*WARNING***The original 7-coeficient polynomials can accept molecules containing only four different elements. The new CHEMKIN program was changed to accept polynomials with 5 diferent elements. See the CHEMKIN manual. THERMO ALL 200.000 1000.000 6000.000 AIR L 9/95 WARNING! 0G 200.000 6000.000 1000. 1 3.08792717E+00 1.24597184E-03-4.23718945E-07 6.74774789E-11-3.97076972E-15 2 -9.95262755E+02 5.95960930E+00 3.56839620E+00-6.78729429E-04 1.55371476E-06 3 -3.29937060E-12-4.66395387E-13-1.06234659E+03 3.71582965E+00-1.50965000E+01 4 AL(cr) REF ELEMEN CODA89AL 1 0 0 0S 200.000 933.610 933.61 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.01040191E+00 1.20769743E-02-2.62083556E-05 3 2.64282413E-08-9.01916513E-12-6.54454196E+02-5.00471254E+00 0.00000000E+00 4 AL(L) REF ELEMENT CODA89AL 1 0 0 0L 933.610 6000.000 1000. 1 3.81862551E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -9.49651808E+01-1.75229704E+01 3.81862551E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-9.49651808E+01-1.75229704E+01 0.00000000E+00 4 AL J 6/83AL 1 0 0 0G 200.000 6000.000 1000. 1 2.53385701E+00-4.65859492E-05 2.82798048E-08-8.54362013E-12 1.02207983E-15 2 3.89045662E+04 5.37984179E+00 3.11112433E+00-3.59382310E-03 8.14749313E-06 3 -8.08808966E-09 2.93132463E-12 3.88283390E+04 2.84045730E+00 3.96535695E+04 4 ALH J 6/63AL 1H 1 0 0G 300.000 5000.000 1000. 1 3.33668980E+00 1.28778640E-03-4.98699410E-07 9.22946330E-11-6.34516940E-15 2 3.00917610E+04 3.09548828E+00 3.65768570E+00-1.97446980E-03 6.86633980E-06 3 -6.20414040E-09 1.86631030E-12 3.01464580E+04 2.08851108E+00 3.11985222E+04 4 ALO J12/79AL 1O 1 0 0G 300.000 5000.000 1000. 1 3.31390640E+00 1.04524210E-03 2.74855330E-07-1.79286060E-10 1.99878130E-14 2 7.09433360E+03 7.20963426E+00 2.81161030E+00 3.95842610E-03-3.36953040E-06 3 6.73304970E-10 4.00894550E-13 7.06550370E+03 9.20895756E+00 8.05147516E+03 4 ALOH J12/67AL 1O 1H 1 0G 300.000 5000.000 1000. 1 3.68606740E+00 3.36368220E-03-1.24662440E-06 2.13822050E-10-1.38983190E-14 2 -2.30461050E+04 3.69015562E+00 2.61322110E+00 2.77168940E-03 7.41578300E-06 3 -1.13546020E-08 4.55695590E-12-2.25867970E+04 1.00753303E+01-2.16392416E+04 4 ALO2 J12/79AL 1O 2 0 0G 300.000 5000.000 1000. 1 6.60646410E+00 1.08022520E-03-5.22293440E-07 1.13242200E-10-8.52909680E-15 2 -1.25324320E+04-8.01717584E+00 3.25451480E+00 1.42758440E-02-2.11032480E-05 3 1.50562590E-08-4.21426140E-12-1.18125820E+04 8.30255496E+00-1.03664132E+04 4 ALO2H J12/68AL 1O 2H 1 0G 300.000 5000.000 1000. 1 6.42643460E+00 3.22303620E-03-1.21393480E-06 2.10745000E-10-1.38280000E-14 2 -5.76261540E+04-7.45759253E+00 2.48004560E+00 1.61492640E-02-1.60335240E-05 3 6.44661660E-09-4.09947690E-13-5.66827590E+04 1.23070710E+01-5.53546581E+04 4 AL2O J12/79AL 2O 1 0 0G 300.000 5000.000 1000. 1 6.77206270E+00 8.25500920E-04-3.62910010E-07 6.95313000E-11-4.73452110E-15 2 -1.96431970E+04-8.77233125E+00 4.07326560E+00 1.13076130E-02-1.65651620E-05 3 1.17842840E-08-3.30055030E-12-1.90542300E+04 4.40834835E+00-1.74618202E+04 4 AL2O2 J12/79AL 2O 2 0 0G 300.000 5000.000 1000. 1 9.15909760E+00 9.68539270E-04-4.32585130E-07 8.51788400E-11-6.16153700E-15 2 -5.04280590E+04-1.91564680E+01 2.75964110E+00 2.99975990E-02-5.21904970E-05 3 4.22826860E-08-1.30753600E-11-4.92260320E+04 1.11007720E+01-4.74536598E+04 4 AL2O3(S) J12/79AL 2O 3 0 0S 300.000 2327.000 1000. 1 1.18336660E+01 3.77088780E-03-1.78631910E-07-5.60088070E-10 1.40768250E-13 2 -2.05711310E+05-6.35998350E+01-4.91383090E+00 7.93984430E-02-1.32379180E-04 3 1.04467500E-07-3.15663300E-11-2.02626220E+05 1.54780730E+01-2.01540284E+05 4 AL2O3(L) J12/79AL 2O 3 0 0L 2327.000 6000.000 1 2.31482410E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.11405200E+05-1.38602050E+02 2.31482410E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.11405200E+05-1.38602050E+02 0.00000000E+00 4 Al2O3(G) T 1/03AL 2.O 3. 0. 0.G 200.000 6000.000 1000. 1 1.17994008E+01 1.76967069E-03-7.04350190E-07 1.22091430E-10-7.69101328E-15 2 -6.97015909E+04-3.04301080E+01 5.63511151E+00 2.44249707E-02-3.39640439E-05 3 2.31585910E-08-6.27550763E-12-6.82839486E+04 1.39618674E-02-6.57754937E+04 4 AR REF ELEMENT L 6/88AR 1 0 0 0G 200.000 6000.000 1000. 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.74537500E+03 0.43796749E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.74537500E+03 0.43796749E+01 0.00000000E+00 4 Ar+ L10/92AR 1E -1 0 0G 298.150 6000.000 1000. 1 2.86999547E+00-1.42547242E-04 9.36688776E-09 2.92580859E-12-3.58247941E-16 2 1.82702617E+05 3.53229975E+00 2.59316097E+00-1.32892944E-03 5.26503944E-06 3 -5.97956691E-09 2.18967862E-12 1.82878368E+05 5.44980570E+00 1.83628186E+05 4 B J 6/83B 1 0 0 0G 200.000 6000.000 1000. 1 2.49860273E+00 1.40267322E-06 1.09458278E-09-1.20006414E-12 2.43121994E-16 2 6.66075914E+04 4.21887979E+00 2.51054099E+00-6.23801328E-05 1.42178099E-07 3 -1.41697796E-10 5.15018749E-14 6.66053894E+04 4.16367209E+00 6.73521350E+04 4 B(S) REF ELEMENT J 3/79B 1 0 0 0S 300.000 2350.000 1000. 1 0.12508638E 01 0.34056258E-02-0.24349586E-05 0.87414463E-09-0.10498288E-12 2 -0.60694437E 03-0.75854277E 01-0.17810789E 01 0.16367573E-01-0.23992225E-04 3 0.17285547E-07-0.48891231E-11-0.16242365E 02 0.69007440E 01 0.0 E 00 4 B(L) REF ELEMENT J 3/79B 1 0 0 0L 2350.000 5000.000 1 0.38245440E 01 0.00000000 0.00000000 0.00000000 0.00000000 2 0.34140016E 04-0.20732328E 02 0.38245440E 01 0.00000000 0.00000000 3 0.00000000 0.00000000 0.34140016E 04-0.20732328E 02 0.00000000 4 BCL J12/64B 1CL 1 0 0G 300.000 5000.000 1000. 1 4.10205710E+00 4.86591930E-04-1.88643260E-07 3.58333420E-11-2.50990690E-15 2 1.56879580E+04 1.95525119E+00 2.83644630E+00 4.43688120E-03-4.38875220E-06 3 1.51610780E-09 3.26461950E-14 1.60013610E+04 8.34533209E+00 1.70084902E+04 4 BCLF J12/64B 1CL 1F 1 0G 300.000 5000.000 1000. 1 5.70767570E+00 1.41002030E-03-6.01141370E-07 1.13670440E-10-7.93680630E-15 2 -3.96933270E+04-1.53503845E+00 3.31202340E+00 7.41987630E-03-4.34859490E-06 3 -1.13740570E-09 1.37638900E-12-3.90175480E+04 1.09483562E+01-3.77402953E+04 4 BCL2 J 6/72B 1CL 2 0 0G 300.000 5000.000 1000. 1 6.44598380E+00 5.79279480E-04-2.60497050E-07 6.35963580E-11-5.39822150E-15 2 -1.16613040E+04-4.46086977E+00 3.29747860E+00 1.20825760E-02-1.61237550E-05 3 9.62658560E-09-2.05991990E-12-1.09565370E+04 1.10425333E+01-9.56076191E+03 4 BCL3 J12/64B 1CL 3 0 0G 300.000 5000.000 1000. 1 8.59853800E+00 1.55319230E-03-6.70006020E-07 1.27891120E-10-9.00000590E-15 2 -5.13570710E+04-1.51584297E+01 3.73952650E+00 1.81058130E-02-2.13404610E-05 3 1.08283350E-08-1.73259670E-12-5.02146090E+04 9.05312747E+00-4.84628831E+04 4 BF J12/64B 1F 1 0 0G 300.000 5000.000 1000. 1 3.57718880E+00 1.01929080E-03-4.12515640E-07 7.71964380E-11-5.34987410E-15 2 -1.51272640E+04 3.26612227E+00 3.46136090E+00-9.56854680E-04 6.01357440E-06 3 -6.49780570E-09 2.23553490E-12-1.49698200E+04 4.46077947E+00-1.39390003E+04 4 BF2 J 6/72B 1F 2 0 0G 300.000 5000.000 1000. 1 5.44474570E+00 1.75332110E-03-7.84444740E-07 1.57198590E-10-1.13110710E-14 2 -7.28603670E+04-2.27331909E+00 3.03093030E+00 7.24110210E-03-2.82509190E-06 3 -2.89204130E-09 2.00461020E-12-7.21511020E+04 1.04457036E+01-7.09553140E+04 4 BF3 J 6/69B 1F 30 0 0G 300.000 5000.000 1000. 1 7.02419850E+00 3.22215590E-03-1.37051540E-06 2.59196710E-10-1.81223100E-14 2 -1.39180720E+05-1.11843009E+01 2.44682440E+00 1.52763120E-02-1.07846170E-05 3 6.89075020E-10 1.48931870E-12-1.37901350E+05 1.25678211E+01-1.36586061E+05 4 BH J12/64B 1H 1 0 0G 300.000 5000.000 1000. 1 2.89190790E+00 1.58329460E-03-5.82617290E-07 1.02420680E-10-6.76695690E-15 2 5.23287140E+04 3.79624329E+00 3.68622060E+00-1.30554350E-03 2.67421050E-06 3 -9.10737380E-10-1.55911360E-13 5.21763300E+04-5.52454012E-02 5.32391023E+04 4 BHF2 J12/65B 1H 1F 2 0G 300.000 5000.000 1000. 1 5.31845270E+00 4.74444660E-03-1.93378580E-06 3.55083820E-10-2.42936670E-14 2 -9.03750120E+04-3.04314020E+00 2.40536020E+00 9.27558440E-03 1.33864610E-06 3 -8.68078950E-09 4.12110150E-12-8.93884090E+04 1.28880442E+01-8.82623625E+04 4 BH2 J12/64B 1H 2 0 0G 300.000 5000.000 1000. 1 3.36252850E+00 3.90128540E-03-1.50975510E-06 2.66728050E-10-1.77130530E-14 2 2.29190280E+04 1.25928259E+00 2.39582820E+00 7.47762600E-03-7.20195140E-06 3 4.58263980E-09-1.25106800E-12 2.31626500E+04 6.07647039E+00 2.41541598E+04 4 BH3 J12/64B 1H 3 0 0G 300.000 5000.000 1000. 1 2.06217260E+00 7.26558950E-03-2.75103370E-06 4.78037090E-10-3.13342850E-14 2 1.19237530E+04 8.84945083E+00 3.94870330E+00-5.21705430E-04 7.64811640E-06 3 -4.61486940E-09 5.63186160E-13 1.16188090E+04-4.55174579E-02 1.28316429E+04 4 BO J 6/68B 1O 1 0 0G 300.000 5000.000 1000. 1 3.15649560E+00 1.38165890E-03-5.50496300E-07 9.91166780E-11-6.41645460E-15 2 -1.03034220E+03 6.03748954E+00 3.72972500E+00-2.08783240E-03 5.73628490E-06 3 -4.38948280E-09 1.09166320E-12-1.06188590E+03 3.62554104E+00-1.45402311E-01 4 BOCL J12/65B 1O 1CL 1 0G 300.000 5000.000 1000. 1 5.71355660E+00 1.86646890E-03-7.74878980E-07 1.43985720E-10-9.93177450E-15 2 -3.99773530E+04-4.88040355E+00 3.27053210E+00 1.02277500E-02-1.20701630E-05 3 7.20255620E-09-1.69147380E-12-3.93782080E+04 7.34930225E+00-3.80417115E+04 4 BOF J12/65B 1O 1F 1 0G 200.000 6000.000 1000. 1 5.39296603E+00 2.07444500E-03-7.93600586E-07 1.33476571E-10-8.21779331E-15 2 -7.43113852E+04-4.76500545E+00 2.23703738E+00 1.33495496E-02-1.81530614E-05 3 1.36093676E-08-4.24382397E-12-7.35283735E+04 1.10069410E+01-7.24035451E+04 4 BOF2 J12/66B 1O 1F 2 0G 300.000 5000.000 1000. 