 3.92536023E-02-1.36874700E-05 2.15317746E-09-1.26090015E-13 2 4.51513594E+04-1.91830797E+02-9.34874177E+00 1.61214447E-01-1.31684897E-04 3 5.45551798E-08-9.08824995E-12 6.12262970E+04 6.74377413E+01 4 A4*12 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.94762480E+01 3.92536023E-02-1.36874700E-05 2.15317746E-09-1.26090015E-13 2 4.41448169E+04-1.91830797E+02-9.34874177E+00 1.61214447E-01-1.31684897E-04 3 5.45551798E-08-9.08824995E-12 6.02197544E+04 6.74377413E+01 4 A4L*S MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.95745351E+01 3.91809281E-02-1.36647564E-05 2.14987452E-09-1.25907418E-13 2 4.89187170E+04-1.92576077E+02-9.41367525E+00 1.61844634E-01-1.32696108E-04 3 5.51838714E-08-9.22564124E-12 6.50200688E+04 6.74581695E+01 4 CHRYSEN*1 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.94271918E+01 3.92828136E-02-1.36947073E-05 2.15400475E-09-1.26125737E-13 2 4.43864722E+04-1.91848271E+02-9.12122835E+00 1.60307896E-01-1.30504730E-04 3 5.38950856E-08-8.95299337E-12 6.03944025E+04 6.60377334E+01 4 CHRYSEN*4 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.94271918E+01 3.92828136E-02-1.36947073E-05 2.15400475E-09-1.26125737E-13 2 4.43864722E+04-1.91848271E+02-9.12122835E+00 1.60307896E-01-1.30504730E-04 3 5.38950856E-08-8.95299337E-12 6.03944025E+04 6.60377334E+01 4 CHRYSEN*5 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 01 3.94271918E+01 3.92828136E-02-1.36947073E-05 2.15400475E-09-1.26125737E-13 2 4.43864722E+04-1.91848271E+02-9.12122835E+00 1.60307896E-01-1.30504730E-04 3 5.38950856E-08-8.95299337E-12 6.03944025E+04 6.60377334E+01 4 A4 CJP MM300 C 18H 12 0 0G 300.000 5000.000 1396.000 01 4.03265821E+01 4.07367876E-02-1.41254026E-05 2.21402777E-09-1.29334587E-13 2 1.44447416E+04-1.98056385E+02-1.09140922E+01 1.70112390E-01-1.40590704E-04 3 5.88710739E-08-9.88423095E-12 3.11466099E+04 7.34991683E+01 4 A4L CJP MM300 C 18H 12 0 0G 300.000 5000.000 1396.000 01 4.04228139E+01 4.06672388E-02-1.41040032E-05 2.21094923E-09-1.29165672E-13 2 1.82130567E+04-2.00174090E+02-1.09912263E+01 1.70796286E-01-1.41681280E-04 3 5.95483222E-08-1.00321396E-11 3.49422424E+04 7.21922212E+01 4 CHRYSEN CJP MM300 C 18H 12 0 0G 300.000 5000.000 1396.000 01 4.02767814E+01 4.07664763E-02-1.41327835E-05 2.21487630E-09-1.29371528E-13 2 1.36797665E+04-1.98070319E+02-1.06837095E+01 1.69184362E-01-1.39372979E-04 3 5.81858481E-08-9.74318604E-12 3.03145297E+04 7.20877574E+01 4 BGHIFR*S 7/ 5/97 THERMC 20H 9 0 0G 300.000 5000.000 1399.000 01 4.22624837E+01 3.71779918E-02-1.30403918E-05 2.05971458E-09-1.20964702E-13 2 7.23945545E+04-2.10398790E+02-1.44354647E+01 1.81837307E-01-1.55250656E-04 3 6.57937053E-08-1.10481017E-11 9.06241705E+04 8.93761309E+01 4 COR- 10/14/93 MM3CPC 20H 9 0 0G 300.000 5000.000 1392.000 01 4.18820735E+01 3.79920848E-02-1.35580986E-05 2.17210438E-09-1.28540315E-13 2 7.02550491E+04-2.07120405E+02-1.09220565E+01 1.74041374E-01-1.50266809E-04 3 6.54231542E-08-1.13904321E-11 8.72630043E+04 7.18725894E+01 4 BGHIFR 7/ 5/97 THERMC 20H 10 0 0G 300.000 5000.000 1400.000 01 4.30826533E+01 3.86766320E-02-1.34815307E-05 2.12085349E-09-1.24217790E-13 2 4.16972960E+04-2.17148736E+02-1.59457051E+01 1.90371796E-01-1.63582323E-04 3 6.97460480E-08-1.17628979E-11 6.05398144E+04 9.45149458E+01 4 COR 10/07/93 MM395C 20H 10 0 0G 300.000 5000.000 1392.000 01 4.27878430E+01 3.95584799E-02-1.41369459E-05 2.27253919E-09-1.34853665E-13 2 3.94962021E+04-2.15377773E+02-1.22383924E+01 1.81741656E-01-1.57412721E-04 3 6.87251104E-08-1.19898784E-11 5.71738318E+04 7.52022603E+01 4 DCPCDFG CJP MM300 C 20H 10 0 0G 300.000 5000.000 1397.000 01 4.34264080E+01 3.83637488E-02-1.33666565E-05 2.10201337E-09-1.23078122E-13 2 3.86556815E+04-2.17352665E+02-1.23277269E+01 1.82567415E-01-1.57821517E-04 3 6.82995686E-08-1.17436018E-11 5.64433901E+04 7.68352618E+01 4 BAPYR*S MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 01 4.30858151E+01 4.14473057E-02-1.44826260E-05 2.28148262E-09-1.33736061E-13 2 4.70234412E+04-2.12799296E+02-1.03965058E+01 1.75095903E-01-1.43680569E-04 3 5.95429679E-08-9.89931392E-12 6.46065317E+04 7.11484565E+01 4 BEPYREN*S MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 01 4.30444483E+01 4.14575803E-02-1.44807291E-05 2.28062457E-09-1.33663512E-13 2 4.59293949E+04-2.12695279E+02-1.03628170E+01 1.74833756E-01-1.43288903E-04 