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12H 10 0 0G 300.000 5000.000 1394.000 1 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 A2C2H5 T 7/98C 12H 12 0 0G 200.000 6000.000 1 2.53697727E+01 4.04594180E-02-1.49784208E-05 2.46402471E-09-1.49382751E-13 2 -8.20299732E+02-1.14459910E+02 1.98405802E-02 6.20844325E-02 7.79624479E-05 3 -1.55438421E-07 6.85371120E-11 8.47514808E+03 2.80182938E+01 1.16544980E+04 4 A2C6H4-1 HR04/00 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 1 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 A2C6H4-2 HR12/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 1 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 A2C6H5-2 HR 8/99 BLYP C 16H 12 0 0G 300.000 5000.000 1397.000 1 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 A2CH2-1 HR 6/99 BLYP C 11H 9 0 0G 300.000 5000.000 1393.000 1 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 1 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 1 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 1 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 A2R5 H6W/94C 12H 8 0 0G 300.000 3000.000 1 0.45883698E+02-0.27226903E-01 0.41569336E-04-0.18047093E-07 0.25351396E-11 2 0.13394574E+05-0.22304584E+03-0.97011614E+01 0.12019449E+00-0.98907694E-04 3 0.37240884E-07-0.41124578E-11 0.29601926E+05 0.66970596E+02 4 A2R5-1 TB 1/99 BLYP C 12H 7 0 0G 300.000 5000.000 1402.000 1 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 1 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 1 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 1 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 A2R5E-1 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 1 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 A2R5E-3 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 1 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 A2R5E-4 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1401.000 1 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 A2R5E-5 HR 7/99 BLYP C 14H 8 0 0G 300.000 5000.000 1402.000 1 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 A2R5E12 HR 7/99 BLYP C 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1.29404033E-01-1.18784303E-04 3 5.42365974E-08-9.73841861E-12 8.63194759E+04 5.37863099E+01 4 A2R5E54 HR 7/99 BLYP C 14H 7 0 0G 300.000 5000.000 1404.000 1 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 A2R5H2 HR 4/99 BLYP C 12H 10 0 0G 300.000 5000.000 1399.000 1 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 A2T1 HR12/99 BLYP C 10H 6 0 0G 300.000 5000.000 1401.000 1 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 1 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 A3 T 1/94C 14H 10 0 0G 200.000 6000.000 1000. 1 0.26602474E+02 0.39769744E-01-0.14572026E-04 0.23843296E-08-0.14409548E-12 2 0.12132838E+05-0.12266672E+03-0.33646717E+01 0.85073271E-01 0.37531110E-04 3 -0.12664499E-06 0.61445705E-10 0.22019878E+05 0.40596218E+02 0.24908263E+05 4 A3-1 HR 6/99BLYP00C 14H 9 0 0G 300.000 5000.000 1401.000 1 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 1 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 A3-4 HR 6/99BLYP00C 14H 9 0 0G 300.000 5000.000 1401.000 1 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 1 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 A3C2H-1 HR 6/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 1 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-1* HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1397.000 1 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 HR 7/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 1 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 A3C2H-2* HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1398.000 