1 7.30772330E+00 2.99036200E-03-1.30596170E-06 2.53082420E-10-1.76873330E-14 2 -1.03345760E+05-1.11924159E+01 1.74459770E+00 1.86932770E-02-1.52461640E-05 3 2.65594700E-09 1.37986060E-12-1.01867580E+05 1.73531391E+01-1.00645369E+05 4 BO2 J 6/68B 1O 2 0 0G 300.000 5000.000 1000. 1 5.81984340E+00 1.86265740E-03-8.13027970E-07 1.57358210E-10-1.09442380E-14 2 -3.62551170E+04-6.56090797E+00 3.12120480E+00 8.46808830E-03-4.59722780E-06 3 -1.64200210E-09 1.66582330E-12-3.54833070E+04 7.54789163E+00-3.42194143E+04 4 B2 J 3/79B 2 0 0 0G 200.000 6000.000 1000. 1 5.23869155E+00-5.23607507E-04 1.69704978E-07-2.06549042E-11 9.41435925E-16 2 9.79873828E+04-6.00742217E+00 3.79099744E+00-5.87536359E-03 3.00514162E-05 3 -3.91439173E-08 1.60419428E-11 9.87229998E+04 3.43463203E+00 9.97878648E+04 4 B2O J 6/66B 2O 1 0 0G 300.000 5000.000 1000. 1 4.73005380E+00 2.39414860E-03-1.00083240E-06 1.86975100E-10-1.29536720E-14 2 9.88533540E+03-6.35851289E-01 3.52947300E+00 3.19938260E-03 3.03292570E-06 3 -5.74912550E-09 2.28473490E-12 1.03632010E+04 6.23963143E+00 1.15742290E+04 4 B2O2 J12/64B 2O 2 0 0G 300.000 5000.000 1000. 1 6.99385740E+00 3.59403930E-03-1.47536110E-06 2.72251240E-10-1.86959960E-14 2 -5.72961780E+04-1.21677771E+01 3.68070780E+00 1.53611320E-02-1.86060970E-05 3 1.21714510E-08-3.24110180E-12-5.64866470E+04 4.35612734E+00-5.48483506E+04 4 B2O3(L) J 6/71B 2O 30 00 0L 300.000 3000.000 1000. 1 0.15600114E 02 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.15684455E 06-0.83126444E 02 0.31433274E 02-0.21578039E 00 0.64057986E-03 3 -0.70572420E-06 0.26509150E-09-0.15490139E 06-0.12803880E 03-0.15074514E+06 4 B2O3 J 6/71B 2O 3 0 0G 300.000 5000.000 1000. 1 8.39941060E+00 4.74363380E-03-1.95523040E-06 3.61877490E-10-2.49072320E-14 2 -1.03571580E+05-1.58100009E+01 3.66088370E+00 2.02620760E-02-2.19473380E-05 3 1.22530040E-08-2.70384020E-12-1.02365240E+05 8.10622068E+00-1.00544127E+05 4 B3O3CL3 J 3/65B 3O 3CL 3 0G 300.000 5000.000 1000. 1 1.92825640E+01 6.31725810E-03-2.72429260E-06 5.20479100E-10-3.66777900E-14 2 -2.03208830E+05-6.78851521E+01 4.04449830E+00 5.42605970E-02-5.57507610E-05 3 2.22231280E-08-1.41812950E-12-1.99416320E+05 9.05672255E+00-1.96248045E+05 4 B3O3F3 J 3/65B 3O 3F 3 0G 300.000 5000.000 1000. 1 1.68586160E+01 8.86857540E-03-3.78810580E-06 7.18704010E-10-5.03769170E-14 2 -2.90931040E+05-5.98587523E+01 3.07988610E+00 4.56365920E-02-3.30988260E-05 3 2.55388390E-09 4.43587610E-12-2.87122130E+05 1.14753917E+01-2.84460743E+05 4 B3O3H3 J 3/65B 3O 3H 3 0G 200.000 6000.000 1000. 1 1.21201212E+01 1.22811209E-02-4.60922487E-06 7.65824542E-10-4.67623793E-14 2 -1.51648629E+05-3.98918007E+01 2.76989078E+00 2.53425900E-02 1.22486701E-05 3 -3.73057611E-08 1.74556897E-11-1.48431026E+05 1.15218019E+01-1.46436050E+05 4 H3B3O6 J12/64H 3B 3O 6 0G 300.000 5000.000 1000. 1 2.01535790E+01 1.30162860E-02-5.06696190E-06 9.03082530E-10-6.05324100E-14 2 -2.81040920E+05-7.96763324E+01-2.27051160E+00 8.70248940E-02-9.15877140E-05 3 3.94453920E-08-3.66660350E-12-2.75695230E+05 3.25296526E+01-2.73237150E+05 4 BAO(G) T 2/03BA 1.O 1. 0. 0.G 200.000 6000.000 1000. 1 3.55502804E+00 1.95444826E-03-1.45135366E-06 4.38035990E-10-3.76904801E-14 2 -1.53106549E+04 7.55560778E+00 2.78388903E+00 6.15838284E-03-9.25760577E-06 3 6.55343820E-09-1.77963615E-12-1.52198605E+04 1.09786578E+01-1.41858029E+04 4 BR J 6/82BR 1 0 0 0G 200.000 6000.000 1000. 1 0.20866945E+01 0.71459733E-03-0.27080691E-06 0.41519029E-10-0.23016335E-14 2 0.12857696E+05 0.90837335E+01 0.24820782E+01 0.18570465E-03-0.64313029E-06 3 0.84642045E-09-0.30137068E-12 0.12709455E+05 0.68740409E+01 0.13453589E+05 4 DBr tpis89D 1.BR 1. 0. 0.G 200.000 6000.000 1000. 1 3.22932705E+00 1.27632694E-03-4.73731331E-07 8.51651961E-11-5.76511714E-15 2 -5.51301106E+03 5.74862955E+00 3.68870551E+00-1.77751272E-03 5.00542963E-06 3 -3.55775119E-09 7.52451506E-13-5.51277091E+03 3.91436607E+00-4.45444121E+03 4 BRO T02/97BR 1O 1 0 0G 200.000 6000.000 1000. 1 5.07219100E+00-4.35812081E-04 1.75747890E-07-2.82506168E-11 1.92290510E-15 2 1.35030084E+04-1.08904614E+00 2.55466821E+00 6.43468019E-03-2.95159758E-06 3 -4.90190824E-09 3.64995652E-12 1.41165412E+04 1.17071098E+01 1.51301760E+04 4 BrO2 Br-O-O T02/97BR 1O 2 0 0G 200.000 6000.000 1000. 1 6.00363127E+00 9.92540840E-04-3.82278926E-07 6.45667378E-11-3.98629626E-15 2 1.10621232E+04 3.62860950E-02 5.09638120E+00 3.60676575E-03-4.28370757E-06 3 3.72707925E-09-1.47204500E-12 1.13407206E+04 4.78601414E+00 1.29893403E+04 4 BrO2 O-Br-O T02/97BR 1O 2 0 0G 200.000 6000.000 1000. 1 6.24396373E+00 7.82813558E-04-3.08534350E-07 5.28853891E-11-3.29803612E-15 2 1.62066239E+04-3.61634966E+00 3.07292385E+00 1.13245422E-02-1.28765411E-05 3 5.90293758E-09-6.56032315E-13 1.69641688E+04 1.22438586E+01 1.82812938E+04 4 BrO3 T02/97BR 1O 3 0 0G 200.000 6000.000 1000. 1 8.69236256E+00 1.35841486E-03-5.36468670E-07 9.20768329E-11-5.74736730E-15 2 2.36159592E+04-1.64447310E+01 1.49818242E+00 3.04080397E-02-4.72006811E-05 3 3.49686979E-08-1.00736007E-11 2.51344798E+04 1.84248093E+01 2.65800390E+04 4 BR2 REF ELEMENT J 6/82BR 2 0 0 0G 200.000 6000.000 1000. 1 0.49231991E+01-0.85447779E-03 0.59229129E-06-0.12767491E-09 0.84730953E-14 2 -0.15175171E+04 0.15060691E+01 0.33427017E+01 0.63460452E-02-0.13621151E-04 3 0.13151888E-07-0.46776728E-11-0.11821285E+04 0.90749722E+01 0.00000000E+00 4 Br2O BrBr-O T02/97BR 2O 1 0 0G 200.000 6000.000 1000. 1 6.61241475E+00 4.02586598E-04-1.58975806E-07 2.72841078E-11-1.70297367E-15 2 1.81249753E+04-3.99723764E-01 4.44451500E+00 9.35658684E-03-1.49756620E-05 3 1.14829127E-08-3.42674585E-12 1.85758718E+04 1.00676579E+01 2.02056405E+04 4 Br2O Br-O-Br T02/97BR 2O 1 0 0G 200.000 6000.000 1000. 1 6.60036780E+00 4.19198661E-04-1.66518672E-07 2.86896506E-11-1.79550923E-15 2 1.08520131E+04-2.99978832E+00 3.04140956E+00 1.75424857E-02-3.28632899E-05 3 2.86038685E-08-9.44453191E-12 1.14930042E+04 1.36453473E+01 1.29412317E+04 4 PbBr2 J12/73PB 1.BR 2. 0. 0.G 300.000 5000.000 1000. 1 6.94729060E+00 6.01990010E-05-2.65566850E-08 5.15960120E-12-3.68370500E-16 2 -1.46454410E+04 1.18015799E+00 6.39020910E+00 2.52890500E-03-4.19037430E-06 3 3.13675230E-09-8.79767450E-13-1.45417920E+04 3.81752929E+00-1.25553875E+04 4 C(GR) REF ELEMENT P 4/83C 1 0 0 0C 200.000 5000.000 1000. 1 0.14556924E+01 0.17170638E-02-0.69758410E-06 0.13528316E-09-0.96764905E-14 2 -0.69512804E+03-0.85256842E+01-0.31087207E+00 0.44035369E-02 0.19039412E-05 3 -0.63854697E-08 0.29896425E-11-0.10865079E+03 0.11138295E+01 0.00000000E+00 4 C L 7/88C 1 0 0 0G 200.000 6000.000 1000. 1 0.26055830E+01-0.19593434E-03 0.10673722E-06-0.16423940E-10 0.81870580E-15 2 0.85411742E+05 0.41923868E+01 0.25542395E+01-0.32153772E-03 0.73379223E-06 3 -0.73223487E-09 0.26652144E-12 0.85442681E+05 0.45313085E+01 0.86195097E+05 4 C+ L 7/88C 1E -1 0 0G 298.150 6000.000 1000. 1 0.25085352E+01-0.10859950E-04 0.53707035E-08-0.11827082E-11 0.97126910E-16 2 0.21687829E+06 0.43173958E+01 0.26152397E+01-0.55378388E-03 0.10634864E-05 3 -0.92375636E-09 0.30077457E-12 0.21686085E+06 0.38265288E+01 0.21762369E+06 4 C(S) P 4/83C 1 0 0 0C 200.000 5000.000 12.01100 1 0.14556924e+01 0.17170638e-02-0.69758410e-06 0.13528316e-09-0.96764905e-14 2 -0.69512804e+03-0.85256842e+01-0.31087207e+00 0.44035369e-02 0.19039412e-05 3 -0.63854697e-08 0.29896425e-11-0.10865079e+03 0.11138295e+01 4 CBR T 4/04C 1.BR 1. 0. 0.G 200.000 6000.000 1000. 1 4.22276728E+00 2.88156903E-04-1.13837110E-07 1.95419868E-11-1.21993861E-15 2 5.82936956E+04 3.45831381E+00 2.86960998E+00 4.95324292E-03-5.93796515E-06 3 2.93797020E-09-4.07448826E-13 5.86073246E+04 1.01813191E+01 5.96362071E+04 4 CBRClF2 RUS 79C 1F 2CL 1BR 1G 200.000 6000.000 1000. 1 0.10796522E+02 0.22669030E-02-0.89010449E-06 0.15221044E-09-0.94769732E-14 2 -0.56074618E+05-0.24866158E+02 0.21055312E+01 0.35677153E-01-0.52831950E-04 3 0.38479959E-07-0.11114638E-10-0.54135708E+05 0.17730129E+02-0.52318176E+05 4 CBRF3 Freon 1301 RUS 79C 1F 3BR 1 0G 200.000 6000.000 1000. 1 0.10243611E+02 0.28215023E-02-0.11045573E-05 0.18851925E-09-0.11722236E-13 2 -0.81715359E+05-0.24553036E+02 0.19219428E+01 0.31086171E-01-0.38589387E-04 3 0.23185006E-07-0.54663797E-11-0.79689272E+05 0.17106925E+02-0.78032259E+05 4 CBr2 Radical T 4/04C 1.BR 2. 0. 0.G 200.000 6000.000 1000. 1 7.24933213E+00-8.58902960E-04 5.63433533E-07-9.47618492E-11 4.79033481E-15 2 3.89684139E+04-6.85243356E+00 2.95655957E+00 1.69562062E-02-3.03146341E-05 3 2.54004972E-08-8.13473762E-12 3.99004119E+04 1.39613758E+01 4.13140883E+04 4 CBR2F2 RUS 79C 1F 2BR 2 0G 200.000 6000.000 1000. 1 0.10938166E+02 0.21205324E-02-0.83247738E-06 0.14233906E-09-0.88616291E-14 2 -0.49463655E+05-0.24751195E+02 0.28677215E+01 0.33279106E-01-0.49637736E-04 3 0.36511709E-07-0.10661103E-10-0.47665972E+05 0.14781450E+02-0.45703234E+05 4 CBr3 Radical T 2/04C 1.BR 3. 0. 0.G 200.000 6000.000 1000. 1 9.23234074E+00 7.99416503E-04-3.16167102E-07 5.43171582E-11-3.39266689E-15 2 2.90724613E+04-1.27165464E+01 4.24874806E+00 2.27424021E-02-3.91200366E-05 3 3.19712338E-08-1.00758327E-11 3.00544432E+04 1.10469792E+01 3.20448373E+04 4 CBr4 T04/04C 1.BR 4. 0. 0.G 200.000 6000.000 1000. 1 1.21245741E+01 9.15750324E-04-3.63156485E-07 6.25001719E-11-3.90854515E-15 2 1.04626368E+04-2.67954406E+01 5.10358598E+00 3.39593343E-02-6.24045027E-05 3 5.36483603E-08-1.75710183E-11 1.17592386E+04 6.21074038E+00 1.43366428E+04 4 CCL J12/69C 1CL 10 00 0G 300.000 5000.000 1000. 1 0.40984727E 01 0.50077845E-03-0.20012833E-06 0.38680992E-10-0.25441113E-14 2 0.59076599E 05 0.33501736E 01 0.31953557E 01 0.28076318E-02-0.16043845E-05 3 -0.57744065E-09 0.61409732E-12 0.59325077E 05 0.80351732E 01 0.60387056E+05 4 CCLF T 7/95C 1CL 1F 1 0G 200.000 6000.000 1000. 