3 5.92981045E-08-9.84410424E-12 6.34929070E+04 7.08784003E+01 4 PERYLEN*S MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 01 4.30766150E+01 4.14336226E-02-1.44731077E-05 2.27949382E-09-1.33599799E-13 2 4.85353170E+04-2.13072362E+02-1.03102093E+01 1.74850712E-01-1.43438581E-04 3 5.94268516E-08-9.87680220E-12 6.60844969E+04 7.03627808E+01 4 BBFLUOR*S MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 01 4.34985937E+01 4.10690319E-02-1.43459961E-05 2.25951436E-09-1.32430931E-13 2 5.13416803E+04-2.14428516E+02-1.05962228E+01 1.77383352E-01-1.47349837E-04 3 6.17580969E-08-1.03664574E-11 6.90063571E+04 7.23577588E+01 4 BAPYR CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 01 4.39390181E+01 4.29285563E-02-1.49199239E-05 2.34223140E-09-1.36974444E-13 2 1.63161947E+04-2.19040740E+02-1.19841377E+01 1.84106911E-01-1.52761044E-04 3 6.39685561E-08-1.07196243E-11 3.45298004E+04 7.73099666E+01 4 BEPYREN CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 01 4.39081229E+01 4.29244912E-02-1.49120808E-05 2.34035690E-09-1.36839625E-13 2 1.52188378E+04-2.18993441E+02-1.19222172E+01 1.83746722E-01-1.52240338E-04 3 6.36497846E-08-1.06491711E-11 3.34111148E+04 7.69031762E+01 4 PERYLEN CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 01 4.39342260E+01 4.29089431E-02-1.49079712E-05 2.33982939E-09-1.36813004E-13 2 1.78264045E+04-2.19338272E+02-1.18863080E+01 1.83817154E-01-1.52455882E-04 3 6.38144295E-08-1.06889820E-11 3.60058209E+04 7.64693785E+01 4 BBFLUOR CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 01 4.43530126E+01 4.25497219E-02-1.47832424E-05 2.32027261E-09-1.35670659E-13 2 2.06334287E+04-2.20678121E+02-1.21872196E+01 1.86403342E-01-1.56436955E-04 3 6.61852991E-08-1.11867885E-11 3.89302853E+04 7.85360438E+01 4 BKFLUOR CJP MM300 C 20H 12 0 0G 300.000 5000.000 1397.000 01 4.44105644E+01 4.25045158E-02-1.47684288E-05 2.31803902E-09-1.35543710E-13 2 2.15909272E+04-2.21769416E+02-1.23690479E+01 1.87345934E-01-1.57838371E-04 3 6.70342389E-08-1.13697641E-11 3.99297385E+04 7.85811719E+01 4 COR1- 10/14/93 MM3CPC 22H 9 0 0G 300.000 5000.000 1392.000 01 4.62733707E+01 3.95434254E-02-1.41956688E-05 2.28472215E-09-1.35572344E-13 2 8.54258428E+04-2.31180592E+02-1.18274676E+01 1.90511946E-01-1.67144706E-04 3 7.35517112E-08-1.28953756E-11 1.03995545E+05 7.53182401E+01 4 COR1 10/07/93 MM395C 22H 10 0 0G 300.000 5000.000 1392.000 01 4.70988680E+01 4.12063720E-02-1.48107532E-05 2.39083832E-09-1.42211196E-13 2 5.57078183E+04-2.37415092E+02-1.30252449E+01 1.97686660E-01-1.73592945E-04 3 7.64757307E-08-1.34206064E-11 7.48954747E+04 7.96614340E+01 4 ANTHAN*S 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.42073192E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.18661063E+04 1.32343772E+01 4 BGHIPE*S1 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 01 4.74614538E+01 4.43401509E-02-1.58273797E-05 2.52846576E-09-1.49647050E-13 2 4.31001224E+04-2.39621324E+02 1.49345169E+00 1.35027390E-01-7.73690355E-05 3 1.81774534E-08-1.00072414E-12 6.07589096E+04 1.32343772E+01 4 ANTHAN 4/19/97 THERMC 22H 12 0 0G 300.000 5000.000 1369.000 01 4.81256280E+01 4.63751387E-02-1.65412148E-05 2.64117181E-09-1.56262861E-13 2 1.34023793E+04-2.46573874E+02-1.36730450E+00 1.48143318E-01-9.16739936E-05 3 2.57814320E-08-2.54438862E-12 3.20267246E+04 2.42473189E+01 4 BGHIPER 4/19/97 THERMC 22H 12 0 0G 300.000 5000.000 1369.000 01 4.81256280E+01 4.63751387E-02-1.65412148E-05 2.64117181E-09-1.56262861E-13 2 1.22951825E+04-2.45189878E+02-1.36730450E+00 1.48143318E-01-9.16739936E-05 3 2.57814320E-08-2.54438862E-12 3.09195278E+04 2.56313149E+01 4 INPYR 5/ 2/97 THERMC 22H 12 0 0G 300.000 5000.000 1381.000 01 4.76653784E+01 4.65937341E-02-1.65769176E-05 2.64248784E-09-1.56163481E-13 2 2.18367238E+04-2.44196906E+02-1.14383875E+01 1.84037939E-01-1.38944611E-04 3 5.24653842E-08-8.00697910E-12 4.24074317E+04 7.34314710E+01 4 COR2- 10/14/93 MM3CPC 24H 9 0 0G 300.000 5000.000 1392.000 01 5.04787000E+01 4.12866148E-02-1.48832005E-05 2.40200124E-09-1.42738960E-13 2 9.98526125E+04-2.54201528E+02-1.26286768E+01 2.06188777E-01-1.82851651E-04 3 8.10286539E-08-1.42709343E-11 1.19917945E+05 7.83603007E+01 4 COR2 10/07/93 MM395C 24H 10 0 0G 300.000 5000.000 1393.000 01 5.12987742E+01 4.29686550E-02-1.55136077E-05 2.51161350E-09-1.49618788E-13 2 