1 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 A3C2H-4 H6W/94C 16H 10 0 0G 300.000 3000.000 1 0.52165146E+02-0.13197318E-01 0.34353056E-04-0.16283892E-07 0.23677362E-11 2 0.34235055E+05-0.25406651E+03-0.11602674E+02 0.16824394E+00-0.16432030E-03 3 0.86394380E-07-0.19310567E-10 0.52172836E+05 0.75515366E+02 4 A3C2H2-4 H6W/94C 16H 11 0 0G 300.000 3000.000 1 0.47582428E+02-0.12822752E-02 0.25647692E-04-0.13378838E-07 0.20086545E-11 2 0.46191215E+05-0.22653258E+03-0.95893555E+01 0.15080631E+00-0.11617327E-03 3 0.36814228E-07-0.12802901E-11 0.62701906E+05 0.71309311E+02 4 A3CH2 5/ 3/97 THERMC 15H 11 0 0G 300.000 5000.000 2030.000 1 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 1 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 1 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 A3L HR 6/99 BLYP C 14H 10 0 0G 300.000 5000.000 1401.000 1 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 A3L-1 HR 6/99 BLYP C 14H 9 0 0G 300.000 5000.000 1402.000 1 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 1 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 1 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 A3LE-1 HR 7/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 1 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 A3LE-1P HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1398.000 1 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 A3LE-2 HR 7/99 BLYP C 16H 10 0 0G 300.000 5000.000 1400.000 1 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 A3LE-2P HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1399.000 1 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 A3LE-2S HR BLYP-THERMC 16H 9 0 0G 300.000 5000.000 1399.000 1 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 A3LR5 HR04/00 BLYP C 16H 10 0 0G 300.000 5000.000 1400.000 1 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 A3LR5* MM300-THERM C 16H 9 0 0G 300.000 5000.000 1394.000 1 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 A3R5 HR 4/99 BLYP C 16H 10 0 0G 300.000 5000.000 1402.000 1 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 A3R5-10* HR 11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 1 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 A3R5-7* HR 11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1402.000 1 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 A4 H6W/94C 16H 10 0 0G 300.000 3000.000 1 0.58017273E+02-0.29164989E-01 0.48728383E-04-0.21593682E-07 0.30609786E-11 2 0.43451016E+04-0.29017163E+03-0.13759249E+02 0.16772294E+00-0.15500121E-03 3 0.75759544E-07-0.15674045E-10 0.24996187E+05 0.82853027E+02 4 A4-1 HR11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 1 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 A4-2 HR11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1401.000 1 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 A4-4 HR11/99 BLYP C 16H 9 0 0G 300.000 5000.000 1402.000 1 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 A4C2H-1 6/18/99 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 1 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 A4C2H-1* 6/18/99 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 1 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 A4C2H-2 6/18/99 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 1 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 A4C2H-2* 6/18/99 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 1 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 A4C2H-4 6/18/99 THERMC 18H 10 0 0G 300.000 5000.000 1380.000 1 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 A4C2H-4* 6/18/99 THERMC 18H 9 0 0G 300.000 5000.000 1376.000 1 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 