1 0.54307520E+01 0.50150344E-03-0.22180016E-06 0.64210243E-10-0.56789849E-14 2 0.13122940E+04-0.42533125E+00 0.35204286E+01 0.56648447E-02-0.48259157E-05 3 0.11531380E-08 0.25649091E-12 0.18509860E+04 0.94809134E+01 0.31121497E+04 4 COCLF J 6/61C 1O 1CL 1F 1G 300.000 5000.000 1000. 1 7.08810810E+00 3.18164790E-03-1.37633160E-06 2.65440050E-10-1.89289690E-14 2 -5.38837810E+04-8.68499361E+00 1.70666610E+00 2.27225650E-02-3.01156390E-05 3 2.04835660E-08-5.65722280E-12-5.26199020E+04 1.79876256E+01-5.13293738E+04 4 CCLF2 RUS 79C 1F 2CL 1 0G 200.000 6000.000 1000. 1 0.80282121E+01 0.20189090E-02-0.79048024E-06 0.13492662E-09-0.83903043E-14 2 -0.35924267E+05-0.12621010E+02 0.22332425E+01 0.20740417E-01-0.23401456E-04 3 0.11899516E-07-0.20885418E-11-0.34478176E+05 0.16591709E+02-0.33074709E+05 4 CCLF3 FC-13 J 6/69C 1F 3CL 1 0G 200.000 6000.000 1000. 1 0.10091094E+02 0.29780933E-02-0.11659765E-05 0.19901491E-09-0.12375419E-13 2 -0.88819890E+05-0.25287649E+02 0.11848463E+01 0.33290012E-01-0.41344756E-04 3 0.24726788E-07-0.57670412E-11-0.86657686E+05 0.19274742E+02-0.85143923E+05 4 CLCN J 6/66CL 1C 1N 1 0G 300.000 5000.000 1000. 1 5.49200210E+00 2.09872480E-03-7.74159140E-07 1.38238820E-10-9.23348640E-15 2 1.47491610E+04-3.73046245E+00 3.33908540E+00 1.03974680E-02-1.37046500E-05 3 9.50619620E-09-2.59252600E-12 1.52375390E+04 6.83103255E+00 1.65917045E+04 4 COCL J12/65C 1O 1CL 1 0G 300.000 5000.000 1000. 1 5.42912360E+00 1.61215350E-03-6.60062800E-07 1.21271140E-10-8.28586010E-15 2 -9.33050070E+03 3.82874056E-01 4.28637920E+00 5.08689800E-03-5.07294110E-06 3 2.96479830E-09-7.70934530E-13-9.01252120E+03 6.25118670E+00-7.54776465E+03 4 CCl2 IU8/03C 1.CL 2. 0. 0.G 200.000 6000.000 1000. 1 0.80836736E+01-0.11686005E-02 0.47029320E-06-0.81695078E-10 0.51447645E-14 2 0.25307376E+05-0.14232761E+02 0.96645165E+00 0.26370954E-01-0.34655778E-04 3 0.14693679E-07-0.66489549E-13 0.26683995E+05 0.20047532E+02 0.27867073E+05 4 CCL2F RUS 79C 1F 1CL 2 0G 200.000 6000.000 1000. 1 0.84345756E+01 0.16113470E-02-0.63289029E-06 0.10824563E-09-0.67404226E-14 2 -0.15533481E+05-0.13322229E+02 0.24855872E+01 0.23260491E-01-0.31755314E-04 3 0.20955723E-07-0.54319496E-11-0.14161751E+05 0.16091138E+02-0.12628525E+05 4 CCL2F2 FREON-12 T 9/99C 1F 2CL 2 0G 200.000 6000.000 1000. 1 1.06559336E+01 2.41165412E-03-9.46969699E-07 1.61937898E-10-1.00827794E-14 2 -6.30799044E+04-2.63102587E+01 1.41679928E+00 3.77483497E-02-5.54644732E-05 3 4.00119306E-08-1.14401332E-11-6.10131047E+04 1.90076580E+01-5.93292449E+04 4 COCL2 RUS 91C 1O 1CL 2 0G 200.000 6000.000 1000. 1 7.86018378E+00 2.13271500E-03-8.22077158E-07 1.38951133E-10-8.58406653E-15 2 -2.91056423E+04-1.19011907E+01 1.70787910E+00 2.89369464E-02-4.93289116E-05 3 4.16910139E-08-1.37057391E-11-2.78350932E+04 1.76202114E+01-2.63996315E+04 4 CCl3 S09/01C 1.CL 3. 0. 0.G 200.000 6000.000 1000. 1 8.86167674E+00 1.18055486E-03-4.65765318E-07 7.98915627E-11-4.98464418E-15 2 5.60193095E+03-1.57461775E+01 2.66358332E+00 2.71296370E-02-4.42402957E-05 3 3.46851463E-08-1.05866977E-11 6.88202237E+03 1.41172615E+01 8.55468332E+03 4 CCL3F FC-11 P12/75C 1CL 3F 1 0G 298.150 5000.000 1000. 1 0.11246530E 02 0.17837698E-02-0.69260443E-06 0.11740724E-09-0.72640292E-14 2 -0.38108309E 05-0.28275976E 02 0.48287687E 01 0.18981740E-01-0.10360662E-04 3 -0.78472127E-08 0.68452752E-11-0.36446184E 05 0.46341471E 01-0.34269462E 05 4 CCL3O Radical T12/01C 1.CL 3.O 1. 0.G 200.000 6000.000 1000. 1 1.14909797E+01 1.56122123E-03-6.15126171E-07 1.05428446E-10-6.57464465E-15 2 -6.01860947E+03-2.78463259E+01 2.24693874E+00 4.50634603E-02-8.33966388E-05 3 7.30353534E-08-2.44131851E-11-4.28300968E+03 1.56894415E+01-2.21415333E+03 4 CCL4 L12/81C 1CL 4 0 0G 298.150 5000.000 1000. 1 1.17390960E+01 1.28375530E-03-4.96502590E-07 8.35250200E-11-5.11072240E-15 2 -1.54190900E+04-3.07909700E+01 5.79662990E+00 1.79774390E-02-1.09565460E-05 3 -6.66818070E-09 6.45548980E-12-1.39409650E+04-5.70110920E-01-1.15237980E+04 4 CD T 2/80C 1D 1 0 0G 300.000 5000.000 1000. 1 0.26841459E+01 0.18855776E-02-0.48628311E-06 0.38441708E-10 0.64605384E-15 2 0.70531750E+05 0.70322804E+01 0.35427971E+01-0.47720969E-03 0.10656331E-05 3 0.73458772E-09-0.74328873E-12 0.70311938E+05 0.26416878E+01 0.71355979E+05 4 CDH3 T05/79C 1D 1H 3 0G 300.000 5000.000 1000. 1 0.29389458E+01 0.84684640E-02-0.28219238E-05 0.41319725E-09-0.21738508E-13 2 -0.10964586E+05 0.42781033E+01 0.26380539E+01 0.41823313E-02 0.72133871E-05 3 -0.58564389E-08 0.79961938E-12-0.10462590E+05 0.75096125E+01-0.94354328E+04 4 CDO IU5/03C 1.D 1.O 1. 0.G 200.000 6000.000 1000. 1 3.94049716E+00 3.05762633E-03-9.52036760E-07 1.60149611E-10-1.09618875E-14 2 3.47656882E+03 3.86074826E+00 3.95151630E+00-9.48107671E-04 1.00805008E-05 3 -1.02322511E-08 3.34361621E-12 3.71808874E+03 4.89958505E+00 4.92451113E+03 4 CD2 T05/80C 1D 2 0 0G 300.000 5000.000 1000. 1 0.36602430E+01 0.33572798E-02-0.12381643E-05 0.20197106E-09-0.12083819E-13 2 0.44684898E+05 0.25685925E+01 0.38409843E+01 0.12651016E-02 0.18910869E-05 3 -0.77415541E-09-0.25377709E-12 0.44799531E+05 0.22334236E+01 0.46014570E+05 4 CD2O T 8/81C 1D 2O 1 0G 300.000 5000.000 1000. 1 0.46622076E+01 0.50203055E-02-0.18413848E-05 0.29739944E-09-0.17558905E-13 2 -0.15805738E+05-0.17688099E+01 0.25921259E+01 0.59901401E-02 0.39293818E-05 3 -0.62653172E-08 0.18746567E-11-0.14881922E+05 0.10390113E+02-0.13818716E+05 4 CD3 T11/79C 1D 3 0 0G 300.000 5000.000 1000. 1 0.44567032E+01 0.49626939E-02-0.17476059E-05 0.27139846E-09-0.15351469E-13 2 0.14782500E+05-0.23810688E+01 0.34687710E+01 0.49496330E-02 0.19827057E-05 3 -0.36768906E-08 0.12036257E-11 0.15276805E+05 0.36025786E+01 0.16680117E+05 4 CD3NO2 T01/00C 1D 3N 1O 2G 200.000 6000.000 1000. 1 8.82522748E+00 9.35166732E-03-3.53835387E-06 5.90989862E-10-3.62227246E-14 2 -1.13067808E+04-2.08804860E+01 2.37203218E+00 1.42408389E-02 2.16286890E-05 3 -4.09339693E-08 1.78857173E-11-8.89033378E+03 1.55850830E+01-7.43151250E+03 4 CD4 RRHO T05/79C 1D 4 0 0G 300.000 5000.000 1000. 1 0.47153826E+01 0.75838268E-02-0.27129208E-05 0.42667048E-09-0.24420637E-13 2 -0.12937410E+05-0.61998917E+01 0.19176292E+01 0.91806799E-02 0.47843714E-05 3 -0.88772119E-08 0.29830964E-11-0.11712711E+05 0.10130220E+02-0.10705742E+05 4 CD4 * ANHARMONIC T06/81C 1D 4 0 0G 300.000 5000.000 1000. 1 0.44482183E+01 0.81195608E-02-0.27020378E-05 0.43419712E-09-0.24605867E-13 2 -0.12860102E+05-0.47861973E+01 0.19425707E+01 0.89269280E-02 0.54267666E-05 3 -0.89088488E-08 0.28879408E-11-0.11714484E+05 0.10036650E+02-0.10705742E+05 4 CD3OD Methanol d4 T06/02C 1.D 4.O 1. 0.G 200.000 6000.000 1000. 1 6.04917775E+00 8.89558611E-03-3.31066729E-06 5.46963308E-10-3.32659293E-14 2 -2.89654851E+04-8.37255929E+00 3.88645048E+00-2.67005954E-03 4.85836046E-05 3 -6.24068205E-08 2.47546189E-11-2.75371566E+04 6.97316454E+00-2.61794946E+04 4 CF J 6/70C 1F 1 0 0G 300.000 5000.000 1000. 1 3.68696790E+00 9.11434910E-04-3.64638550E-07 6.74828540E-11-4.52695960E-15 2 2.94781250E+04 4.17450994E+00 3.46551430E+00-6.87798050E-04 5.67847660E-06 3 -6.45829820E-09 2.29882480E-12 2.96555980E+04 5.88135474E+00 3.06967621E+04 4 FCN J 6/69F 1C 1N 1 0G 300.000 5000.000 1000. 1 5.08985570E+00 2.41706840E-03-9.76827660E-07 1.78134420E-10-1.21185670E-14 2 2.57807810E+03-2.87278107E+00 3.25169410E+00 8.30731440E-03-8.36663580E-06 3 4.41256440E-09-9.08824230E-13 3.05511980E+03 6.44214763E+00 4.32821878E+03 4 COF J12/65C 1O 1F 1 0G 300.000 5000.000 1000. 1 4.89082140E+00 2.21797030E-03-9.25507250E-07 1.72701200E-10-1.19553430E-14 2 -2.23579840E+04 9.92783959E-01 3.20197270E+00 5.58377700E-03-1.49054810E-06 3 -2.31260690E-09 1.36143530E-12-2.18170430E+04 1.00607391E+01-2.06312897E+04 4 CF2 J 6/70C 1F 2 0 0G 300.000 5000.000 1000. 1 5.22671420E+00 2.08376800E-03-9.90372780E-07 2.12648480E-10-1.58311140E-14 2 -2.37558470E+04-1.91090412E+00 2.76888210E+00 7.23729620E-03-1.60281520E-06 3 -4.55123790E-09 2.66480110E-12-2.30157860E+04 1.11376959E+01-2.18904653E+04 4 COF2 RUS 91C 1O 1F 2 0G 200.000 6000.000 1000. 1 6.81631730E+00 3.16473282E-03-1.21776269E-06 2.05582261E-10-1.26893125E-14 2 -7.95482716E+04-9.52864566E+00 2.12979489E+00 1.41019723E-02-5.94381359E-06 3 -5.30544790E-09 3.97367469E-12-7.81745339E+04 1.51109093E+01-7.69738686E+04 4 CF3 J 6/69C 1F 3 0 0G 300.000 5000.000 1000. 1 7.20126220E+00 3.06639350E-03-1.31441810E-06 2.49969250E-10-1.75509280E-14 2 -5.92386310E+04-1.09457100E+01 2.06501680E+00 1.64241580E-02-1.08381460E-05 3 -8.53179970E-10 2.38780700E-12-5.78119760E+04 1.57046930E+01-5.65626016E+04 4 CF3I J 6/69C 1F 3I 1 0G 200.000 6000.000 1000. 1 0.10375057E+02 0.26880979E-02-0.10525827E-05 0.17967408E-09-0.11173263E-13 2 -0.74551179E+05-0.24024941E+02 0.25628907E+01 0.28507572E-01-0.33699705E-04 3 0.18730304E-07-0.39219886E-11-0.72621870E+05 0.15237838E+02-0.70853243E+05 4 CF3O Radical T07/04C 1.F 3.O 1. 0.G 200.000 6000.000 1000. 1 9.76423201E+00 3.30092424E-03-1.28961521E-06 2.19815579E-10-1.36560199E-14 2 -7.94771282E+04-2.37694198E+01 1.82041152E+00 2.65327204E-02-2.45066904E-05 3 7.86171828E-09 2.73540764E-13-7.73780958E+04 1.68621895E+01-7.58568931E+04 4 CF3OO RADICAL T10/97C 1F 3O 2 0G 200.000 6000.000 1000. 1 1.22037091E+01 3.39739140E-03-1.33527750E-06 2.28468036E-10-1.42307780E-14 2 -7.99109047E+04-3.41946453E+01 1.55041706E+00 3.73972544E-02-4.08839888E-05 3 1.89635072E-08-2.54712965E-12-7.72518205E+04 1.95583929E+01-7.54523069E+04 4 CF4 FC-14 T 9/99C 1F 4 0 0G 200.000 6000.000 1000. 