7.00856420E+04-2.60359850E+02-1.38599251E+01 2.13498661E-01-1.89474060E-04 3 8.40463702E-08-1.48147924E-11 9.07728811E+04 8.29111752E+01 4 C24H12 11/23/99 THERMC 24H 12 0 0G 300.000 5000.000 1371.000 01 5.55454944E+01 4.54292089E-02-1.62780450E-05 2.60711826E-09-1.54578623E-13 2 1.59299478E+04-3.01220693E+02-2.81114687E+00 1.70376537E-01-1.13436619E-04 3 3.47140322E-08-3.85152856E-12 3.71902940E+04 1.60010843E+01 4 CORONEN 4/25/97 THERMC 24H 12 0 0G 300.000 5000.000 1390.000 01 4.86101982E+01 5.28772157E-02-1.89008922E-05 3.00178616E-09-1.76469956E-13 2 1.46941263E+04-2.50296625E+02-1.06425561E+01 1.98516582E-01-1.58382866E-04 3 6.47916942E-08-1.07944491E-11 3.45791921E+04 6.54214369E+01 4 CPBPER 5/ 3/97 THERMC 24H 12 0 0G 300.000 5000.000 1377.000 01 5.12101587E+01 4.89830306E-02-1.74723344E-05 2.78999033E-09-1.65074970E-13 2 3.07883283E+04-2.60357152E+02-9.65221751E+00 1.87487156E-01-1.37593123E-04 3 5.03122072E-08-7.44471861E-12 5.23225860E+04 6.78810838E+01 4 C24H14 11/ 8/99 THERMC 24H 14 0 0G 300.000 5000.000 1374.000 01 5.29198501E+01 5.25178744E-02-1.86655723E-05 2.97337107E-09-1.75631383E-13 2 1.47785587E+04-2.67799705E+02-3.45453406E+00 1.71450973E-01-1.10039128E-04 3 3.30044193E-08-3.66511657E-12 3.56367785E+04 3.95121930E+01 4 C3H4CY CBS-Q 07/01 C 3H 4 0 0G 300.000 5000.000 1401.000 01 7.28473872E+00 9.73465735E-03-3.31215266E-06 5.12385485E-10-2.96526304E-14 2 3.09394431E+04-1.73773539E+01-1.22939571E+00 3.09278146E-02-2.38345578E-05 3 9.66674389E-09-1.60512013E-12 3.37639000E+04 2.78824025E+01 4 CH3OCH2 3/ 7/ 1 THERMC 2H 5O 1 0G 300.000 5000.000 1363.000 21 7.91375906E+00 1.09888829E-02-3.77054821E-06 5.87065615E-10-3.41411130E-14 2 -1.15664834E+03-1.64433810E+01 2.29898410E+00 1.93187636E-02-5.99096919E-06 3 -8.95193519E-10 5.85763310E-13 1.32864134E+03 1.55060524E+01 4 CH3OCH3 103190C 2H 6O 1 G 0300.00 4000.00 1500.00 1 0.12280999E+02 0.06711031E-01-0.04726871E-05-0.03636408E-08 0.06084545E-12 2 -0.02839742E+06-0.04434692E+03 0.12452464E+01 0.02381198E+00-0.08266949E-04 3 0.03068452E-08 0.01909247E-11-0.02335996E+06 0.01855817E+03 4 ! l/w CH3CHCHCHO T 5/92C 4H 6O 1 0G 298.150 3000.0 1000.0 1 1.98794540E+01-2.09130550E-02 4.45360508E-05-2.60374870E-08 4.86836120E-12 2 -1.95278768E+04-6.87200320E+01-1.55577660E+00 4.09640630E-02-1.69868810E-05 3 -6.00928140E-18 2.31368530E-21-1.41394920E+04 3.74707580E+01-1.29340710E+04 4 CH2CHCOCH3 T 3/97C 4H 6O 1 0G 200.000 3000.0 1000.0 1 1.98794540E+01-2.09130550E-02 4.45360580E-05-2.60374870E-08 4.86836120E-12 2 -1.90786168E+04-6.97265750E+01-1.55577660E+00 4.09640630E-02-1.69868810E-05 3 -6.00928140E-18 2.31368530E-21-1.49447258E+04 3.64642160E+01-1.66079520E+04 4 CH2CHCO T05/99C 3H 3O 1 0G 200.000 6000.0 1000.0 1 6.95842227E+00 1.07193211E-02-3.85218494E-06 6.22009064E-10-3.72401640E-14 2 5.64826498E+03-1.14745786E+01 3.21169467E+00 1.18422105E-02 1.67462582E-05 3 -3.06947176E-08 1.33048816E-11 7.12815750E+03 1.00881663E+01 8.70564832E+03 4 C4H4O T03/97C 4H 4O 1 0G 200.000 6000.0 1000.0 1 9.38935003E+00 1.40291241E-02-5.07755110E-06 8.24137332E-10-4.95319963E-14 2 -8.68241814E+03-2.79162920E+01 8.47469463E-01 1.31773796E-02 5.99735901E-05 3 -9.71562904E-08 4.22733796E-11-5.36785445E+03 2.14945172E+01-4.17166616E+03 4 CH3CHCHCO T03/97C 4H 5O 1 0G 200.000 6000.000 1000.0 1 8.90967920E+00 1.34364140E-02-7.62977390E-07-1.69114810E-09 2.95540440E-13 2 1.48898740E+03-1.79662460E+01-1.08199860E+00 3.64929760E-02-1.52255950E-05 3 -5.62607170E-18 2.16113750E-21 3.56713230E+03 3.27142550E+01 4.73074990E+03 4 CH2CHCHCHO T03/97C 4H 5O 1 0G 200.000 6000.000 1000.0 1 8.90967920E+00 1.34364140E-02-7.62977390E-07-1.69114810E-09 2.95540440E-13 2 1.48898740E+03-1.79662460E+01-1.08199860E+00 3.64929760E-02-1.52255950E-05 3 -5.62607170E-18 2.16113750E-21 3.56713230E+03 3.27142550E+01 4.73074990E+03 4 CH2CHCH2CHO T 5/92C 4H 6O 1 0G 298.150 3000.0 1000.0 1 1.98794540E+01-2.09130550E-02 4.45360508E-05-2.60374870E-08 4.86836120E-12 2 -1.58539966E+04-6.71095639E+01-1.55577660E+00 4.09640630E-02-1.69868810E-05 3 -6.00928140E-18 2.31368530E-21-1.04656118E+04 3.90812260E+01-1.29340710E+04 4 C4H612 A 8/83C 4H 6 0 0G 300. 3000. 1000.0 1 0.1781557E 02 -0.4257502E-02 0.1051185E-04 -0.4473844E-08 0.5848138E-12 2 0.1267342E 05 -0.6982662E 02 0.1023467E 01 0.3495919E-01 -0.2200905E-04 3 0.6942272E-08 -0.7879187E-12 0.1811799E 05 0.1975066E 02 0.1950807E+05 4 C4H6-2 A 8/83C 4H 6 0 0G 300. 