A4L CJP MM300 C 18H 12 0 0G 300.000 5000.000 1396.000 1 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 A4L* MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 AC3H4 CBS-Q 07/01 C 3H 4 0 0G 300.000 5000.000 1396.000 1 7.36527254E+00 9.62565331E-03-3.26467671E-06 5.03874644E-10-2.91102768E-14 2 1.85982067E+04-1.74288340E+01 6.95812634E-01 2.57913420E-02-1.87039189E-05 3 7.40198202E-09-1.23404173E-12 2.08859781E+04 1.82324932E+01 4 AC3H5 CBS-Q 07/01 C 3H 5 0 0G 300.000 5000.000 1390.000 1 9.04856114E+00 1.06532448E-02-3.69357186E-06 5.78617868E-10-3.37791797E-14 2 1.62212028E+04-2.58282708E+01-1.27471359E-01 3.36805955E-02-2.68238174E-05 3 1.15369146E-08-2.06215538E-12 1.93148012E+04 2.29992251E+01 4 ACH3CH2 Mari C 8H 9 0 0G 300.000 3000.000 1 -0.22855000E+01 0.75605000E-01-0.53218000E-04 0.18678000E-07-0.25282000E-11 2 0.19149540E+05 0.46333500E+02-0.22855000E+01 0.75605000E-01-0.53218000E-04 3 0.18678000E-07-0.25282000E-11 0.19149540E+05 0.46333500E+02 4 ACH3CH3 Mari C 8H 10 0G 300.000 3000.000 1 0.29605000E+01 0.73531000E-01-0.44681000E-04 0.12943000E-07-0.14240000E-11 2 0.10810400E+03 0.51021730E+02-0.29605000E+01 0.73531000E-01-0.44681000E-04 3 0.12943000E-07-0.14240000E-11 0.10810400E+03 0.51021730E+02 4 ANTHAN 4/19/97 THERMC 22H 12 0 0G 300.000 5000.000 1369.000 1 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 BAA3L CJP MM300 C 18H 12 0 0G 300.000 5000.000 1396.000 1 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 BAA3L-1 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 BAA3L-12 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 BAA3L-4 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 BAPYR CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 1 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 BAPYR* MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 1 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 BBFLTHN CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 1 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 BBFLTHN* MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 1 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 BENZNAP 5/ 7/97 THERMC 17H 14 0 0G 300.000 5000.000 1401.000 1 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* 5/ 7/97 THERMC 17H 13 0 0G 300.000 5000.000 1399.000 1 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 BENZYLB 5/ 7/97 THERMC 13H 12 0 0G 300.000 5000.000 1397.000 1 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 BENZYLB* 5/ 7/97 THERMC 13H 11 0 0G 300.000 5000.000 1396.000 1 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 BEPYR CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 1 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 BEPYR* MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 1 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 BGHIF 10/07/93 MM395C 18H 10 0 0G 300.000 5000.000 1392.000 1 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 BGHIF- 10/14/93 MM3CPC 18H 9 0 0G 300.000 5000.000 1392.000 1 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 BGHIPE 4/19/97 THERMC 22H 12 0 0G 300.000 5000.000 1369.000 1 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 BGHIPE* 4/19/97 THERMC 22H 11 0 0G 300.000 5000.000 1365.000 1 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 BIPHEN HR 4/99 BLYP00C 12H 8 0 0G 300.000 5000.000 1401.000 1 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 BIPHENH HR 4/99 BLYP00C 12H 9 0 0G 300.000 5000.000 1402.000 1 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 BKFLTHN CJP MM300 C 20H 12 0 0G 300.000 5000.000 1397.000 1 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 C 121086C 1 G 0300.00 5000.00 1000.00 1 0.02602087E+02-0.01787081E-02 0.09087041E-06-0.11499333E-10 0.03310844E-14 2 0.08542154E+06 0.04195177E+02 0.02498584E+02 0.08085776E-03-0.02697697E-05 3 0.03040729E-08-0.11066518E-12 0.08545878E+06 0.04753459E+02 4 C-C6H12 T 2/90C 6H 12 0 0G 200.000 5000.000 1000. 