1 9.44099184E+00 3.62071082E-03-1.41228609E-06 2.40482377E-10-1.49298254E-14 2 -1.15774828E+05-2.47051920E+01 1.10989749E+00 2.86535601E-02-2.84860924E-05 3 1.18222921E-08-1.22468827E-12-1.13589057E+05 1.77898592E+01-1.12213468E+05 4 CH IU3/03C 1.H 1. 0. 0.G 200.000 6000.000 1000. 1 0.25209369E+01 0.17653639E-02-0.46147660E-06 0.59289675E-10-0.33474501E-14 2 0.70994878E+05 0.74051829E+01 0.34897583E+01 0.32432160E-03-0.16899751E-05 3 0.31628420E-08-0.14061803E-11 0.70660755E+05 0.20842841E+01 0.71706297E+05 4 CHBR T 2/04C 1.H 1.BR 1. 0.G 200.000 6000.000 1000. 1 5.28977462E+00 1.41064245E-03-4.82019526E-07 7.96049279E-11-4.95428931E-15 2 4.36578258E+04-4.88685664E-01 2.94301638E+00 6.74163923E-03 3.17779159E-07 3 -8.95038102E-09 5.24099443E-12 4.42807928E+04 1.16897579E+01 4.54454923E+04 4 CHBRF2 RUS 79C 1H 1F 2BR 1G 200.000 6000.000 1000. 1 0.79956377E+01 0.46809168E-02-0.17376628E-05 0.28678947E-09-0.17435780E-13 2 -0.53795363E+05-0.12434624E+02 0.33173655E+01 0.13144058E-01 0.17756615E-05 3 -0.14547464E-07 0.75186250E-11-0.52318418E+05 0.12722668E+02-0.50754645E+05 4 CHBR2 T 2/04C 1.H 1.BR 2. 0.G 200.000 6000.000 1000. 1 6.98912016E+00 2.60344199E-03-9.18425207E-07 1.46505921E-10-8.69891195E-15 2 2.14931363E+04-5.09358817E+00 2.78930563E+00 1.91599709E-02-2.64119986E-05 3 1.80644053E-08-4.78973925E-12 2.23892774E+04 1.53305876E+01 2.38725986E+04 4 CHBR3 BROMOFORM T 2/04C 1.H 1.BR 3. 0.G 200.000 6000.000 1000. 1 9.33702350E+00 3.32595225E-03-1.21194327E-06 1.97616744E-10-1.19155492E-14 2 3.29366728E+03-1.50773866E+01 3.64744682E+00 2.37778637E-02-2.97514832E-05 3 1.82750488E-08-4.31214235E-12 4.61115559E+03 1.30919213E+01 6.52672016E+03 4 CHCL L 3/84C 1H 1CL 1 0G 300.000 5000.000 1000. 1 0.50468426E 01 0.66806213E-03 0.31887100E-06-0.10470093E-09 0.76054614E-14 2 0.35351730E 05-0.11610727E 01 0.31592255E 01 0.46576671E-02-0.77836523E-06 3 -0.26889417E-08 0.15871107E-11 0.35940453E 05 0.89036818E 01 0.37077792E 05 4 CHCLF L 4/86C 1H 1CL 1F 1G 298.150 5000.000 1000. 1 0.65730400E 01 0.29733933E-02-0.10222593E-05 0.15512820E-09-0.85432759E-14 2 -0.12409480E 05-0.51201038E 01 0.33409529E 01 0.10670263E-01-0.39450997E-05 3 -0.48872693E-08 0.34919463E-11-0.11491043E 05 0.11776594E 02-0.10064453E 05 4 CHCLF2 HCFC-22 RUS 79C 1F 2H 1CL 1G 200.000 6000.000 1000. 1 0.77564079E+01 0.49188408E-02-0.18293348E-05 0.30228522E-09-0.18393251E-13 2 -0.60143678E+05-0.12941733E+02 0.26028998E+01 0.14767611E-01 0.26568017E-06 3 -0.14000683E-07 0.74942979E-11-0.58539689E+05 0.14650645E+02-0.57129043E+05 4 CHCL2 L 3/84C 1H 1CL 2 0G 300.000 5000.000 1000. 1 0.68659325E 01 0.26912021E-02-0.91447470E-06 0.13676213E-09-0.73845654E-14 2 0.64878789E 04-0.70413742E 01 0.36568127E 01 0.10666471E-01-0.44123180E-05 3 -0.47082409E-08 0.35693497E-11 0.73712227E 04 0.96209192E 01 0.88877011E 04 4 CHCL2F FC-21 P12/75C 1H 1CL 2F 1G 298.150 5000.000 1000. 1 0.85083923E 01 0.40345713E-02-0.14268226E-05 0.22247303E-09-0.12630173E-13 2 -0.37427910E 05-0.15411654E 02 0.31107159E 01 0.16295891E-01-0.47331187E-05 3 -0.94798160E-08 0.61323750E-11-0.35862211E 05 0.12963858E 02-0.34269462E 05 4 CCL2OH RADICAL T12/01C 1.CL 2.O 1.H 1.G 200.000 6000.000 1000. 1 9.04056721E+00 2.87032241E-03-9.87387267E-07 1.55039889E-10-9.11112809E-15 2 -1.44761757E+04-1.59551709E+01 2.11156612E+00 3.46879806E-02-5.98032879E-05 3 5.05956283E-08-1.65224560E-11-1.31581816E+04 1.68137718E+01-1.14230183E+04 4 CHCL3 P 6/81C 1H 1CL 3 0G 298.150 5000.000 1000. 1 0.89938030E 01 0.35652192E-02-0.12537648E-05 0.19479131E-09-0.11032021E-13 2 -0.15609000E 05-0.17631689E 02 0.36819801E 01 0.16611021E-01-0.66180801E-05 3 -0.81291560E-08 0.59433135E-11-0.14141844E 05 0.99835104E 01-0.12379277E 05 4 CCl3OH T12/01C 1.CL 3.O 1.H 1.G 200.000 6000.000 1000. 1 1.15617652E+01 3.40353310E-03-1.20404095E-06 1.92737569E-10-1.14815680E-14 2 -3.71195773E+04-2.87400802E+01 1.93683294E+00 4.74652448E-02-8.26081967E-05 3 7.00496001E-08-2.29009678E-11-3.52771007E+04 1.68237134E+01-3.31921713E+04 4 CHD2NO2 T04/98 WARNING! G 200.000 6000.000 1000. 1 8.08961148E+00 9.83765066E-03-3.67240992E-06 6.08123340E-10-3.70523025E-14 2 -1.05585014E+04-1.58799705E+01 2.86575841E+00 9.70884039E-03 2.98575468E-05 3 -4.74818909E-08 1.98756686E-11-8.40693607E+03 1.46207846E+01-6.94164250E+03 4 CHD3 T05/79C 1H 1D 3 0G 300.000 5000.000 1000. 1 0.40764599E+01 0.79434291E-02-0.27834194E-05 0.42990389E-09-0.24151396E-13 2 -0.12245391E+05-0.13486305E+01 0.21469107E+01 0.74287578E-02 0.56749586E-05 3 -0.77548528E-08 0.21464679E-11-0.11265895E+05 0.10451311E+02-0.10257971E+05 4 CHF RADICAL T 8/99C 1H 1F 1 0G 200.000 6000.000 1000. 1 3.81407171E+00 2.91531169E-03-1.06577623E-06 1.74013614E-10-1.04973609E-14 2 1.82312890E+04 4.65785213E+00 4.41475567E+00-5.51349381E-03 2.18470808E-05 3 -2.34089450E-08 8.48772577E-12 1.84034839E+04 3.21728174E+00 1.96254500E+04 4 CHF2 RUS 79C 1H 1F 2 0G 200.000 6000.000 1000. 1 0.58958702E+01 0.37705626E-02-0.13837102E-05 0.22663348E-09-0.13705690E-13 2 -0.32778360E+05-0.42892918E+01 0.30342605E+01 0.75276516E-02 0.55750157E-05 3 -0.14409464E-07 0.67681867E-11-0.31812224E+05 0.11424782E+02-0.30549004E+05 4 CHF3 FLUOROFORM T 9/99C 1H 1F 3 0G 200.000 6000.000 1000. 1 7.24608934E+00 5.42386589E-03-2.02314469E-06 3.34946550E-10-2.04067622E-14 2 -8.63258021E+04-1.17996156E+01 2.73539118E+00 8.72479733E-03 1.74821274E-05 3 -3.21504458E-08 1.41694802E-11-8.46839563E+04 1.35866083E+01-8.33830015E+04 4 HCN L 7/88H 1C 1N 1 0G 200.000 6000.000 1000. 1 0.38022392E+01 0.31464227E-02-0.10632185E-05 0.16619757E-09-0.97997567E-14 2 0.14910512E+05 0.15754601E+01 0.22589885E+01 0.10051170E-01-0.13351763E-04 3 0.10092349E-07-0.30089029E-11 0.15215853E+05 0.89164418E+01 0.16236675E+05 4 HNC L11/92H 1N 1C 1 0G 200.000 6000.000 1000. 1 4.22248103E+00 2.59458278E-03-8.58480969E-07 1.30745002E-10-7.50339765E-15 2 2.20127593E+04-7.79447358E-02 2.30186735E+00 1.54157529E-02-3.13262156E-05 3 3.08816551E-08-1.11912353E-11 2.22277183E+04 8.14751135E+00 2.33781812E+04 4 HNCO T 6/94H 1N 1C 1O 1G 200.000 6000.000 1000. 1 0.52936894E+01 0.40307770E-02-0.14130589E-05 0.22445562E-09-0.13287683E-13 2 -0.15973489E+05-0.30864710E+01 0.22432188E+01 0.14491349E-01-0.15236174E-04 3 0.83345851E-08-0.17104033E-11-0.15233708E+05 0.12157321E+02-0.14039745E+05 4 CHN2 T 3/93C 1H 1N 2 0G 200.000 6000.000 1000. 1 0.58470159E+01 0.36667998E-02-0.13120636E-05 0.21135472E-09-0.12636470E-13 2 0.36343577E+05-0.49756817E+01 0.31861199E+01 0.10792062E-01-0.74954818E-05 3 0.14780067E-08 0.43976323E-12 0.37095838E+05 0.88362660E+01 0.38462359E+05 4 CH(NO2)3 T04/98C 1H 1O 6N 3G 200.000 6000.000 1000. 1 1.96645029E+01 9.80273423E-03-3.99278141E-06 6.90498702E-10-4.31223139E-14 2 -9.12328532E+03-6.52887368E+01 1.66436817E+00 6.81055678E-02-7.81450689E-05 3 4.46832013E-08-1.01862362E-11-4.52669105E+03 2.56966436E+01-1.61029333E+03 4 CHO T 5/03C 1.H 1.O 1. 0.G 200.000 6000.000 1000. 1 3.92001542E+00 2.52279324E-03-6.71004164E-07 1.05615948E-10-7.43798261E-15 2 3.65342928E+03 3.58077056E+00 4.23754610E+00-3.32075257E-03 1.40030264E-05 3 -1.34239995E-08 4.37416208E-12 3.87241185E+03 3.30834869E+00 5.08749163E+03 4 CHO+ J12/70H 1C 1O 1E -1G 300.000 5000.000 1000. 1 0.37411880E+01 0.33441517E-02-0.12397121E-05 0.21189388E-09-0.13704150E-13 2 0.98884078E+05 0.20654768E+01 0.24739736E+01 0.86715590E-02-0.10031500E-04 3 0.67170527E-08-0.17872674E-11 0.99146608E+05 0.81625751E+01 0.10019345E+06 4 COH IU5/03C 1.H 1.O 1. 0.G 200.000 6000.000 1000. 1 4.23892214E+00 1.96576170E-03-3.82075171E-07 4.80137647E-11-3.11176347E-15 2 2.47261645E+04 1.99698242E+00 4.36380907E+00-5.35204137E-03 2.31954508E-05 3 -2.66109040E-08 1.02711962E-11 2.50108717E+04 2.98106307E+00 2.62312512E+04 4 COOH RUS 79C 1O 2H 1 0G 200.000 6000.000 1000. 1 0.53920264E+01 0.41122622E-02-0.14819726E-05 0.23988016E-09-0.14390635E-13 2 -0.27670863E+05-0.22350810E+01 0.29220825E+01 0.76245184E-02 0.32988630E-05 3 -0.10713524E-07 0.51158655E-11-0.26838359E+05 0.11292583E+02-0.25617866E+05 4 HCOO* Radical T04/97H 1C 1O 2 0G 298.150 5000.000 1000. 1 5.97791811E+00 3.24247847E-03-1.46666291E-06 2.91808902E-10-2.10704956E-14 2 -2.04910217E+04-7.12854015E+00-3.01936623E+01 2.54607495E-01-6.43484728E-04 3 6.92943698E-07-2.65871657E-10-1.59887826E+04 1.47958586E+02-1.81158000E+04 4 HCS T05/97H 1C 1S 1 0G 200.000 6000.000 1000. 1 3.61707294E+00 3.87413811E-03-1.52693796E-06 2.56534366E-10-1.56455118E-14 2 3.48552427E+04 6.60648943E+00 3.51963223E+00 2.08544960E-03 6.12130414E-06 3 -9.93060979E-09 4.40938577E-12 3.49593934E+04 7.53361036E+00 3.61380016E+04 4 CH2 SINGLET IU3/03C 1.H 2. 0. 0.G 200.000 6000.000 1000. 1 3.13501686E+00 2.89593926E-03-8.16668090E-07 1.13572697E-10-6.36262835E-15 2 5.05040504E+04 4.06030621E+00 4.19331325E+00-2.33105184E-03 8.15676451E-06 3 -6.62985981E-09 1.93233199E-12 5.03662246E+04-7.46734310E-01 5.15724919E+04 4 CH2 TRIPLET IU3/03C 1.H 2. 0. 0.G 200.000 6000.000 1000. 1 3.14631886E+00 3.03671259E-03-9.96474439E-07 1.50483580E-10-8.57335515E-15 2 4.60412605E+04 4.72341711E+00 3.71757846E+00 1.27391260E-03 2.17347251E-06 3 -3.48858500E-09 1.65208866E-12 4.58723866E+04 1.75297945E+00 4.70502772E+04 4 CH2 EQUILIBRIUM IU3/03C 1.H 2. 0. 0.G 200.000 6000.000 1000. 1 3.11049513E+00 3.73779517E-03-1.37371977E-06 2.23054839E-10-1.33567178E-14 2 4.59715953E+04 4.62796405E+00 3.84261832E+00-7.36676871E-06 6.16970693E-06 3 -6.96689962E-09 2.64620979E-12 4.58631528E+04 1.27584470E+00 4.70502772E+04 4 CH2BRCL HALON1011 RUS 79C 1H 2BR 1CL 1G 200.000 6000.000 1000. 