3000. 1000.0 1 9.0338133E+00 8.2124510E-03 7.1753952E-06 -5.8834334E-09 1.0343915E-12 2 1.4335068E+04 -2.0985762E+01 2.1373338E+00 2.6486229E-02 -9.0568711E-06 3 -5.5386397E-19 2.1281884E-22 1.5710902E+04 1.3529426E+01 1.7488676E+04 4 C2H3CHO T 6/92C 3H 4O 1 0G 298.150 3000.0 1000.0 1 0.48353180E+01 0.19772601E-01-0.10426628E-04 0.26525803E-08-0.26278207E-12 2 -0.11557837E+05 0.18853144E+01 0.11529584E+01 0.28040214E-01-0.15072153E-04 3 0.15905842E-08 0.84930371E-12-0.10417694E+05 0.21453279E+02-0.89572567E+04 4 ! data c7-pah nC6H14 1/14/95 tHermC 6H 14 0 0g 300.000 5000.000 1390.00 51 1.89634117e+01 3.04480204e-02-1.03794829e-05 1.60775457e-09-9.31269728e-14 2 -3.01628739e+04-7.62839355e+01-9.69606179e-01 7.29085608e-02-4.38853919e-05 3 1.32312807e-08-1.58437423e-12-2.27803862e+04 3.23069798e+01 4 C6H13-1 1/14/95 tHermC 6H 13 0 0g 300.000 5000.000 1397.00 51 1.85219223e+01 2.82755903e-02-9.62785872e-06 1.49000931e-09-8.62480621e-14 2 -5.00124444e+03-7.06345855e+01-7.62937152e-01 7.18105209e-02-4.71329725e-05 3 1.62249790e-08-2.32087543e-12 1.89021556e+03 3.35439856e+01 4 C6H13-2 1/14/95 tHermC 6H 13 0 0g 300.000 5000.000 1380.00 51 1.83687363e+01 2.80268110e-02-9.47032396e-06 1.45888527e-09-8.42002461e-14 2 -6.46093974e+03-6.90934018e+01 2.29560154e-01 6.33327323e-02-3.24135431e-05 3 6.46387687e-09-9.61420424e-14 5.25639155e+02 3.08006138e+01 4 C6H13-3 1/14/95 tHermC 6H 13 0 0g 300.000 5000.000 1380.00 51 1.83687363e+01 2.80268110e-02-9.47032396e-06 1.45888527e-09-8.42002461e-14 2 -6.46093974e+03-6.90934018e+01 2.29560154e-01 6.33327323e-02-3.24135431e-05 3 6.46387687e-09-9.61420424e-14 5.25639155e+02 3.08006138e+01 4 C6H12-1 2/14/95 C 6H 12 0 0g 300.000 5000.000 1392.00 41 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2 -1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3 1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4 C6H12-2 2/14/95 C 6H 12 0 0g 300.000 5000.000 1390.00 41 1.73616148e+01 2.71634902e-02-9.25249439e-06 1.43247725e-09-8.29472521e-14 2 -1.55509547e+04-6.61857343e+01-8.37810520e-01 6.64334712e-02-4.08801772e-05 3 1.27558015e-08-1.60665165e-12-8.86347329e+03 3.27785200e+01 4 C6H12-3 2/14/95 C 6H 12 0 0g 300.000 5000.000 1392.00 41 1.74392115e+01 2.72012909e-02-9.28739405e-06 1.44011755e-09-8.34782517e-14 2 -1.55311520e+04-6.72316177e+01-1.74471739e+00 7.02087492e-02-4.60836866e-05 3 1.58225609e-08-2.26113570e-12-8.63510107e+03 3.65273503e+01 4 C6H11 2/14/95 C 6H 11 0 0g 300.000 5000.000 1388.00 41 1.73781063e+01 2.52715626e-02-8.74710351e-06 1.36884407e-09-7.98569285e-14 2 1.33730775e+03-6.77269441e+01-1.78981302e+00 6.71660911e-02-4.34180588e-05 3 1.43931014e-08-1.96953043e-12 8.35230470e+03 3.63570478e+01 4 nC7H16 2/10/95 C 7H 16 0 0g 300.000 5000.000 1391.000 61 2.22148969e+01 3.47675750e-02-1.18407129e-05 1.83298478e-09-1.06130266e-13 2 -3.42760081e+04-9.23040196e+01-1.26836187e+00 8.54355820e-02-5.25346786e-05 3 1.62945721e-08-2.02394925e-12-2.56586565e+04 3.53732912e+01 4 C5H9 1/14/99 tHermC 5H 9 0 0g 300.000 5000.000 1392.000 21 1.41860454e+01 2.07128899e-02-7.06960617e-06 1.09607133e-09-6.35322208e-14 2 7.00496135e+03-5.14501773e+01-1.38013950e+00 5.57608487e-02-3.70143928e-05 3 1.26883901e-08-1.78538835e-12 1.25589824e+04 3.26441304e+01 4 C5H10-1 2/14/95 tHermC 5H 10 0 0g 300.000 5000.000 1392.000 31 1.45851539e+01 2.24072471e-02-7.63348025e-06 1.18188966e-09-6.84385139e-14 2 -1.00898205e+04-5.23683936e+01-1.06223481e+00 5.74218294e-02-3.74486890e-05 3 1.27364989e-08-1.79609789e-12-4.46546666e+03 3.22739790e+01 4 C5H10-2 2/14/95 tHermC 5H 10 0 0g 300.000 5000.000 1389.000 31 1.41109267e+01 2.28348272e-02-7.78626835e-06 1.20627491e-09-6.98795983e-14 2 -1.14336507e+04-5.01601163e+01-5.41560551e-01 5.39629918e-02-3.23508738e-05 3 9.77416037e-09-1.18534668e-12-5.98606169e+03 2.97142748e+01 4 C3H5O 7/20/95 tHermC 3H 5O 1 0g 300.000 5000.000 1380.000 11 1.02551752e+01 1.14983720e-02-3.84645659e-06 5.88910346e-10-3.38557923e-14 2 6.26560810e+03-2.77655042e+01 1.19822582e+00 3.05579837e-02-1.80630276e-05 3 4.86150033e-09-4.19854562e-13 9.58217784e+03 2.15566221e+01 4 C5H11-1 1/14/95 tHermC 5H 11 0 0g 300.000 5000.000 1397.000 41 1.53234740e+01 2.39041200e-02-8.14771619e-06 1.26176236e-09-7.30677335e-14 2 -9.23241637e+02-5.49528859e+01-9.05255912e-01 6.10632852e-02-4.09491825e-05 3 1.46093470e-08-2.18859615e-12 4.83995303e+03 3.25574963e+01 4 cor- EST C 24H 11 0 0G 300.00 3000.00 1000.00 1 0.20404872E+02 0.10846371E+00-0.61823379E-04 0.16705503E-07-0.17393679E-11 2 0.55594810E+05-0.92015405E+02-0.22856373E+02 0.25610824E+00-0.24783132E-03 3 0.11883278E-06-0.22241986E-10 0.65605142E+05 0.12326536E+03 4 corC2H EST C 26H 12 0 0G 300.00 3000.00 1000.00 1 0.24937643E+02 0.11239000E+00-0.63100910E-04 0.16824733E-07-0.17310443E-11 2 0.51679783E+05-0.11456585E+03-0.24183814E+02 0.28632916E+00-0.29543184E-03 3 0.15615494E-06-0.33548024E-10 0.62806148E+05 0.12849031E+03 4 corC2H* EST C 26H 11 0 0G 300.00 3000.00 1000.00 1 0.24865970E+02 0.10982779E+00-0.62294418E-04 0.16765802E-07-0.17400437E-11 2 0.81303128E+05-0.11376640E+03-0.17279019E+02 0.24632444E+00-0.21968411E-03 3 0.90635207E-07-0.12571412E-10 0.91361947E+05 0.97643778E+02 4 corC2H)2 EST C 28H 12 0 0G 300.00 3000.00 1000.00 1 0.28690919E+02 0.11540970E+00-0.65027394E-04 0.17440801E-07-0.18078299E-11 2 0.77582578E+05-0.13261226E+03-0.23901875E+02 0.30656809E+00-0.32827577E-03 3 0.18083354E-06-0.40517798E-10 0.89239441E+05 0.12636493E+03 4 cor1 EST C 28H 14 0 0G 300.00 3000.00 1000.00 1 0.17461274E+02 0.14604215E+00-0.87827865E-04 0.25170613E-07-0.27779650E-11 2 0.33996224E+05-0.77786703E+02-0.25159209E+02 0.29232327E+00-0.26845433E-03 3 0.11806211E-06-0.18703637E-10 0.43647227E+05 0.13367486E+03 4 cor1- EST C 28H 13 0 0G 300.00 3000.00 1000.00 1 0.21483640E+02 0.13265372E+00-0.76878478E-04 0.21122017E-07-0.22336353E-11 2 0.62406917E+05-0.98397727E+02-0.24391408E+02 0.28859080E+00-0.26968848E-03 3 0.12243096E-06-0.20794617E-10 0.72968384E+05 0.12983439E+03 4 cor2 EST C 30H 14 0 0G 300.00 3000.00 1000.00 1 0.21053316E+02 0.14902161E+00-0.89322695E-04 0.25509986E-07-0.28063832E-11 2 0.35799287E+05-0.98257936E+02-0.29752274E+02 0.32565049E+00-0.31478274E-03 3 0.14976580E-06-0.27425441E-10 0.47303644E+05 0.15353195E+03 4 cor2- EST C 30H 13 0 0G 300.00 3000.00 1000.00 1 0.25075681E+02 0.13563319E+00-0.78373309E-04 0.21461390E-07-0.22620535E-11 2 0.62262321E+05-0.11886896E+03-0.28984473E+02 0.32191802E+00-0.31601688E-03 3 0.15413465E-06-0.29516421E-10 0.74677141E+05 0.14969148E+03 4 oval EST C 32H 14 0 0G 300.00 3000.00 1000.00 1 0.24645357E+02 0.15200108E+00-0.90817526E-04 0.25849360E-07-0.28348014E-11 2 0.35654690E+05-0.11872917E+03-0.34345338E+02 0.35897771E+00-0.36111115E-03 3 0.18146949E-06-0.36147244E-10 0.49012400E+05 0.17338903E+03 4 corCH3 EST C 25H 14 0 0G 300.00 3000.00 1000.00 1 0.89701991E+02-0.44469164E-01 0.69128296E-04-0.27878613E-07 0.35907053E-11 2 -0.71539022E+03-0.45908901E+03-0.41315984E+02 0.45066567E+00-0.81211072E-03 3 0.77326681E-06-0.28043256E-09 0.32999803E+05 0.19539311E+03 4 corCH3* EST C 25H 13 0 0G 300.00 3000.00 1000.00 1 0.86838308E+02-0.40517637E-01 0.64595023E-04-0.26096538E-07 0.33545413E-11 2 0.30497155E+05-0.44074833E+03-0.39569351E+02 0.43934210E+00-0.79272952E-03 3 0.75460398E-06-0.27347351E-09 0.62940276E+05 0.19022089E+03 4 PYRENECH3 EST C 17H 12 0 0G 300.00 3000.00 1000.00 1 -0.61940699E+01 0.12943858E+00-0.75554672E-04 0.19037857E-07-0.17226055E-11 2 0.21087241E+05 0.54888046E+02-0.37723629E+01 0.13185495E+00-0.90192604E-04 3 0.31377787E-07-0.42626787E-11 0.19759692E+05 0.39583792E+02 4 PYRENECH3* C 17H 11 0 0G 300.00 3000.00 1000.00 1 0.24239989E+01 0.10670821E+00-0.58450972E-04 0.13441545E-07-0.10568421E-11 2 0.48611632E+05 0.12721441E+02-0.34558873E+01 0.13276602E+00-0.10615698E-03 3 0.54199677E-07-0.14286889E-10 0.49821093E+05 0.40854918E+02 4 BAPYRC6H5 EST C 26H 16 0 0G 300.00 3000.00 1000.00 1 0.98083313E+01 0.15497288E+00-0.90966823E-04 0.25028117E-07-0.26284914E-11 2 0.36172910E+05-0.30931420E+02-0.77442003E+01 0.20742785E+00-0.14867278E-03 3 0.53285233E-07-0.80820924E-11 0.40759715E+05 0.58659537E+02 4 BAPYRC6)2 EST C 26H 14 0 0G 300.00 3000.00 1000.00 1 0.20299255E+02 0.12676776E+00-0.71615579E-04 0.19220409E-07-0.19904384E-11 2 0.29993582E+05-0.91099250E+02-0.21251108E+02 0.26435406E+00-0.23672830E-03 3 0.10288843E-06-0.16581665E-10 0.39789613E+05 0.11664903E+03 4 BAPYRC6)2* C 26H 13 0 0G 300.00 3000.00 1000.00 1 0.21388710E+02 0.12139126E+00-0.68435845E-04 0.18325344E-07-0.18945043E-11 2 0.59225819E+05-0.96527385E+02-0.20106993E+02 