1 0.10209166E+02 0.41894173E-01-0.17234045E-04 0.32239024E-08-0.22540929E-12 2 -0.21742125E+05-0.38990666E+02 0.40402264E+01-0.61827997E-02 0.17662080E-03 3 -0.22300383E-06 0.86393385E-10-0.16919808E+05 0.85269500E+01-0.14829497E+05 4 C-C6H4 H6W/94C 6H 4 0 0G 300.000 3000.000 1 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4 C-C6H7 H6W/94C 6H 7 0 0G 300.000 3000.000 1 0.19996841E+02 0.11189543E-02 0.11649756E-04-0.62779471E-08 0.94939508E-12 2 0.16730059E+05-0.83746933E+02-0.30328493E+01 0.50804518E-01-0.69150292E-05 3 -0.29715974E-07 0.16296353E-10 0.23895383E+05 0.38909180E+02 4 C10H10 T 7/98C 10H 10 0 0G 200.000 6000.000 1000. 1 1.92211178E+01 3.51247274E-02-1.27719042E-05 2.07903232E-09-1.25191968E-13 2 4.39595221E+03-8.19390283E+01-1.92135165E-01 4.50394780E-02 8.64482370E-05 3 -1.56640588E-07 6.88727900E-11 1.16587583E+04 2.82951960E+01 1.40900666E+04 4 C10H9 T 7/98C 10H 9 0 0G 200.000 6000.000 1000. 1 1.96879334E+01 3.20520257E-02-1.16715110E-05 1.90182471E-09-1.14603906E-13 2 1.80099777E+04-8.29833882E+01-1.21356342E+00 5.48913745E-02 5.55281159E-05 3 -1.24860759E-07 5.75105005E-11 2.52575495E+04 3.28077928E+01 2.76064663E+04 4 C17H12 4/17/97 THERMC 17H 12 0 0G 300.000 5000.000 1405.000 1 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 C2 121286C 2 G 0300.00 5000.00 1000.00 1 0.04135978E+02 0.06531618E-03 0.01837099E-05-0.05295085E-09 0.04712137E-13 2 0.09967272E+06 0.07472923E+01 0.06996045E+02-0.07400601E-01 0.03234703E-04 3 0.04802535E-07-0.03295917E-10 0.09897487E+06-0.13862268E+02 4 C2H 20387C 2H 1 G 0300.00 5000.00 1000.00 1 0.04427688E+02 0.02216268E-01-0.06048952E-05 0.09882517E-09-0.07351179E-13 2 0.06590415E+06-0.11994418E+01 0.03050667E+02 0.06051674E-01-0.04956634E-04 3 0.02804159E-07-0.08193332E-11 0.06630011E+06 0.05954361E+02 4 C2H2 121386C 2H 2 G 0300.00 5000.00 1000.00 1 0.04436770E+02 0.05376039E-01-0.01912816E-04 0.03286379E-08-0.02156709E-12 2 0.02566766E+06-0.02800338E+02 0.02013562E+02 0.15190446E-01-0.16163189E-04 3 0.09078992E-07-0.01912746E-10 0.02612444E+06 0.08805378E+02 4 C2H3 12787C 2H 3 G 0300.00 5000.00 1000.00 1 0.05933468E+02 0.04017745E-01-0.03966739E-05-0.14412666E-09 0.02378643E-12 2 0.03185434E+06-0.08530313E+02 0.02459276E+02 0.07371476E-01 0.02109872E-04 3 -0.13216421E-08-0.11847838E-11 0.03335225E+06 0.11556202E+02 4 C2H4 121286C 2H 4 G 0300.00 5000.00 1000.00 1 0.03528418E+02 0.11485185E-01-0.04418385E-04 0.07844600E-08-0.05266848E-12 2 0.04428288E+05 0.02230389E+02-0.08614880E+01 0.02796162E+00-0.03388677E-03 3 0.02785152E-06-0.09737879E-10 0.05573046E+05 0.02421148E+03 4 C2H5 12387C 2H 5 G 0300.00 5000.00 1000.00 1 0.07190480E+02 0.06484077E-01-0.06428064E-05-0.02347879E-08 0.03880877E-12 2 0.10674549E+05-0.14780892E+02 0.02690701E+02 0.08719133E-01 0.04419838E-04 3 0.09338703E-08-0.03927773E-10 0.12870404E+05 0.12138195E+02 4 C2H6 121686C 2H 6 G 0300.00 4000.00 1000.00 1 0.04825938E+02 0.13840429E-01-0.04557258E-04 0.06724967E-08-0.03598161E-12 2 -0.12717793E+05-0.05239506E+02 0.14625388E+01 0.15494667E-01 0.05780507E-04 3 -0.12578319E-07 0.04586267E-10-0.11239176E+05 0.14432295E+02 4 C3H2 121686C 3H 2 G 0300.00 5000.00 1000.00 1 0.06530853E+02 0.05870316E-01-0.01720776E-04 0.02127498E-08-0.08291910E-13 2 0.05115213E+06-0.11227278E+02 0.02691077E+02 0.14803664E-01-0.03250551E-04 3 -0.08644363E-07 0.05284877E-10 0.05219072E+06 0.08757391E+02 4 C3H3 CBS-Q 07/01 C 3H 3 0 0G 300.000 5000.000 1399.000 1 7.94177928E+00 6.56431205E-03-2.20216433E-06 3.37244600E-10-1.93731594E-14 2 3.81804347E+04-1.71608754E+01 3.12233555E+00 2.05585341E-02-1.84097932E-05 3 8.95184857E-09-1.74881526E-12 3.96247015E+04 7.82530195E+00 4 C3H6 L 4/85C 3H 6 0 0G 300.000 5000.00 1000. 