1 0.65082153E+01 0.57744846E-02-0.20744896E-05 0.33492192E-09-0.20051184E-13 2 -0.79549405E+04-0.49946731E+01 0.30310057E+01 0.10607707E-01 0.63407360E-05 3 -0.18341110E-07 0.88847421E-11-0.68113680E+04 0.13983350E+02-0.54122251E+04 4 CH2Br2 T09/04C 1.BR 2.H 2. 0.G 200.000 6000.000 1000. 1 6.67087098E+00 5.51238897E-03-1.95323046E-06 3.12443170E-10-1.85854530E-14 2 -1.94784246E+03-4.98511911E+00 3.07810878E+00 1.23681783E-02 8.40317756E-07 3 -1.25546148E-08 6.79189724E-12-8.59489686E+02 1.41666382E+01 5.93795666E+02 4 CH2CL L 8/84C 1H 2CL 1 0G 300.000 5000.000 1000. 1 0.47707529E 01 0.43237582E-02-0.14223033E-05 0.20599472E-09-0.10714865E-13 2 0.12277027E 05 0.46459579E 00 0.33185844E 01 0.65915734E-02 0.10332604E-06 3 -0.43136268E-08 0.21676541E-11 0.12780980E 05 0.84271412E 01 0.14056558E 05 4 CH2CLF GC-31 P12/75C 1H 2CL 1F 1G 298.150 5000.000 1000. 1 0.59572783E 01 0.60879700E-02-0.20813759E-05 0.31346215E-09-0.17084878E-13 2 -0.34280781E 05-0.48930445E 01 0.20975533E 01 0.12551896E-01 0.27147036E-06 3 -0.91319841E-08 0.44713573E-11-0.32973617E 05 0.16155014E 02-0.31803671E 05 4 CH2CL2 P12/81C 1H 2CL 2 0G 298.150 5000.000 1000. 1 0.64991283E 01 0.55672340E-02-0.18887449E-05 0.28233393E-09-0.15256869E-13 2 -0.14048813E 05-0.70247154E 01 0.23626127E 01 0.13885532E-01-0.20872167E-05 3 -0.86656158E-08 0.49494315E-11-0.12761230E 05 0.15071752E 02-0.11473476E 05 4 CH2DNO2 T04/98 WARNING! G 200.000 6000.000 1000. 1 7.42983565E+00 1.02242244E-02-3.76339564E-06 6.17531100E-10-3.73902847E-14 2 -9.68557204E+03-1.23529524E+01 3.23582229E+00 6.54117396E-03 3.47848512E-05 3 -5.08832580E-08 2.07922157E-11-7.79017302E+03 1.29867207E+01-6.31809439E+03 4 CH2D2 T05/79C 1H 2D 2 0G 300.000 5000.000 1000. 1 0.35087013E+01 0.81863180E-02-0.27852266E-05 0.41648370E-09-0.22470558E-13 2 -0.11595125E+05 0.18880228E+01 0.23866291E+01 0.57553649E-02 0.64751221E-05 3 -0.67107635E-08 0.13974620E-11-0.10846535E+05 0.94605669E+01-0.98322090E+04 4 CH2F RUS 79C 1H 2F 1 0G 200.000 6000.000 1000. 1 0.40610825E+01 0.52432553E-02-0.18726751E-05 0.30101543E-09-0.17961659E-13 2 -0.54531615E+04 0.34407775E+01 0.39006976E+01 0.18878812E-03 0.14670620E-04 3 -0.17625373E-07 0.65799837E-11-0.51179668E+04 0.56574728E+01-0.38486934E+04 4 CH2F2 FC-32 T 9/99C 1H 2F 2 0G 200.000 6000.000 1000. 1 5.06948195E+00 7.23193135E-03-2.64021025E-06 4.30854708E-10-2.59873096E-14 2 -5.67270077E+04-2.34590394E+00 4.25023157E+00-6.84861262E-03 4.85583334E-05 3 -5.83442752E-08 2.24503933E-11-5.57351602E+04 5.76716418E+00-5.44480432E+04 4 H2CN RADICAL T05/97H 2C 1N 1 0G 200.000 6000.000 1000. 1 3.80315523E+00 5.47197456E-03-1.95314927E-06 3.13362513E-10-1.86249463E-14 2 2.73218196E+04 3.31721893E+00 3.97799541E+00-3.43275678E-03 2.59134226E-05 3 -3.04692133E-08 1.16272702E-11 2.76769528E+04 4.43029598E+00 2.88846366E+04 4 HCNH trans T05/97H 2C 1N 1 0G 200.000 6000.000 1000. 1 4.04014620E+00 5.16591818E-03-1.82276886E-06 2.90299166E-10-1.71614663E-14 2 3.42988370E+04 2.58896150E+00 3.97114548E+00-3.88875657E-03 2.92918929E-05 3 -3.57482385E-08 1.40303899E-11 3.47237453E+04 5.06390351E+00 3.59296699E+04 4 HCNH cis T05/97H 2C 1N 1 0G 200.000 6000.000 1000. 1 4.21964804E+00 5.00385006E-03-1.76392053E-06 2.80725924E-10-1.65851919E-14 2 3.67706419E+04 1.67138658E+00 3.68324269E+00-1.38553482E-03 2.40042191E-05 3 -3.11573905E-08 1.25791818E-11 3.72527355E+04 6.21248890E+00 3.84457533E+04 4 H2NCO T09/96H 2N 1C 1O 1G 200.000 6000.000 1000. 1 0.57886741E+01 0.60938325E-02-0.21165797E-05 0.33404486E-09-0.19684582E-13 2 -0.50210948E+04-0.44063740E+01 0.35677914E+01 0.10193381E-01-0.15289951E-05 3 -0.47571551E-08 0.26052647E-11-0.42980380E+04 0.75824281E+01-0.28029168E+04 4 CH2NO CH2=N-O* T 9/96C 1H 2N 1O 1G 200.000 6000.000 1000. 1 0.61088065E+01 0.61700384E-02-0.22263482E-05 0.36051980E-09-0.21629499E-13 2 0.18374401E+05-0.74217824E+01 0.31022300E+01 0.63256777E-02 0.18394585E-04 3 -0.30856607E-07 0.13425502E-10 0.19544369E+05 0.99247330E+01 0.20858331E+05 4 H2CNO H2C*N=O T 9/96H 2C 1N 1O 1G 200.000 6000.000 1000. 1 0.54028152E+01 0.69057001E-02-0.25162977E-05 0.41014066E-09-0.24718300E-13 2 0.24528690E+05-0.44574262E+01 0.38781858E+01-0.66530886E-02 0.53947610E-04 3 -0.68176813E-07 0.27181746E-10 0.25716857E+05 0.74618774E+01 0.26932156E+05 4 *CH2NO2 RADICAL T04/98C 1H 2N 1O 2G 200.000 6000.000 1000. 1 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 *CH2ONO2 RADICAL T05/98C 1H 2O 3N 1G 200.000 6000.000 1000. 1 1.03913885E+01 7.66103917E-03-3.02728077E-06 5.16124915E-10-3.19767406E-14 2 7.78486241E+03-2.54151556E+01 2.98654023E+00 2.47990510E-02-1.17175684E-05 3 -5.36820166E-09 4.80947389E-12 1.00202588E+04 1.36939353E+01 1.19010741E+04 4 CH2N2 CYANAMIDE T 3/93C 1H 2N 2 0G 200.000 6000.000 1000. 1 0.54262217E+01 0.63845441E-02-0.22119323E-05 0.34832646E-09-0.20489145E-13 2 0.14263617E+05-0.33915332E+01 0.24205497E+01 0.17026593E-01-0.17728435E-04 3 0.11218736E-07-0.30107729E-11 0.15000886E+05 0.11611217E+02 0.16343471E+05 4 H2CN2 HN=C=NH T 3/93H 2C 1N 2 0G 200.000 6000.000 1000. 1 0.64734743E+01 0.51023160E-02-0.17738598E-05 0.28010178E-09-0.16511234E-13 2 0.15445903E+05-0.93929437E+01 0.16502481E+01 0.17225336E-01-0.62645743E-05 3 -0.90652062E-08 0.65197171E-11 0.16733605E+05 0.15528105E+02 0.17921055E+05 4 CH2N2 H2C=N=N T 3/93C 1H 2N 2 0G 200.000 6000.000 1000. 1 0.56157835E+01 0.65328561E-02-0.23376828E-05 0.37633930E-09-0.22483577E-13 2 0.32222744E+05-0.54835013E+01 0.25553699E+01 0.15039976E-01-0.11279972E-04 3 0.45140426E-08-0.66460339E-12 0.33104359E+05 0.10402408E+02 0.34443671E+05 4 H2CN2 CY T 3/93H 2C 1N 2 0G 200.000 6000.000 1000. 1 0.49500072E+01 0.73057703E-02-0.26589670E-05 0.43302613E-09-0.26081126E-13 2 0.36251846E+05-0.28322509E+01 0.40367917E+01-0.75951605E-02 0.53236385E-04 3 -0.65261005E-07 0.25586745E-10 0.37284686E+05 0.59240768E+01 0.38504126E+05 4 CH2(NO2)2 T10/98C 1H 2N 2O 4G 200.000 6000.000 1000. 1 1.14912019E+01 1.18834901E-02-4.59405883E-06 7.73301202E-10-4.75226143E-14 2 -1.22791660E+04-2.79393135E+01 2.13762234E+00 3.16667350E-02-1.09883048E-05 3 -1.02396987E-08 6.93005788E-12-9.32805967E+03 2.20134081E+01-7.39728499E+03 4 CH2O L 8/88H 2C 1O 1 0G 200.000 6000.000 1000. 1 0.31694807E+01 0.61932742E-02-0.22505981E-05 0.36598245E-09-0.22015410E-13 2 -0.14478425E+05 0.60423533E+01 0.47937036E+01-0.99081518E-02 0.37321459E-04 3 -0.37927902E-07 0.13177015E-10-0.14308955E+05 0.60288702E+00-0.13059098E+05 4 HCOOH FORMIC ACID L 8/88H 2C 1O 2 0G 200.000 6000.000 1000. 1 0.46138316E+01 0.64496364E-02-0.22908251E-05 0.36716047E-09-0.21873675E-13 2 -0.47514850E+05 0.84788383E+00 0.38983616E+01-0.35587795E-02 0.35520538E-04 3 -0.43849959E-07 0.17107769E-10-0.46770609E+05 0.73495397E+01-0.45531246E+05 4 H2CS T05/97H 2C 1S 1 0G 200.000 6000.000 1000. 1 4.18881491E+00 5.12826276E-03-1.86326118E-06 3.12838130E-10-1.93704551E-14 2 1.20948373E+04 2.65102700E+00 3.98890561E+00-4.48092826E-03 3.23152359E-05 3 -3.98563874E-08 1.57804583E-11 1.25888504E+04 5.99167863E+00 1.37931688E+04 4 CH3 IU0702C 1.H 3. 0. 0.G 200.000 6000.000 1000. 1 0.29781206E+01 0.57978520E-02-0.19755800E-05 0.30729790E-09-0.17917416E-13 2 0.16509513E+05 0.47224799E+01 0.36571797E+01 0.21265979E-02 0.54583883E-05 3 -0.66181003E-08 0.24657074E-11 0.16422716E+05 0.16735354E+01 0.17643935E+05 4 CH3+ A12/04C 1.H 3.E -1. 0.G 200.000 6000.000 1000. 1 2.41723886E+00 6.40287629E-03-2.21301978E-06 3.46738910E-10-2.02364572E-14 2 1.31474291E+05 6.78764161E+00 4.73043702E+00-8.66259820E-03 3.12269215E-05 3 -3.13568798E-08 1.09957173E-11 1.31269897E+05-3.03197684E+00 1.32514363E+05 4 CH3Br T09/04C 1.BR 1.H 3. 0.G 200.000 6000.000 1000. 1 4.14293955E+00 7.61096796E-03-2.67015354E-06 4.24035809E-10-2.50883825E-14 2 -6.20545949E+03 3.21432559E+00 3.61367184E+00-8.86540422E-04 2.94669395E-05 3 -3.76504049E-08 1.49390354E-11-5.61401651E+03 8.24978857E+00-4.38301716E+03 4 CH3CL P12/81C 1H 3CL 1 0G 298.150 5000.000 1000. 1 0.42952986E 01 0.72846822E-02-0.24161191E-05 0.35205838E-09-0.18406185E-13 2 -0.11793465E 05 0.84613889E 00 0.20672445E 01 0.92091523E-02 0.30426054E-05 3 -0.80342062E-08 0.32127443E-11-0.10896883E 05 0.13570794E 02-0.98581315E 04 4 CH3F FC-41 T 9/99C 1H 3F 1 0G 200.000 6000.000 1000. 1 3.31347981E+00 8.60493589E-03-3.08660894E-06 4.97647344E-10-2.97594910E-14 2 -3.02697942E+04 5.79751939E+00 5.03608987E+00-1.46102699E-02 6.05960722E-05 3 -6.59416863E-08 2.42194887E-11-2.98523780E+04 1.35614834E+00-2.85837650E+04 4 CH3Hg T04/04C 1.H 3.HG 1. 0.G 200.000 6000.000 1000. 1 4.65149496E+00 7.06884557E-03-2.45450648E-06 3.86970344E-10-2.27759227E-14 2 2.07368599E+04 2.31971273E+00 3.28241059E+00 5.11441711E-03 1.41087840E-05 3 -2.24934858E-08 9.61790250E-12 2.13540400E+04 1.06664448E+01 2.26447500E+04 4 CH3I F /96C 1H 3I 1 0G 298.150 5000.000 1000. 1 0.44399700E+01 0.74063910E-02-0.25920500E-05 0.42225410E-09-0.26409380E-13 2 -0.16279930E+03 0.36558230E+01 0.17434270E+01 0.14097480E-01-0.77412710E-05 3 0.13058320E-08-0.23956110E-12 0.63051720E+03 0.17805380E+02 0.17194529E+04 4 CH3N (H2C=NH) A12/04H 3C 1N 1 0G 200.000 6000.000 1000. 1 3.44258358E+00 8.37600036E-03-2.97819078E-06 4.77352867E-10-2.84295062E-14 2 8.40771949E+03 3.95595397E+00 4.79302577E+00-1.26841692E-02 5.69766521E-05 3 -6.34985251E-08 2.37023330E-11 8.85023146E+03 1.10277996E+00 1.01045906E+04 4 CH3N Rad Triplet T09/02C 1.H 3.N 1. 0.G 200.000 6000.000 1000. 1 3.87089545E+00 8.06655623E-03-2.88308619E-06 4.63684328E-10-2.76798680E-14 2 3.66638224E+04 2.20205412E+00 4.12709842E+00-6.90751866E-03 4.47642885E-05 3 -5.27068881E-08 2.02133898E-11 3.72566278E+04 4.24591096E+00 3.84809784E+04 4 CH3NO T12/92C 1H 3N 1O 1G 200.000 6000.000 1000. 