0.25804342E+00-0.23194356E-03 3 0.10136712E-06-0.16585021E-10 0.69075675E+05 0.11120852E+03 4 BAPYRC6)3 EST C 28H 14 0 0G 300.00 3000.00 1000.00 1 0.23902480E+02 0.12972223E+00-0.73090488E-04 0.19553044E-07-0.20180359E-11 2 0.30947075E+05-0.11164650E+03-0.25909006E+02 0.29806980E+00-0.28389313E-03 3 0.13536155E-06-0.25559984E-10 0.42608584E+05 0.13677545E+03 4 BAPYRC6)3* C 28H 13 0 0G 300.00 3000.00 1000.00 1 0.24991935E+02 0.12434573E+00-0.69910754E-04 0.18657979E-07-0.19221018E-11 2 0.60159181E+05-0.11707464E+03-0.24764891E+02 0.29175916E+00-0.27910839E-03 3 0.13384024E-06-0.25563341E-10 0.71874515E+05 0.13133494E+03 4 BAPYRC6)4 EST C 30H 14 0 0G 300.00 3000.00 1000.00 1 0.27494522E+02 0.13270169E+00-0.74585318E-04 0.19892418E-07-0.20464540E-11 2 0.30802478E+05-0.13213283E+03-0.30502070E+02 0.33139702E+00-0.33022154E-03 3 0.16706523E-06-0.34281788E-10 0.44317341E+05 0.15661744E+03 4 BAPYRC6)4* C 30H 13 0 0G 300.00 3000.00 1000.00 1 0.28583976E+02 0.12732519E+00-0.71405584E-04 0.18997353E-07-0.19505199E-11 2 0.60034715E+05-0.13756097E+03-0.29357956E+02 0.32508638E+00-0.32543679E-03 3 0.16554393E-06-0.34285144E-10 0.73603403E+05 0.15117693E+03 4 CHRYSENC6H5 C 24H 16 0 0G 300.00 3000.00 1000.00 1 0.27483460E+01 0.16020317E+00-0.96324446E-04 0.27091928E-07-0.29010517E-11 2 0.36502827E+05 0.83214924E+01 0.67662493E+01 0.97134570E-01 0.10152415E-03 3 -0.19547107E-06 0.80864051E-10 0.36957422E+05-0.20425049E+01 4 CHRYSENC6)2 C 24H 14 0 0G 300.00 3000.00 1000.00 1 0.16684848E+02 0.12383830E+00-0.70160590E-04 0.18894512E-07-0.19636615E-11 2 0.29044163E+05-0.70491079E+02-0.16528377E+02 0.23024978E+00-0.18872705E-03 3 0.69645882E-07-0.73468299E-11 0.36962591E+05 0.96238166E+02 4 CHRYSENC6)2* C 24H 13 0 0G 300.00 3000.00 1000.00 1 0.17289351E+02 0.11954518E+00-0.67843653E-04 0.18291172E-07-0.19032454E-11 2 0.58433120E+05-0.73318478E+02-0.15764843E+02 0.22676906E+00-0.19095328E-03 3 0.75055586E-07-0.97277112E-11 0.66285710E+05 0.92377394E+02 4 A3C6H5 EST C 20H 14 0 0G 300.00 3000.00 1000.00 1 -0.19705322E+01 0.14508496E+00-0.89389124E-04 0.25711860E-07-0.28078291E-11 2 0.31928340E+05 0.33850456E+02 0.25100397E+01 0.95771253E-01 0.65174807E-04 3 -0.15339716E-06 0.66570400E-10 0.31484922E+05 0.17289956E+02 4 cor1C2H EST C 30H 14 0 0G 300.00 3000.00 1000.00 1 0.20081236E+02 0.15064199E+00-0.90350283E-04 0.25790299E-07-0.28342720E-11 2 0.53285424E+05-0.89330742E+02-0.23340312E+02 0.30111180E+00-0.27144974E-03 3 0.11026596E-06-0.13258744E-10 0.62804529E+05 0.12514216E+03 4 cor2C2H EST C 32H 14 0 0G 300.00 3000.00 1000.00 1 0.26802648E+02 0.14750702E+00-0.87500753E-04 0.24794879E-07-0.27126415E-11 2 0.57458422E+05-0.12703020E+03-0.30620514E+02 0.35474509E+00-0.37126798E-03 3 0.20030778E-06-0.44273222E-10 0.70285517E+05 0.15616634E+03 4 C4H71-3 EST C 4H 7 0 0G 300.00 1500.00 1000.00 1 0.17718518E+02 0.16695023E-03 0.66955517E-05-0.25675677E-08 0.26400621E-12 2 0.79077842E+04-0.70082770E+02-0.38258273E+01 0.67304341E-01-0.90748503E-04 3 0.77085749E-07-0.27538302E-10 0.14011918E+05 0.40724400E+02 4 C4H71-4 EST C 4H 7 0 0G 300.00 1500.00 1000.00 1 0.26705059E+02-0.17615551E-01 0.17925398E-04-0.53371485E-08 0.49661005E-12 2 0.14148511E+05-0.11653153E+03-0.87192904E+01 0.10414972E+00-0.19022017E-03 3 0.18735556E-06-0.70391454E-10 0.24076515E+05 0.63969827E+02 4 C4H72 EST C 4H 7 0 0G 300.00 1500.00 1000.00 1 0.18480688E+02-0.23347196E-02 0.87082843E-05-0.31291949E-08 0.31461622E-12 2 0.88905416E+04-0.74106125E+02-0.32617845E+01 0.64791055E-01-0.89806784E-04 3 0.79493510E-07-0.29176322E-10 0.15150995E+05 0.38049149E+02 4 C5H91-3 EST C 5H 9 0 0G 300.00 1500.00 1000.00 1 0.22099898E+02 0.11742591E-02 0.80040455E-05-0.31491193E-08 0.32650807E-12 2 0.35559154E+04-0.91739591E+02-0.47256610E+01 0.84550953E-01-0.11235222E-03 3 0.94735574E-07-0.33753050E-10 0.11156622E+05 0.46257905E+02 4 C5H91-4 EST C 5H 9 0 0G 300.00 1500.00 1000.00 1 0.19070265E+02 0.60940274E-02 0.46368010E-05-0.22578578E-08 0.24843480E-12 2 0.12571391E+05-0.71656938E+02-0.17296583E+01 0.62292340E-01-0.60398426E-04 3 0.42417350E-07-0.14789936E-10 0.18789439E+05 0.37210997E+02 4 C5H91-5 EST C 5H 9 0 0G 300.00 1500.00 1000.00 1 0.22196091E+02 0.49751299E-03 0.80805708E-05-0.30982646E-08 0.31853616E-12 2 0.13196296E+05-0.89139646E+02-0.27094414E+01 0.69370911E-01-0.75160620E-04 3 