1 0.67213974E+01 0.14931757E-01-0.49652353E-05 0.72510753E-09-0.38001476E-13 2 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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 CH 121286C 1H 1 G 0300.00 5000.00 1000.00 1 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072875E-01-0.05134431E-04 3 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331587E+02 4 CH3 121286C 1H 3 G 0300.00 5000.00 1000.00 1 0.02844051E+02 0.06137974E-01-0.02230345E-04 0.03785161E-08-0.02452159E-12 2 0.16437809E+05 0.05452697E+02 0.02430442E+02 0.11124099E-01-0.01680220E-03 3 0.16218288E-07-0.05864952E-10 0.16423781E+05 0.06789794E+02 4 CH4 121286C 1H 4 G 0300.00 5000.00 1000.00 1 0.01683478E+02 0.10237236E-01-0.03875128E-04 0.06785585E-08-0.04503423E-12 2 -0.10080787E+05 0.09623395E+02 0.07787415E+01 0.01747668E+00-0.02783409E-03 3 0.03049708E-06-0.12239307E-10-0.09825229E+05 0.13722195E+02 4 COR 10/07/93 MM395C 20H 10 0 0G 300.000 5000.000 1392.000 1 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 COR- 10/14/93 MM3CPC 20H 9 0 0G 300.000 5000.000 1392.000 1 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 10/07/93 MM395C 22H 10 0 0G 300.000 5000.000 1392.000 1 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 COR1- 10/14/93 MM3CPC 22H 9 0 0G 300.000 5000.000 1392.000 1 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 10/07/93 MM395C 24H 10 0 0G 300.000 5000.000 1393.000 1 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 COR2- 10/14/93 MM3CPC 24H 9 0 0G 300.000 5000.000 1392.000 1 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 10/07/93 MM395C 26H 10 0 0G 300.000 5000.000 1170.000 1 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 COR3- 10/14/93 MM3CPC 26H 9 0 0G 300.000 5000.000 1169.000 1 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 10/07/93 MM395C 28H 10 0 0G 300.000 5000.000 1172.000 1 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 COR4- 10/14/93 MM3CPC 28H 9 0 0G 300.000 5000.000 1171.000 1 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 CORONEN 4/25/97 THERMC 24H 12 0 0G 300.000 5000.000 1390.000 1 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 CPBFL 7/ 5/97 THERMC 20H 10 0 0G 300.000 5000.000 1400.000 1 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 CPBFL* 7/ 5/97 THERMC 20H 9 0 0G 300.000 5000.000 1399.000 1 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 CPBPER 5/ 3/97 THERMC 24H 12 0 0G 300.000 5000.000 1377.000 1 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 CPCDA4 CJP MM300 C 18H 10 0 0G 300.000 5000.000 1397.000 1 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 CPCDA4* MM300-THERM C 18H 9 0 0G 300.000 5000.000 1395.000 1 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 CPCDFL CJP MM300 C 18H 10 0 0G 300.000 5000.000 1397.000 1 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 CPCDFL* MM300-THERM C 18H 9 0 0G 300.000 5000.000 1396.000 1 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 CRYSN CJP MM300 C 18H 12 0 0G 300.000 5000.000 1396.000 1 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 CRYSN-1 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 CRYSN-4 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 CRYSN-5 MM300-THERM C 18H 11 0 0G 300.000 5000.000 1395.000 1 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 CYC3H4 CBS-Q 07/01 C 3H 4 0 0G 300.000 5000.000 1401.000 1 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 DCPA4 CJP MM300 C 20H 10 0 0G 300.000 5000.000 1397.000 1 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 