1 0.50677397E+01 0.93871079E-02-0.33958317E-05 0.55076729E-09-0.33095301E-13 2 0.71852464E+04-0.10709779E+01 0.52463494E+01-0.68175691E-02 0.46713959E-04 3 -0.53482743E-07 0.19916692E-10 0.79241319E+04 0.18687355E+01 0.95017371E+04 4 OCHNH2 T12/92N 1C 1H 3O 1G 200.000 6000.000 1000. 1 0.50996641E+01 0.96197778E-02-0.33675100E-05 0.52625772E-09-0.30639100E-13 2 -0.25835964E+05-0.22514334E+01 0.31136723E+01 0.29491209E-02 0.32396676E-04 3 -0.44756760E-07 0.18144841E-10-0.24750380E+05 0.10806345E+02-0.23484619E+05 4 CH2NOH T12/92C 1H 3N 1O 1G 200.000 6000.000 1000. 1 0.61695525E+01 0.84795279E-02-0.29867632E-05 0.47595261E-09-0.28239453E-13 2 0.88797203E+03-0.86718905E+01 0.25862255E+01 0.10725212E-01 0.14452581E-04 3 -0.28351956E-07 0.12697967E-10 0.21970777E+04 0.11543250E+02 0.35225167E+04 4 NCH3O T12/92N 1C 1H 3O 1G 200.000 6000.000 1000. 1 0.47124724E+01 0.10365763E-01-0.37841833E-05 0.60778864E-09-0.36085700E-13 2 -0.20246735E+05-0.47729078E+00 0.43010649E+01-0.11793465E-01 0.73237860E-04 3 -0.88185655E-07 0.34305951E-10-0.19099774E+05 0.70251243E+01-0.17852618E+05 4 H3CNO T12/92H 3C 1N 1O 1G 200.000 6000.000 1000. 1 0.51586790E+01 0.95358020E-02-0.33500983E-05 0.53311574E-09-0.31736144E-13 2 0.45908024E+04-0.32378122E+01 0.39607020E+01-0.82834871E-02 0.64408406E-04 3 -0.79465373E-07 0.31225515E-10 0.58604280E+04 0.78294069E+01 0.70998839E+04 4 CH3NO2 T01/00C 1H 3N 1O 2G 200.000 6000.000 1000. 1 6.73034758E+00 1.09601272E-02-4.05357875E-06 6.67102246E-10-4.04686823E-14 2 -1.29143475E+04-1.01800883E+01 3.54053638E+00 1.86559899E-03 4.44946580E-05 3 -5.87057133E-08 2.30684496E-11-1.11385976E+04 1.06884657E+01-9.71208165E+03 4 CH3ONO2 T05/98C 1H 3N 1O 3G 200.000 6000.000 1000. 1 9.77845489E+00 1.10069541E-02-4.25928645E-06 7.18198185E-10-4.42041793E-14 2 -1.88804487E+04-2.39163197E+01 3.91363583E+00 1.52137945E-02 1.73479131E-05 3 -3.37074473E-08 1.44322204E-11-1.66103232E+04 9.44208392E+00-1.46737980E+04 4 CH3N2 CH3N=N* T 9/96C 1H 3N 2 0G 200.000 6000.000 1000. 1 0.57393539E+01 0.92314020E-02-0.33396566E-05 0.54160230E-09-0.32522545E-13 2 0.27235968E+05-0.53905119E+01 0.46506054E+01-0.14932994E-02 0.37619849E-04 3 -0.46522472E-07 0.17885496E-10 0.28216313E+05 0.35837652E+01 0.29785394E+05 4 CH3N3 MethylAzyd A11/04C 1.H 3.N 3. 0.G 200.000 6000.000 1000. 1 6.41280183E+00 1.07448898E-02-3.85726225E-06 6.22339742E-10-3.72381596E-14 2 3.29519708E+04-6.94516757E+00 4.37960260E+00 7.61069318E-03 1.69547382E-05 3 -2.46175363E-08 9.55803332E-12 3.40058496E+04 5.84234573E+00 3.57555570E+04 4 CH3O METHOXY RAD IU1/03C 1.H 3.O 1. 0.G 200.000 6000.000 1000. 1 4.75779238E+00 7.44142474E-03-2.69705176E-06 4.38090504E-10-2.63537098E-14 2 3.90139164E+02-1.96680028E+00 3.71180502E+00-2.80463306E-03 3.76550971E-05 3 -4.73072089E-08 1.86588420E-11 1.30772484E+03 6.57240864E+00 2.53773223E+03 4 CH2OH RADICAL IU2/03C 1.H 3.O 1. 0.G 200.000 6000.000 1000. 1 5.09312037E+00 5.94758550E-03-2.06496524E-06 3.23006703E-10-1.88125052E-14 2 -4.05813228E+03-1.84690613E+00 4.47832317E+00-1.35069687E-03 2.78483707E-05 3 -3.64867397E-08 1.47906775E-11-3.52476728E+03 3.30911984E+00-2.06867272E+03 4 CH3OD Methanol d1 T06/02C 1.H 3.O 1.D 1.G 200.000 6000.000 1000. 1 3.76904744E+00 1.04379143E-02-3.74701222E-06 6.04357037E-10-3.61480018E-14 2 -2.66333524E+04 3.94139691E+00 5.23836494E+00-1.25811165E-02 6.09285288E-05 3 -6.76337252E-08 2.50761065E-11-2.61145985E+04 9.40935211E-01-2.46954899E+04 4 CH3OO PEROX RAD T04/02C 1.H 3.O 2. 0.G 200.000 6000.000 1000. 1 5.92505819E+00 9.00194542E-03-3.24254309E-06 5.24362718E-10-3.14263003E-14 2 -1.53258958E+03-4.93669747E+00 4.76597792E+00-3.51077148E-03 4.54394152E-05 3 -5.66763729E-08 2.21591482E-11-4.82401289E+02 4.76095141E+00 1.08244503E+03 4 CH3S Radical IU3/03H 3.C 1.S 1. 0.G 200.000 6000.000 1000. 1 4.62809340E+00 7.50242892E-03-2.70631691E-06 4.37671177E-10-2.61526827E-14 2 1.30328459E+04 4.15868210E-02 2.56437070E+00 1.15796385E-02-4.50119584E-06 3 -5.02342418E-10 6.95252997E-13 1.37469790E+04 1.12504946E+01 1.49857923E+04 4 CH4 RRHO J 5/61C 1H 4 0 0G 300.000 5000.000 1000. 1 0.23594046E 01 0.87309405E-02-0.28397053E-05 0.40459835E-09-0.20527095E-13 2 -0.10288820E 05 0.60290012E 01 0.29283962E 01 0.25691092E-02 0.78437060E-05 3 -0.49102979E-08 0.20380030E-12-0.10054172E 05 0.46342220E 01-0.89722666E+04 4 CH4 ANHARMONIC L 8/88C 1H 4 0 0G 200.000 6000.000 1000. 1 0.16354256E+01 0.10084431E-01-0.33692369E-05 0.53497280E-09-0.31552817E-13 2 -0.10005603E+05 0.99936953E+01 0.51498792E+01-0.13671008E-01 0.49180130E-04 3 -0.48474403E-07 0.16669441E-10-0.10246648E+05-0.46413244E+01-0.89722666E+04 4 CH4N CH3NH* T 9/96C 1H 4N 1 0G 200.000 6000.000 1000. 1 0.43023153E+01 0.10277337E-01-0.36593760E-05 0.58702457E-09-0.34979453E-13 2 0.20473126E+05 0.13025403E+00 0.47462749E+01-0.71705198E-02 0.50242579E-04 3 -0.58589231E-07 0.22243219E-10 0.21124201E+05 0.17162390E+01 0.22559203E+05 4 CH4N CH2NH2 A10/04C 1.H 4.N 1. 0.G 200.000 6000.000 1000. 1 5.25073259E+00 8.44869513E-03-2.88246667E-06 4.49128757E-10-2.62206805E-14 2 1.61865807E+04-3.71361484E+00 2.77841738E+00 6.26037288E-03 2.29355197E-05 3 -3.62922633E-08 1.55578225E-11 1.72156009E+04 1.09949826E+01 1.84604986E+04 4 (NH2)2C=O Urea T10/99C 1H 4N 2O 1G 200.000 6000.000 1000. 1 8.96505812E+00 1.08623207E-02-3.73612748E-06 5.85618314E-10-3.43401569E-14 2 -3.19075377E+04-2.11968192E+01 1.27019759E+00 3.79235458E-02-4.13652154E-05 3 2.49128013E-08-6.09879982E-12-3.00691642E+04 1.71177671E+01-2.83239782E+04 4 Nitroguanidine T10/99C 1H 4N 4O 2G 298.150 5000.000 1000. 1 1.38288509E+01 1.52703007E-02-5.55748705E-06 9.62860873E-10-6.41418016E-14 2 -5.38226605E+03-4.25512674E+01 5.74393403E-01 6.18916652E-02-7.09491928E-05 3 4.52102784E-08-1.22867606E-11-2.25858616E+03 2.33882854E+01 1.20271670E+02 4 CH3OH(L) P12/87C 1H 4O 1 0L 200.000 468.000 468. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 5.88066591E+00 5.00819112E-02-3.53131418E-04 3 1.00311460E-06-7.91670649E-10-3.12023523E+04-2.47332972E+01-2.87341748E+04 4 CH3OH Metanol T06/02C 1.H 4.O 1. 0.G 200.000 6000.000 1000. 1 3.52726795E+00 1.03178783E-02-3.62892944E-06 5.77448016E-10-3.42182632E-14 2 -2.60028834E+04 5.16758693E+00 5.65851051E+00-1.62983419E-02 6.91938156E-05 3 -7.58372926E-08 2.80427550E-11-2.56119736E+04-8.97330508E-01-2.41746056E+04 4 CH4O2 PEROXYMETHANT 8/03C 1.H 4.O 2. 0.G 200.000 6000.000 1000. 1 6.49360804E+00 1.03400671E-02-3.73985876E-06 6.05481871E-10-3.62056949E-14 2 -1.95221642E+04-7.65508938E+00 4.42249605E+00 4.59735047E-03 2.91523785E-05 3 -4.14707389E-08 1.69616064E-11-1.84242802E+04 5.72419729E+00-1.67177621E+04 4 CH4S T 4/93C 1H 4S 1 0G 200.000 6000.000 1000. 1 0.46777426E+01 0.95699729E-02-0.34209825E-05 0.55016476E-09-0.32838372E-13 2 -0.48206134E+04 0.10108699E+01 0.42867053E+01-0.12993254E-04 0.29820894E-04 3 -0.37118619E-07 0.14368072E-10-0.41817048E+04 0.56301215E+01-0.27073057E+04 4 CH5N T09/81C 1H 5N 1 0G 300.000 5000.000 1000. 1 0.44235811E+01 0.11449948E-01-0.36999727E-05 0.52389848E-09-0.26375054E-13 2 -0.49847539E+04-0.41469345E+00 0.27267694E+01 0.10014653E-01 0.67409546E-05 3 -0.98750093E-08 0.30637376E-11-0.40688989E+04 0.10215076E+02-0.27676911E+04 4 CH5N2 CH3N*NH2 T 9/96C 1H 5N 2 0G 200.000 6000.000 1000. 1 0.62727186E+01 0.13750206E-01-0.48829875E-05 0.78213769E-09-0.46564024E-13 2 0.22861878E+05-0.96381311E+01 0.42113439E+01 0.34130124E-02 0.41788037E-04 3 -0.55495848E-07 0.21958966E-10 0.24203232E+05 0.48609693E+01 0.25880433E+05 4 CH5N4 GUANIDINE T10/99C 1H 5N 3 0G 200.000 6000.000 1000. 1 8.64673050E+00 1.38037583E-02-4.78895966E-06 7.55059297E-10-4.44582536E-14 2 -5.52365417E+03-2.09594729E+01 2.30997765E+00 2.84093787E-02-1.07395307E-05 3 -7.11224938E-09 5.50455394E-12-3.64916310E+03 1.24181134E+01-1.80407504E+03 4 CH3-NH-NH2 A10/04C 1.H 6.N 2. 0.G 200.000 6000.000 1000. 1 6.63737309E+00 1.56702023E-02-5.47121574E-06 8.65945432E-10-5.11109616E-14 2 9.95613633E+03-1.05806558E+01 3.36546357E+00 9.16487019E-03 4.07415430E-05 3 -6.18270852E-08 2.62064026E-11 1.14982139E+04 9.75314576E+00 1.31591158E+04 4 CI4 T07/03C 1.I 4. 0. 0.G 200.000 6000.000 1000. 1 1.23995148E+01 6.31312113E-04-2.51112588E-07 4.33028327E-11-2.71172423E-15 2 2.74438944E+04-2.41335716E+01 6.28824380E+00 3.15849627E-02-6.20355760E-05 3 5.59794766E-08-1.89968017E-11 2.84879357E+04 4.12330502E+00 3.13202053E+04 4 CN IU8/03C 1.N 1. 0. 0.G 200.000 6000.000 1000. 1 3.39912850E+00 7.46548662E-04-1.41493852E-07 1.86747736E-11-1.26032540E-15 2 5.16569715E+04 4.67148681E+00 3.61256069E+00-9.53015737E-04 2.13757271E-06 3 -3.05001808E-10-4.70518097E-13 5.17084034E+04 3.98238722E+00 5.27611901E+04 4 CNO T 6/94C 1N 1O 1 0G 200.000 6000.000 1000. 1 0.51075979E+01 0.23371500E-02-0.88984637E-06 0.14920037E-09-0.91663122E-14 2 0.14024945E+05-0.22908127E+01 0.27405490E+01 0.95089992E-02-0.10338762E-04 3 0.68805052E-08-0.20963552E-11 0.14690320E+05 0.98908197E+01 0.15851325E+05 4 CNN RUS 79C 1N 2 0 0G 200.000 6000.000 1000. 1 0.41398983E+01 0.38071002E-02-0.14753456E-05 0.24441991E-09-0.14746300E-13 2 0.46790796E+05 0.32444306E+01 0.27584988E+01 0.12901042E-01-0.22802003E-04 3 0.21393697E-07-0.75499090E-11 0.46953824E+05 0.91902188E+01 0.48186940E+05 4 NCN (NCN) L12/89N 2C 1 0 0G 200.000 6000.000 1000. 1 5.73815514E+00 1.77244606E-03-6.85751131E-07 1.15711980E-10-7.07567907E-15 2 5.82214890E+04-6.30533665E+00 3.24134033E+00 8.50091346E-03-7.61608140E-06 3 3.64986585E-09-8.42551872E-13 5.89477370E+04 6.70956450E+00 6.02315091E+04 4 C(NO2)4 T10/98C 1O 8N 4 0G 200.000 6000.000 1000. 