0.56386053E-07-0.19892457E-10 0.20583312E+05 0.40873519E+02 4 C6H111-3 EST C 6H 11 0 0G 300.00 1500.00 1000.00 1 0.31130624E+02-0.10030123E-01 0.20549465E-04-0.78070772E-08 0.80026873E-12 2 -0.20814396E+04-0.13753932E+03-0.53539415E+01 0.10004248E+00-0.13011653E-03 3 0.10924538E-06-0.39174226E-10 0.83206099E+04 0.50723673E+02 4 C6H111-4 EST C 6H 11 0 0G 300.00 1500.00 1000.00 1 0.30226704E+02-0.95679631E-02 0.20312909E-04-0.77417682E-08 0.79441815E-12 2 0.61403394E+04-0.12898241E+03-0.38929512E+01 0.89120461E-01-0.10715517E-03 3 0.87607733E-07-0.31655775E-10 0.16057805E+05 0.48082814E+02 4 C6H111-5 EST C 6H 11 0 0G 300.00 1500.00 1000.00 1 0.30226704E+02-0.95679631E-02 0.20312909E-04-0.77417682E-08 0.79441815E-12 2 0.61403394E+04-0.12898241E+03-0.38929512E+01 0.89120461E-01-0.10715517E-03 3 0.87607733E-07-0.31655775E-10 0.16057805E+05 0.48082814E+02 4 C6H111-6 EST C 6H 11 0 0G 300.00 1500.00 1000.00 1 0.30298880E+02-0.88300068E-02 0.19374479E-04-0.74364649E-08 0.76487554E-12 2 0.78248841E+04-0.13000396E+03-0.37118500E+01 0.87405286E-01-0.98886725E-04 3 0.76422989E-07-0.27057935E-10 0.17738069E+05 0.46831705E+02 4 CH2C4H7 EST C 5H 9 0 0G 300.00 1500.00 1000.00 1 0.21042838E+02 0.22945841E-02 0.69830152E-05-0.28286005E-08 0.29597424E-12 2 0.12067983E+05-0.83257593E+02-0.21008672E+01 0.64985711E-01-0.67375895E-04 3 0.50390662E-07-0.18111799E-10 0.19029168E+05 0.37963979E+02 4 CH2C5H9 EST C 6H 11 0 0G 300.00 1500.00 1000.00 1 0.29768669E+02-0.82916757E-02 0.19206292E-04-0.74195448E-08 0.76476074E-12 2 0.66360052E+04-0.12731970E+03-0.37436727E+01 0.84969493E-01-0.91568150E-04 3 0.68395199E-07-0.24024368E-10 0.16446716E+05 0.47227107E+02 4 H2CN 41687H 2C 1N 1 G 300.00 4000.000 1000.000 1 0.52097030E+01 0.29692911E-02-0.28555891E-06-0.16355500E-09 0.30432589E-13 2 0.27677109E+05-0.44444780E+01 0.28516610E+01 0.56952331E-02 0.10711400E-05 3 -0.16226120E-08-0.23511081E-12 0.28637820E+05 0.89927511E+01 4 HCN GRI/98H 1C 1N 1 G 200.000 6000.000 1000.000 1 0.38022392E+01 0.31464228E-02-0.10632185E-05 0.16619757E-09-0.97997570E-14 2 0.14407292E+05 0.15754601E+01 0.22589886E+01 0.10051170E-01-0.13351763E-04 3 0.10092349E-07-0.30089028E-11 0.14712633E+05 0.89164419E+01 4 HNO And93 H 1N 1O 1 G 200.000 6000.000 1000.000 1 0.29792509E+01 0.34944059E-02-0.78549778E-06 0.57479594E-10-0.19335916E-15 2 0.11750582E+05 0.86063728E+01 0.45334916E+01-0.56696171E-02 0.18473207E-04 3 -0.17137094E-07 0.55454573E-11 0.11548297E+05 0.17498417E+01 4 N L 6/88N 1 G 200.000 6000.000 1000.000 1 0.24159429E+01 0.17489065E-03-0.11902369E-06 0.30226245E-10-0.20360982E-14 2 0.56133773E+05 0.46496096E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.56104637E+05 0.41939087E+01 4 NNH T07/93N 2H 1 G 200.000 6000.000 1000.000 1 0.37667544E+01 0.28915082E-02-0.10416620E-05 0.16842594E-09-0.10091896E-13 2 0.28650697E+05 0.44705067E+01 0.43446927E+01-0.48497072E-02 0.20059459E-04 3 -0.21726464E-07 0.79469539E-11 0.28791973E+05 0.29779410E+01 4 N2O L 7/88N 2O 1 G 200.000 6000.000 1000.000 1 0.48230729E+01 0.26270251E-02-0.95850874E-06 0.16000712E-09-0.97752303E-14 2 0.80734048E+04-0.22017207E+01 0.22571502E+01 0.11304728E-01-0.13671319E-04 3 0.96819806E-08-0.29307182E-11 0.87417744E+04 0.10757992E+02 4 NH And94 N 1H 1 G 200.000 6000.000 1000.000 1 0.27836928E+01 0.13298430E-02-0.42478047E-06 0.78348501E-10-0.55044470E-14 2 0.42120848E+05 0.57407799E+01 0.34929085E+01 0.31179198E-03-0.14890484E-05 3 0.24816442E-08-0.10356967E-11 0.41880629E+05 0.18483278E+01 4 NH2 And89 N 1H 2 G 200.000 6000.000 1000.000 1 0.28347421E+01 0.32073082E-02-0.93390804E-06 0.13702953E-09-0.79206144E-14 2 0.22171957E+05 0.65204163E+01 0.42040029E+01-0.21061385E-02 0.71068348E-05 3 -0.56115197E-08 0.16440717E-11 0.21885910E+05-0.14184248E+00 4 NH3 J 6/77N 1H 3 G 200.000 6000.000 1000.000 1 0.26344521E+01 0.56662560E-02-0.17278676E-05 0.23867161E-09-0.12578786E-13 2 -0.65446958E+04 0.65662928E+01 0.42860274E+01-0.46605230E-02 0.21718513E-04 3 -0.22808887E-07 0.82638046E-11-0.67417285E+04-0.62537277E+00 4 NO RUS 78N 1O 1 G 200.000 6000.000 1000.000 1 0.32606056E+01 0.11911043E-02-0.42917048E-06 0.69457669E-10-0.40336099E-14 2 0.99209746E+04 0.63693027E+01 0.42184763E+01-0.46389760E-02 0.11041022E-04 3 -0.93361354E-08 0.28035770E-11 0.98446230E+04 0.22808464E+01 4 NO2 L 7/88N 1O 2 G 200.000 