FLTHN HR 4/99 BLYP C 16H 10 0 0G 300.000 5000.000 1401.000 1 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 FLTHN-1 HR 7/99 BLYP C 16H 9 0 0G 300.000 5000.000 1402.000 1 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 1 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 1 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 H 120186H 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.02547162E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.02547162E+06-0.04601176E+01 4 H2 121286H 2 G 0300.00 5000.00 1000.00 1 0.02991423E+02 0.07000644E-02-0.05633828E-06-0.09231578E-10 0.15827519E-14 2 -0.08350340E+04-0.13551101E+01 0.03298124E+02 0.08249441E-02-0.08143015E-05 3 -0.09475434E-09 0.04134872E-11-0.10125209E+04-0.03294094E+02 4 HA2R5 HR 4/99 BLYP C 12H 9 0 0G 300.000 5000.000 1401.000 1 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 HB 10/07/93 MM395C 30H 10 0 0G 300.000 5000.000 1173.000 1 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 I-A1C2H2 H6W/94C 8H 7 0 0G 300.000 3000.000 1 0.24365524E+02 0.11262144E-02 0.12931670E-04-0.69641146E-08 0.10540145E-11 2 0.33549121E+05-0.10462067E+03-0.25971584E+01 0.63454390E-01-0.20852312E-04 3 -0.22604624E-07 0.15112869E-10 0.41707375E+05 0.37893417E+02 4 I-C3H7 CBS-Q 07/01 C 3H 7 0 0G 300.000 5000.000 1377.000 1 8.06493084E+00 1.57892582E-02-5.38395757E-06 8.34070361E-10-4.83151968E-14 2 6.51731879E+03-1.86712366E+01 1.17930426E+00 2.59038017E-02-7.66503542E-06 3 -1.44983669E-09 8.54637379E-13 9.55364184E+03 2.05067707E+01 4 I-C4H3 AB1/93C 4H 3 0 0G 300.000 3000.000 1 0.90978165E+01 0.92207119E-02-0.33878441E-05 0.49160498E-09-0.14529780E-13 2 0.56600574E+05-0.19802597E+02 0.20830412E+01 0.40834274E-01-0.62159685E-04 3 0.51679358E-07-0.17029184E-10 0.58005129E+05 0.13617462E+02 4 I-C4H5 H6W/94C 4H 5 0 0G 300.000 3000.000 1 0.10229092E+02 0.94850138E-02-0.90406445E-07-0.12596100E-08 0.24781468E-12 2 0.34642812E+05-0.28564529E+02-0.19932900E-01 0.38005672E-01-0.27559450E-04 3 0.77835551E-08 0.40209383E-12 0.37496223E+05 0.24394241E+02 4 I-C4H51 9/21/ 1 C 4H 5 0 0G 300.000 5000.000 1391.000 1 1.01676152E+01 1.19383121E-02-4.06799128E-06 6.29911914E-10-3.64772449E-14 2 3.27733072E+04-2.89339744E+01 1.92302568E+00 3.10977409E-02-2.14629997E-05 3 8.00985782E-09-1.26824902E-12 3.56873928E+04 1.54484285E+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 I-C6H5 H6W/94C 6H 5 0 0G 300.000 3000.000 1 0.22501663E+02-0.81009977E-02 0.15955695E-04-0.72310371E-08 0.10310424E-11 2 0.58473410E+05-0.91224777E+02-0.78585434E+00 0.60221825E-01-0.62890264E-04 3 0.36310730E-07-0.87000259E-11 0.64942270E+05 0.28658905E+02 4 I-C6H7 H6W/94C 6H 7 0 0G 300.000 3000.000 1 0.20481506E+02 0.79439697E-03 0.11450761E-04-0.60991177E-08 0.91756724E-12 2 0.37728426E+05-0.81812073E+02-0.17099094E+01 0.62486034E-01-0.54290707E-04 3 0.26959682E-07-0.58999090E-11 0.44086621E+05 0.33344772E+02 4 INA4 5/ 2/97 THERMC 22H 12 0 0G 300.000 5000.000 1381.000 1 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 L-C5H3 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 L-C5H4 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 L-C5H5 T 4/94C 5H 5 0 0G 298.150 5000.000 1000. 