1 2.63028700E+01 9.03437992E-03-3.84962536E-06 6.80136488E-10-4.29929370E-14 2 2.32054355E+02-9.52181326E+01 1.50837189E+00 9.93550200E-02-1.38531389E-04 3 9.75231469E-08-2.77303820E-11 6.08687871E+03 2.77172777E+01 9.90833615E+03 4 CO RUS 79C 1O 1 0 0G 200.000 6000.000 1000. 1 0.30484859E+01 0.13517281E-02-0.48579405E-06 0.78853644E-10-0.46980746E-14 2 -0.14266117E+05 0.60170977E+01 0.35795335E+01-0.61035369E-03 0.10168143E-05 3 0.90700586E-09-0.90442449E-12-0.14344086E+05 0.35084093E+01-0.13293628E+05 4 COS J 3/61C 1O 1S 100 0G 300.000 5000.000 1000. 1 0.52392000E 01 0.24100584E-02-0.96064522E-06 0.17778347E-09-0.12235704E-13 2 -0.18480455E 05-0.30910517E 01 0.24625321E 01 0.11947992E-01-0.13794370E-04 3 0.80707736E-08-0.18327653E-11-0.17803987E 05 0.10792556E 02-0.16646069E-05 4 CO2 L 7/88C 1O 2 0 0G 200.000 6000.000 1000. 1 0.46365111E+01 0.27414569E-02-0.99589759E-06 0.16038666E-09-0.91619857E-14 2 -0.49024904E+05-0.19348955E+01 0.23568130E+01 0.89841299E-02-0.71220632E-05 3 0.24573008E-08-0.14288548E-12-0.48371971E+05 0.99009035E+01-0.47328105E+05 4 CP L 9/93C 1P 1 0 0G 200.000 6000.000 1000. 1 4.16986061E+00-3.33893154E-04 6.30510095E-07-1.65248916E-10 1.25248542E-14 2 6.12121016E+04 2.05762288E+00 3.70291400E+00-2.94026330E-03 1.25263783E-05 3 -1.43948287E-08 5.61955320E-12 6.15029332E+04 5.34971467E+00 8.71534000E+03 4 CS J12/76C 1S 100 000 0G 300.000 5000.000 1000. 1 0.36826012E+01 0.90473203E-03-0.36436374E-06 0.63854294E-10-0.36933982E-14 2 0.32497490E+05 0.38850496E+01 0.34039344E+01-0.65773308E-03 0.61712157E-05 3 -0.73689604E-08 0.27346738E-11 0.32689393E+05 0.58977001E+01 0.33711396E+05 4 CS2 J12/76C 1S 20 00 0G 300.000 5000.000 1000. 1 0.59252610E+01 0.18252996E-02-0.75585380E-06 0.14605073E-09-0.10438595E-13 2 0.12048071E+05-0.60723317E+01 0.28326013E+01 0.13290791E-01-0.18144694E-04 3 0.12831681E-07-0.36800609E-11 0.12766782E+05 0.92087947E+01 0.14064616E+05 4 C2 RUS 79C 2 0 0 0G 200.000 6000.000 1000. 1 0.37913706E+01 0.51650473E-03-0.25486960E-07-0.82263554E-11 0.10086168E-14 2 0.99023059E+05 0.28151802E+01 0.86470550E+00 0.39353120E-01-0.11981818E-03 3 0.13908103E-06-0.55205503E-10 0.98731303E+05 0.11530141E+02 0.99928438E+05 4 C2BR T04/04C 2.BR 1. 0. 0.G 200.000 6000.000 1000. 1 5.63149447E+00 1.35149684E-03-5.17926114E-07 8.72035662E-11-5.37264882E-15 2 7.31493364E+04 2.73049339E+00 3.72784585E+00 8.95599534E-03-1.43282460E-05 3 1.26601774E-08-4.46887642E-12 7.36036331E+04 1.21059784E+01 7.50094762E+04 4 C2BR2 T04/04C 2.BR 2. 0. 0.G 200.000 6000.000 1000. 1 8.39108965E+00 1.99841963E-03-7.46939907E-07 1.23760780E-10-7.54233761E-15 2 3.76118385E+04-1.32670171E+01 4.11906993E+00 2.42469785E-02-4.74614882E-05 3 4.45811398E-08-1.57269122E-11 3.83606241E+04 6.46248110E+00 4.03277836E+04 4 C2BR2F4 T 8/95C 2BR 2F 4 0G 200.000 6000.000 1000. 1 0.16927925E+02 0.52040023E-02-0.21650634E-05 0.37666686E-09-0.23550019E-13 2 -0.10111059E+06-0.69271880E+02 0.43050634E+01 0.50253865E-01-0.66832698E-04 3 0.44622030E-07-0.12028279E-10-0.98117172E+05-0.65395609E+01-0.95107950E+05 4 C2BR3 T11/03C 2.BR 3. 0. 0.G 200.000 6000.000 1000. 1 1.10410172E+01 1.97324973E-03-7.65383213E-07 1.29884873E-10-8.04561971E-15 2 4.26969165E+04-1.96376081E+01 4.22906724E+00 3.26663033E-02-5.79628181E-05 3 5.02432370E-08-1.68050665E-11 4.40592174E+04 1.28181434E+01 4.63512871E+04 4 C2BR4 T11/03C 2.BR 4. 0. 0.G 200.000 6000.000 1000. 1 1.37363260E+01 2.30038169E-03-8.96871866E-07 1.52690680E-10-9.47880890E-15 2 1.82943948E+04-3.32035520E+01 5.56028685E+00 3.66494584E-02-6.05261466E-05 3 4.93947860E-08-1.57953370E-11 2.00189683E+04 6.27251873E+00 2.28611331E+04 4 C2BR5 T11/03C 2.BR 5. 0. 0.G 200.000 6000.000 1000. 1 1.76288893E+01 6.60830066E-04-3.20496475E-07 6.11899398E-11-4.07154671E-15 2 2.83290269E+04-4.82304769E+01 7.27020629E+00 4.31652804E-02-7.08697245E-05 3 5.53591923E-08-1.68986132E-11 3.05063018E+04 1.88590203E+00 3.40677683E+04 4 C2BR6 T11/03C 2.BR 6. 0. 0.G 200.000 6000.000 1000. 1 1.94778939E+01 2.36200538E-03-9.24677034E-07 1.49363153E-10-8.77275567E-15 2 1.36096514E+04-5.73648381E+01 7.93869722E+00 5.44456034E-02-9.44881560E-05 3 7.78030724E-08-2.46434044E-11 1.58083744E+04-2.68266179E+00 1.99025559E+04 4 C2CL RUS 79C 2CL 1 0 0G 200.000 6000.000 1000. 1 0.56234123E+01 0.18105201E-02-0.68417616E-06 0.11416613E-09-0.69911780E-14 2 0.57535699E+05-0.37681711E+01 0.25669685E+01 0.16082406E-01-0.28879777E-04 3 0.26238319E-07-0.91509851E-11 0.58152495E+05 0.10748857E+02 0.59425029E+05 4 C2CL2 TT8/03C 2CL 20 00 0G 300.000 5000.000 1000. 1 0.81728547E 01 0.23659892E-02-0.96552505E-06 0.17736148E-09-0.12135203E-13 2 0.24554808E 05-0.14916744E 02 0.50229482E 01 0.14082667E-01-0.18095669E-04 3 0.11610348E-07-0.28817478E-11 0.25272100E 05 0.59684170E 00 0.27253560E+05 4 C2CL2F4 P 6/89C 2CL 2F 4 0G 200.000 6000.000 1000. 1 0.18371829E+02 0.35022641E-02-0.14461714E-05 0.25677130E-09-0.16390256E-13 2 -0.11490699E+06-0.64188919E+02 0.15529390E+01 0.61192651E-01-0.77774410E-04 3 0.46109224E-07-0.10412101E-10-0.11087452E+06 0.19780366E+02-0.10829261E+06 4 C2CL3 RUS 79C 2CL 3 0 0G 200.000 6000.000 1000. 1 0.10595050E+02 0.24399967E-02-0.95037713E-06 0.16169666E-09-0.10033459E-13 2 0.19234142E+05-0.22503828E+02 0.26913275E+01 0.34419583E-01-0.54507749E-04 3 0.43131421E-07-0.13498250E-10 0.20955741E+05 0.15941066E+02 0.22885293E+05 4 CCl2F-CCLF2 P 6/89C 2CL 3F 3 0G 200.000 6000.000 1000. 1 0.18530350E+02 0.34300395E-02-0.14462044E-05 0.25941090E-09-0.16648746E-13 2 -0.91474377E+05-0.62171585E+02 0.24748737E+01 0.60785666E-01-0.83261974E-04 3 0.55593237E-07-0.14834855E-10-0.87694606E+05 0.17547918E+02-0.84887744E+05 4 C2CL3F3 FC-113A P 6/89C 2CL 3F 3 0G 200.000 6000.000 1000. 1 0.18413343E+02 0.35473766E-02-0.15023623E-05 0.27024166E-09-0.17375093E-13 2 -0.95640066E+05-0.63672664E+02 0.29342707E+01 0.56805544E-01-0.73255691E-04 3 0.45121198E-07-0.10894098E-10-0.91909696E+05 0.13640335E+02-0.89073199E+05 4 C2CL4 TT8/03C 2.CL 4. 0. 0.G 298.150 5000.000 1000. 1 0.12935937E 02 0.34309200E-02-0.15067194E-05 0.29346993E-09-0.21070896E-13 2 -0.73449128E 04-0.34693855E 02 0.41434792E 01 0.37422372E-01-0.54369793E-04 3 0.39112863E-07-0.11176384E-10-0.54009520E 04 0.83314072E 01-0.29105744E 04 4 C2CL5 RUS79 C 2CL 5 0 0G 200.000 6000.000 1000. 1 0.17153955E+02 0.13960259E-02-0.64226587E-06 0.11840383E-09-0.76901280E-14 2 -0.10091822E+04-0.51540891E+02 0.29430292E+01 0.63377422E-01-0.10845541E-03 3 0.87020632E-07-0.26867241E-10 0.17951146E+04 0.16297364E+02 0.46905951E+04 4 C2CL6 TT8/03C 2CL 6 0 0G 298.150 5000.000 1000. 1 0.19034286E 02 0.33956821E-02-0.15115289E-05 0.29700315E-09-0.21453827E-13 2 -0.24210888E 05-0.62866080E 02 0.46383531E 01 0.63365561E-01-0.10080030E-03 3 0.76636922E-07-0.22646550E-10-0.21263598E 05 0.64616440E 01-0.17824261E 05 4 C2D2 T 8/80C 2D 2 0 0G 300.000 5000.000 1000. 1 0.57631445E+01 0.39823391E-02-0.14399011E-05 0.21952536E-09-0.12146185E-13 2 0.24641469E+05-0.92791763E+01 0.37629929E+01 0.83192550E-02-0.22101658E-05 3 -0.40820787E-08 0.27229842E-11 0.25258297E+05 0.13356880E+01 2.6723643 E+04 4 C2D2O T10/82C 2D 2O 1 0G 300.000 5000.000 1000. 1 0.68584700E+01 0.55908523E-02-0.19912059E-05 0.31183456E-09-0.17762101E-13 2 0.21307729E+04-0.11521992E+02 0.34471798E+01 0.11882458E-01-0.17057137E-05 3 -0.64614767E-08 0.35897769E-11 0.32729224E+04 0.69639057E+01 0.48011892E+04 4 C2D4 T12/79C 2D 4 0 0G 300.000 5000.000 1000. 1 0.67207203E 01 0.84912479E-02-0.30327419E-05 0.47564219E-09-0.27109157E-13 2 0.62753809E 03-0.14424983E 02 0.13294621E 01 0.17719518E-01-0.13082199E-05 3 -0.10431190E-07 0.53182406E-11 0.24874675E 04 0.15025264E 02 0.36406234E+04 4 C2OD4 T 8/81C 2D 4O 1 0G 300. 5000. 1000. 1 0.85226345E+01 0.92743672E-02-0.33571869E-05 0.53372684E-09-0.30898383E-13 2 -0.25431613E+05-0.19829504E+02 0.24537258E+01 0.18615011E-01 0.81830109E-06 3 -0.12927025E-07 0.59826883E-11-0.23262375E+05 0.13648181E+02-0.21718827E+05 4 C2D6 T05/80C 2D 6 0 0G 300.000 4000.000 1000. 1 0.87366476E+01 0.11772312E-01-0.42297552E-05 0.66704353E-09-0.38247847E-13 2 -0.17392641E 05-0.25919988E 02 0.81539208E 00 0.24633620E-01 0.28606987E-07 3 -0.16559884E-07 0.79903445E-11-0.14620465E 05 0.17542796E 02-0.13311668E+05 4 C2D6N2 L 8/84C 2D 6N 2 0G 300.000 5000.000 1000. 1 0.13025591E 02 0.13045497E-01-0.47310468E-05 0.75233886E-09-0.43511835E-13 2 0.86393672E 04-0.43220398E 02 0.23340378E 01 0.30852020E-01 0.74860048E-06 3 -0.23019155E-07 0.11133473E-10 0.12308605E 05 0.15217487E 02 0.14341845E 05 4 C2D6O T12/82C 2D 6O 1 0G 300.000 5000.0 1000. 1 0.10630716E+02 0.12416139E-01-0.44895924E-05 0.71285688E-09-0.41213699E-13 2 -0.29983387E+05-0.32492361E+02 0.16130285E+01 0.27251996E-01 0.22420198E-06 3 -0.19127672E-07 0.92674445E-11-0.26856473E+05 0.16893214E+02-0.25195712E+05 4 C2F RUS 79C 2F 1 0 0G 200.000 6000.000 1000. 1 0.52609167E+01 0.21458355E-02-0.80752800E-06 0.13438298E-09-0.82137530E-14 2 0.40747737E+05-0.31423716E+01 0.27021656E+01 0.12793323E-01-0.20443809E-04 3 0.17853370E-07-0.61796555E-11 0.41332714E+05 0.93400394E+01 0.42558732E+05 4 C2F2 J12/67C 2F 2 0 0G 300.000 5000.000 1000. 1 7.51645810E+00 3.16864620E-03-1.33113850E-06 2.49600490E-10-1.73420720E-14 2 -1.61076550E+02-1.50680621E+01 3.53458370E+00 1.44458450E-02-1.21896920E-05 3 3.60429850E-09 1.91189510E-13 9.21335620E+02 5.41946520E+00 2.51676233E+03 4 C2F3 RUS 79C 2F 3 0 0G 200.000 6000.000 1000. 