6000.000 1000.000 1 0.48847542E+01 0.21723956E-02-0.82806906E-06 0.15747510E-09-0.10510895E-13 2 0.23164983E+04-0.11741695E+00 0.39440312E+01-0.15854290E-02 0.16657812E-04 3 -0.20475426E-07 0.78350564E-11 0.28966179E+04 0.63119917E+01 4 HCNO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1382.000 1 6.59860456E+00 3.02778626E-03-1.07704346E-06 1.71666528E-10-1.01439391E-14 2 1.79661339E+04-1.03306599E+01 2.64727989E+00 1.27505342E-02-1.04794236E-05 3 4.41432836E-09-7.57521466E-13 1.92990252E+04 1.07332972E+01 4 HOCN BDEA94H 1N 1C 1O 1G 300.000 5000.000 1368.000 1 5.89784885E+00 3.16789393E-03-1.11801064E-06 1.77243144E-10-1.04339177E-14 2 -3.70653331E+03-6.18167825E+00 3.78604952E+00 6.88667922E-03-3.21487864E-06 3 5.17195767E-10 1.19360788E-14-2.82698400E+03 5.63292162E+00 4 HNCO BDEA94H 1N 1C 1O 1G 300.000 5000.000 1478.000 1 6.22395134E+00 3.17864004E-03-1.09378755E-06 1.70735163E-10-9.95021955E-15 2 -1.66599344E+04-8.38224741E+00 3.63096317E+00 7.30282357E-03-2.28050003E-06 3 -6.61271298E-10 3.62235752E-13-1.55873636E+04 6.19457727E+00 4 NCO EA 93 N 1C 1O 1 G 200.000 6000.000 1000.000 1 0.51521845E+01 0.23051761E-02-0.88033153E-06 0.14789098E-09-0.90977996E-14 2 0.14004123E+05-0.25442660E+01 0.28269308E+01 0.88051688E-02-0.83866134E-05 3 0.48016964E-08-0.13313595E-11 0.14682477E+05 0.95504646E+01 4 CN HBH92 C 1N 1 G 200.000 6000.000 1000.000 1 0.37459805E+01 0.43450775E-04 0.29705984E-06-0.68651806E-10 0.44134173E-14 2 0.51536188E+05 0.27867601E+01 0.36129351E+01-0.95551327E-03 0.21442977E-05 3 -0.31516323E-09-0.46430356E-12 0.51708340E+05 0.39804995E+01 4 HCNN SRI/94C 1N 2H 1 G 300.000 5000.000 1000.000 1 0.58946362E+01 0.39895959E-02-0.15982380E-05 0.29249395E-09-0.20094686E-13 2 0.53452941E+05-0.51030502E+01 0.25243194E+01 0.15960619E-01-0.18816354E-04 3 0.12125540E-07-0.32357378E-11 0.54261984E+05 0.11675870E+02 4 HNO2 103190H 1N 1O 2 G 0300.00 4000.00 1500.00 1 0.06479629E+02 0.01995274E-01-0.01740386E-05-0.09695872E-09 0.01701479E-12 2 -0.09999271E+05-0.10672857E+02 0.01934838E+02 0.10100361E-01-0.04964616E-04 3 0.08701121E-08-0.02324135E-13-0.08105484E+05 0.14732500E+02 4 HNO3 121286H 1N 1O 3 G 0300.00 5000.00 1000.00 1 0.07003844E+02 0.05811493E-01-0.02333788E-04 0.04288814E-08-0.02959385E-12 2 -0.01889952E+06-0.10478628E+02 0.13531850E+01 0.02220024E+00-0.01978811E-03 3 0.08773908E-07-0.16583844E-11-0.01738562E+06 0.01851868E+03 4 NO3 121286N 1O 3 G 0300.00 5000.00 1000.00 1 0.07120307E+02 0.03246228E-01-0.14316134E-05 0.02797053E-08-0.02013007E-12 2 0.05864479E+05-0.12137301E+02 0.12210763E+01 0.01878797E+00-0.13443212E-04 3 0.12746013E-08 0.13540601E-11 0.07473144E+05 0.01840202E+03 4 N2O4 121286N 2O 4 G 0300.00 5000.00 1000.00 1 0.10482201E+02 0.05972272E-01-0.02564043E-04 0.04916885E-08-0.03490969E-12 2 -0.02849988E+05-0.02612289E+03 0.03624592E+02 0.02474708E+00-0.02172874E-03 3 0.09927103E-07-0.02222817E-10-0.09128241E+04 0.09457174E+02 4 CH3ONO 103190C 1H 3N 1O 2G 0300.00 4000.00 1500.00 1 0.11361289E+02 0.04159349E-01-0.04145670E-05-0.01695140E-08 0.03028732E-12 2 -0.12814815E+05-0.03545434E+03 0.14903451E+01 0.02645433E+00-0.02112331E-03 3 0.09414399E-07-0.01811204E-10-0.09125782E+05 0.01813766E+03 4 CH3ONO2 103190C 1H 3N 1O 3G 0300.00 4000.00 1500.00 1 0.14361885E+02 0.04112243E-01-0.05113052E-05-0.14964364E-09 0.03012156E-12 2 -0.01972440E+06-0.05131841E+03 0.07803354E+01 0.03454203E+00-0.02822327E-03 3 0.12323244E-07-0.02302164E-10-0.14653465E+05 0.02245751E+03 4 CH3NO 103190C 1H 3N 1O 1G 0300.00 4000.00 1500.00 1 0.08820547E+02 0.03706233E-01-0.02894740E-05-0.01897910E-08 0.03237544E-12 2 0.05362862E+05-0.02213220E+03 0.02109955E+02 0.15178216E-01-0.07071789E-04 3 0.15106108E-08-0.16042035E-12 0.08293612E+05 0.15697023E+02 4 CH3NO2 103190C 1H 3N 1O 2G 0300.00 4000.00 1500.00 1 0.10901579E+02 0.04326381E-01-0.04203547E-05-0.01893070E-08 0.03417444E-12 2 -0.13708618E+05-0.03073183E+03 0.03224716E+01 0.02665146E+00-0.01930573E-03 3 0.07762620E-07-0.13987461E-11-0.09597527E+05 0.02726156E+03 4 CH2NO2 RADICAL T04/98C 1H 2N 1O 2G 200.000 6000.000 1000. 1 !Burcat 7.67214886E+00 7.04674142E-03-2.55301211E-06 4.14646979E-10-2.49316782E-14 2 1.52307521E+04-1.22510821E+01 2.46754293E+00 1.56130407E-02 4.71686464E-06 3 -2.05123642E-08 1.02705094E-11 1.69015807E+04 1.59016345E+01 1.83372153E+04 4 ENDOFDATA