1 0.14889675E+02 0.82161004E-02-0.15178062E-05 0.16268184E-09-0.88052708E-14 2 0.42719249E+05-0.53382883E+02-0.26085299E+01 0.65236909E-01-0.82191379E-04 3 0.60364270E-07-0.19071607E-10 0.47360405E+05 0.35504920E+02 0.48866379E+05 4 L-C5H7 T 2/92C 5H 7 0 0G 298.150 3000.000 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 0.26670483E+05 4 L-C5H8 T 2/92C 5H 8 0 0G 298.150 3000.000 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 0.91585433E+04 4 L-C6H4 H6W/94C 6H 4 0 0G 300.000 3000.000 1 0.12715182E+02 0.13839662E-01-0.43765440E-05 0.31541636E-09 0.46619026E-13 2 0.57031148E+05-0.39464600E+02 0.29590225E+00 0.58053318E-01-0.67766756E-04 3 0.43376762E-07-0.11418864E-10 0.60001371E+05 0.22318970E+02 4 L-C6H6 H6W/94C 6H 6 0 0G 300.000 3000.000 1 0.10874918E+02 0.23293324E-01-0.94495535E-05 0.16255329E-08-0.84771200E-13 2 0.36224055E+05-0.30326756E+02 0.59114441E-01 0.55723339E-01-0.43485274E-04 3 0.14487391E-07-0.52512541E-12 0.39042688E+05 0.24796795E+02 4 N-A1C2H2 H6W/94C 8H 7 0 0G 300.000 3000.000 1 0.30433151E+02-0.13965182E-01 0.25416972E-04-0.11354174E-07 0.16092050E-11 2 0.35738719E+05-0.13416492E+03-0.44899931E+01 0.78750789E-01-0.62376959E-04 3 0.21952140E-07-0.16960955E-11 0.45902949E+05 0.47980759E+02 4 N-C3H7 CBS-Q 07/01 C 3H 7 0 0G 300.000 5000.000 1390.000 1 8.80951978E+00 1.51161465E-02-5.14139767E-06 7.95020689E-10-4.59900230E-14 2 7.82936671E+03-2.22645858E+01 6.05513266E-01 3.22797456E-02-1.86211373E-05 3 5.57081808E-09-6.98356379E-13 1.09391745E+04 2.26064918E+01 4 N-C4H3 H6W/94C 4H 3 0 0G 300.000 3000.000 1 0.54328279E+01 0.16860981E-01-0.94313109E-05 0.25703895E-08-0.27456309E-12 2 0.61600680E+05-0.15673981E+01-0.31684113E+00 0.46912100E-01-0.68093810E-04 3 0.53179921E-07-0.16523005E-10 0.62476199E+05 0.24622559E+02 4 N-C4H5 H6W/94C 4H 5 0 0G 300.000 3000.000 1 0.98501978E+01 0.10779008E-01-0.13672125E-05-0.77200535E-09 0.18366314E-12 2 0.38840301E+05-0.26001846E+02 0.16305321E+00 0.39830137E-01-0.34000128E-04 3 0.15147233E-07-0.24665825E-11 0.41429766E+05 0.23536163E+02 4 N-C4H51 9/21/ 1 C 4H 5 0 0G 300.000 5000.000 2015.000 1 8.87241166E+00 1.40772223E-02-5.18569954E-06 8.48556641E-10-5.11235388E-14 2 4.03366090E+04-1.99219569E+01 3.59900579E+00 2.11316555E-02-5.23112501E-06 3 -1.95151561E-09 8.07311518E-13 4.26020838E+04 1.01758354E+01 4 N-C6H5 H6W/94C 6H 5 0 0G 300.000 3000.000 1 0.16070068E+02 0.81899539E-02 0.17325165E-05-0.20624185E-08 0.36292345E-12 2 0.64616867E+05-0.56163742E+02-0.61135769E+00 0.65082610E-01-0.78262397E-04 3 0.53030828E-07-0.14946683E-10 0.68805375E+05 0.27635468E+02 4 N-C6H7 H6W/94C 6H 7 0 0G 300.000 3000.000 1 0.22577469E+02-0.30737517E-02 0.14225234E-04-0.69880848E-08 0.10232874E-11 2 0.41228980E+05-0.91568619E+02 0.13248032E+00 0.57103366E-01-0.43712644E-04 3 0.15538603E-07-0.12976356E-11 0.47730512E+05 0.25339081E+02 4 P2 HR11/99BLYP00C 12H 10 0 0G 300.000 5000.000 1394.000 1 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 P2- HR 4/99 BLYP00C 12H 9 0 0G 300.000 5000.000 1394.000 1 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 PC3H4 CBS-Q 07/01 C 3H 4 0 0G 300.000 5000.000 1392.000 1 7.11491397E+00 9.82645736E-03-3.33077307E-06 5.13817417E-10-2.96726667E-14 2 1.86178445E+04-1.53858170E+01 1.60534058E+00 2.23376550E-02-1.45105551E-05 3 5.23665582E-09-8.23908998E-13 2.06145602E+04 1.44102633E+01 4 PERYLN CJP MM300 C 20H 12 0 0G 300.000 5000.000 1396.000 1 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 PERYLN* MM300-THERM C 20H 11 0 0G 300.000 5000.000 1395.000 1 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 SC3H5 T 6/96C 3H 5 0 0G 298.150 5000.000 1000. 1 0.61342175E+01 0.13325025E-01-0.48645230E-05 0.83773904E-09-0.55161424E-13 2 0.28626198E+05-0.74112134E+01 0.22361012E+01 0.16387245E-01 0.76639733E-05 3 -0.19364818E-07 0.84155468E-11 0.30173536E+05 0.14806060E+02 0.31602007E+05 4 TC3H5 T 6/96C 3H 5 0 0G 200.000 6000.000 1000. 1 0.61101805E+01 0.14673395E-01-0.53676822E-05 0.86904932E-09-0.51932006E-13 2 0.25532442E+05-0.83555712E+01 0.25544033E+01 0.10986798E-01 0.30174305E-04 3 -0.47253568E-07 0.19771073E-10 0.27150242E+05 0.13207592E+02 0.28582707E+05 4 fluorene HR11/99 BLYP C 13H 10 0 0G 300.000 5000.000 1400.000 1 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 END