1 0.92799301E+01 0.37264216E-02-0.14403501E-05 0.24385276E-09-0.15080391E-13 2 -0.30844099E+05-0.19232437E+02 0.24146440E+01 0.26829183E-01-0.33928627E-04 3 0.23191119E-07-0.67115453E-11-0.29098292E+05 0.15357683E+02-0.27442988E+05 4 C2F4 FC-1114 J 6/69C 2F 4 0 0G 300.000 5000.000 1000. 1 1.10864680E+01 5.27884290E-03-2.23544000E-06 4.21668460E-10-2.94339140E-14 2 -8.32928840E+04-2.98668810E+01 3.61661830E+00 2.64886180E-02-2.24332660E-05 3 6.22864450E-09 6.21492440E-13-8.12772420E+04 8.52376403E+00-7.92072049E+04 4 C2F5 T01/92C 2F 5 0 0G 200.000 6000.000 1000. 1 0.14093289E+02 0.44836847E-02-0.17454011E-05 0.29629851E-09-0.18397296E-13 2 -0.11234658E+06-0.42296047E+02 0.19562988E+01 0.44980179E-01-0.54414843E-04 3 0.31961057E-07-0.73732181E-11-0.10934658E+06 0.18665321E+02-0.10718515E+06 4 C2F6 FC-116 J 6/69C 2F 6 0 0G 200.000 6000.000 1000. 1 0.16719258E+02 0.49437735E-02-0.19391149E-05 0.32877818E-09-0.20351232E-13 2 -0.16782926E+06-0.59061597E+02 0.13474068E+01 0.53054838E-01-0.56195247E-04 3 0.24584738E-07-0.27593922E-11-0.16394375E+06 0.18739834E+02-0.16163310E+06 4 CF3-O-O-CF3 T10/97C 2F 6O 2 0G 298.150 5000.000 1000. 1 1.87994539E+01 8.78358323E-03-3.68712829E-06 6.99609239E-10-4.92829440E-14 2 -1.88252514E+05-5.97973365E+01 9.11006951E+00 2.71182010E-02-1.23579087E-06 3 -2.30183402E-08 1.25085439E-11-1.85129629E+05-7.65920017E+00-1.81258643E+05 4 C2H ETHYNYL RAD T07/00C 2H 1 0 0G 200.000 6000.000 1000. 1 3.66459586E+00 3.82189487E-03-1.36509398E-06 2.13253692E-10-1.23098939E-14 2 6.72238503E+04 3.91355399E+00 2.90180321E+00 1.32859725E-02-2.80508233E-05 3 2.89300812E-08-1.07446930E-11 6.71171170E+04 6.17234595E+00 6.83770805E+04 4 C2HBr T04/04C 2.H 1.BR 1. 0.G 200.000 6000.000 1000. 1 6.55399311E+00 3.37962726E-03-1.18362410E-06 1.87797808E-10-1.11059116E-14 2 3.17495713E+04-8.20269727E+00 1.10795098E+00 3.21065018E-02-6.02244383E-05 3 5.45400888E-08-1.86034151E-11 3.26428366E+04 1.67414085E+01 3.39671249E+04 4 C2HBr2 Radical T02/04C 2.H 1.BR 2. 0.G 200.000 6000.000 1000. 1 8.72858939E+00 3.86564166E-03-1.40557002E-06 2.28856470E-10-1.37851228E-14 2 3.70537064E+04-1.22420089E+01 3.90735018E+00 2.01719356E-02-2.29185829E-05 3 1.32196024E-08-2.97657283E-12 3.82376740E+04 1.19225925E+01 4.01214648E+04 4 C2HBr3 T02/04C 2.H 1.BR 3. 0.G 200.000 6000.000 1000. 1 1.13478698E+01 4.29311143E-03-1.58086118E-06 2.59583491E-10-1.57282684E-14 2 1.33625344E+04-2.35492301E+01 3.77338993E+00 3.25157387E-02-4.40715090E-05 3 3.06046323E-08-8.51827665E-12 1.51034973E+04 1.38067404E+01 1.73408463E+04 4 C2HBr4 1,1,2,2 T 4/04C 2.BR 4.H 1. 0.G 200.000 3000.000 1000. 1 1.38745109E+01 4.80810756E-03-1.93936784E-06 3.32319457E-10-2.05907756E-14 2 2.15513867E+04-3.10204984E+01 5.82456253E+00 3.51409642E-02-4.79415392E-05 3 3.31941231E-08-9.16313134E-12 2.33820210E+04 8.58650445E+00 2.63182316E+04 4 C2HBr4 1,1,1,2 T 4/04C 2.BR 4.H 1. 0.G 200.000 3000.000 1000. 1 1.45242421E+01 4.14003614E-03-1.67773705E-06 2.87699505E-10-1.78189750E-14 2 2.44628234E+04-3.45778053E+01 5.49522381E+00 4.48390641E-02-7.57903779E-05 3 6.29333811E-08-2.02208694E-11 2.62257310E+04 8.31860465E+00 2.93023064E+04 4 C2HBr5 T02/04C 2.H 1.BR 5. 0.G 200.000 3100.000 1000. 1 1.66081581E+01 5.06290581E-03-2.03596140E-06 3.48536490E-10-2.15900552E-14 2 7.94235843E+03-4.44034839E+01 6.69308019E+00 4.34129740E-02-6.15643594E-05 3 4.36743888E-08-1.22540346E-11 1.01402274E+04 4.11773919E+00 1.36019465E+04 4 C2HCL TT8/03C 2H 1CL 1 0G 200.000 6000.000 1000. 1 0.65309289E+01 0.34106362E-02-0.11975370E-05 0.19036853E-09-0.11274117E-13 2 0.24999035E+05-0.94114463E+01 0.11110549E+01 0.31070093E-01-0.56793918E-04 3 0.50648615E-07-0.17112722E-10 0.25927035E+05 0.15622398E+02 0.27229506E+05 4 C2HCLF 1,1-CLF A12/04C 2.H 1.CL 1.F 1.G 200.000 6000.000 1000. 1 8.50937039E+00 4.01863606E-03-1.45196186E-06 2.35520678E-10-1.41529004E-14 2 9.20079581E+03-1.56313584E+01 7.65226273E-01 3.63165689E-02-5.63440044E-05 3 4.42113186E-08-1.36516970E-11 1.08268804E+04 2.17621692E+01 1.22523194E+04 4 C2HCLF2-1,1 RUS 79C 2F 2H 1CL 1G 200.000 6000.000 1000. 1 0.99982378E+01 0.56213876E-02-0.20890705E-05 0.34507576E-09-0.20992736E-13 2 -0.43955643E+05-0.23448017E+02 0.20480403E+01 0.29590895E-01-0.28065357E-04 3 0.11297923E-07-0.10168634E-11-0.41870475E+05 0.17086656E+02-0.40170738E+05 4 C2HCLF2 cis RUS 79C 2F 2H 1CL 1G 200.000 6000.000 1000. 1 0.10773817E+02 0.48843919E-02-0.18135371E-05 0.29944899E-09-0.18214330E-13 2 -0.42909705E+05-0.27423997E+02 0.18766172E+01 0.32753447E-01-0.32851961E-04 3 0.13358593E-07-0.10107904E-11-0.40667163E+05 0.17580933E+02-0.38916184E+05 4 C2HCLF2 trans RUS 79C 2F 2H 1CL 1G 200.000 6000.000 1000. 1 0.10848435E+02 0.48316495E-02-0.17979829E-05 0.29732063E-09-0.18103369E-13 2 -0.42888036E+05-0.27962648E+02 0.15000194E+01 0.34865481E-01-0.37049162E-04 3 0.17161874E-07-0.23168944E-11-0.40562524E+05 0.19158855E+02-0.38860137E+05 4 CF2H-CCLF2 FC-124AP 89C 2F 4H 1CL 1G 200.000 5000.000 1000. 1 0.14476092E+02 0.77521899E-02-0.34676003E-05 0.68691373E-09-0.49890490E-13 2 -0.11413815E+06-0.44436670E+02 0.25660695E+01 0.40636569E-01-0.30205490E-04 3 0.15001542E-08 0.49004025E-11-0.11095106E+06 0.16810762E+02-0.10864140E+06 4 CF3-CCLFH HCFC124 P 89C 2F 4H 1CL 1G 200.000 5000.000 1000. 1 0.14310765E+02 0.77386392E-02-0.33659964E-05 0.65591076E-09-0.47163678E-13 2 -0.11665629E+06-0.43664043E+02 0.25109331E+01 0.39611296E-01-0.26968606E-04 3 -0.22740439E-08 0.64125753E-11-0.11348471E+06 0.17136671E+02-0.11121521E+06 4 CF3-CCL2H HCFC123 P 89C 2F 3H 1CL 2G 200.000 5000.000 1000. 1 0.15372216E+02 0.65536841E-02-0.28223775E-05 0.54480973E-09-0.38845129E-13 2 -0.95263745E+05-0.49194203E+02 0.24843775E+01 0.41924396E-01-0.29376222E-04 3 -0.37135096E-08 0.82904456E-11-0.91811259E+05 0.17075157E+02-0.89470095E+05 4 CF2CL-CFCLH P 89C 2F 3H 1CL 2G 200.000 5000.000 1000. 1 0.15214490E+02 0.68034260E-02-0.29677784E-05 0.57947261E-09-0.41715986E-13 2 -0.91047599E+05-0.46292045E+02 0.22308101E+01 0.46950596E-01-0.46338534E-04 3 0.17532444E-07-0.78742071E-12-0.87769687E+05 0.19469685E+02-0.85392885E+05 4 CFCL2-CF2H P 89C 2F 3H 1CL 2G 200.000 5000.000 1000. 1 0.15065748E+02 0.70864071E-02-0.30919691E-05 0.60150084E-09-0.43128759E-13 2 -0.90106886E+05-0.46351547E+02 0.28807063E+01 0.42935581E-01-0.38052765E-04 3 0.94294010E-08 0.24256356E-11-0.86893560E+05 0.15891141E+02-0.84442739E+05 4 C2HCL3 TT8/03C 2H 1CL 3 0G 200.000 6000.000 1000. 1 0.10888462E+02 0.47583118E-02-0.17617541E-05 0.29031942E-09-0.17633485E-13 2 -0.60360276E+04-0.25439709E+02 0.25996860E+01 0.34238007E-01-0.43577745E-04 3 0.28199249E-07-0.73014917E-11-0.40688962E+04 0.15763417E+02-0.21047542E+04 4 C2HCL4 T07/93C 2H 1CL 4 0G 200.000 6000.000 1000. 1 0.14345153E+02 0.38508430E-02-0.15288445E-05 0.26296252E-09-0.16428120E-13 2 0.30975111E+03-0.40373922E+02 0.33451714E+01 0.42519471E-01-0.56084672E-04 3 0.36883667E-07-0.97499515E-11 0.29522231E+04 0.14447025E+02 0.54122251E+04 4 C2HCL5 T02/04C 2.H 1.CL 5. 0.G 200.000 2500.000 1000. 1 1.61566870E+01 6.06148767E-03-2.53648549E-06 4.44999168E-10-2.80288214E-14 2 -2.46439065E+04-5.02075766E+01 3.50900386E+00 4.71530006E-02-5.28356930E-05 3 2.70368751E-08-4.76452703E-12-2.14762466E+04 1.35377803E+01-1.87498530E+04 4 C2HF J12/67C 2H 1F 10 0G 300.000 5000.000 1000. 1 6.09495010E+00 3.94324280E-03-1.47114380E-06 2.52946410E-10-1.64466630E-14 2 1.29769070E+04-8.31534304E+00 2.69017700E+00 1.76808530E-02-2.27498550E-05 3 1.49205680E-08-3.73819250E-12 1.36832230E+04 8.14697176E+00 1.50978852E+04 4 C2HF2 CHF=CF(E) T 6/02C 2.H 1.F 2. 0.G 200.000 6000.000 1000. 1 7.87499232E+00 4.77134517E-03-1.76600789E-06 2.90903847E-10-1.76623863E-14 2 -8.08846630E+03-1.36036843E+01 3.08690083E+00 1.60213261E-02-7.49407266E-06 3 -3.65234768E-09 3.19176449E-12-6.67208283E+03 1.15973919E+01-5.11154596E+03 4 C2HF3 CHF=CF2 T 6/02C 2.H 1.F 3. 0.G 200.000 6000.000 1000. 1 9.51364339E+00 6.10050215E-03-2.27247481E-06 3.75909062E-10-2.28896862E-14 2 -6.20890901E+04-2.21217934E+01 2.12968831E+00 2.61953686E-02-1.99037713E-05 3 3.89891998E-09 1.37448443E-12-6.00356970E+04 1.60818625E+01-5.84039228E+04 4 C2HF5 T 9/92C 2H 1F 5 0G 200.000 6000.000 1000. 1 0.14511481E+02 0.67806778E-02-0.25698903E-05 0.42902547E-09-0.26324390E-13 2 -0.13843215E+06-0.46709702E+02 0.26173863E+01 0.35802157E-01-0.17656511E-04 3 -0.10850738E-07 0.92126754E-11-0.13504778E+06 0.15423796E+02-0.13284920E+06 4 HCCN RUS 91H 1C 2N 1 0G 200.000 6000.000 1000. 1 6.56314169E+00 3.48040967E-03-1.24603080E-06 2.00764486E-10-1.20044547E-14 2 7.11347086E+04-9.86556141E+00 1.87184307E+00 2.60611314E-02-4.62723965E-05 3 4.18609731E-08-1.45352705E-11 7.20340360E+04 1.22173228E+01 7.34175107E+04 4 NCCHO T06/04C 2.H 1.N 1.O 1.G 200.000 6000.000 1000. 1 6.42261995E+00 6.03502826E-03-2.21102350E-06 3.61593143E-10-2.18401729E-14 2 2.82171279E+03-6.42840578E+00 3.63362859E+00 1.18741728E-02-5.03742673E-06 3 -8.99834820E-10 1.01583787E-12 3.74108769E+03 8.57237760E+00 5.30641974E+03 4 HCCNO2 A 1/05C 2.H 1.N 1.O 2.G 200.000 6000.000 1000. 1 9.24323493E+00 6.11883233E-03-2.22735280E-06 3.63050837E-10-2.18882152E-14 2 3.00082130E+04-2.07147538E+01 1.34403396E+00 3.33183494E-02-3.93939158E-05 3 2.41124634E-08-5.90505390E-12 3.19357897E+04 1.87890785E+01 3.35142299E+04 4 HCCO T 6/94C 2H 1O 1 0G 200.000 6000.000 1000. 1 0.58469006E+01 0.36405960E-02-0.12959007E-05 0.20796919E-09-0.12400022E-13 2 0.19248496E+05-0.52916533E+01 0.23350118E+01 0.17010083E-01-0.22018867E-04 3 0.15406447E-07-0.43455097E-11 0.20050299E+05 0.11976729E+02 0.21336387E+05 4 H2C2 L12/89H 2C 2 0 0G 200.000 6000.000 1000. 1 0.42780340E+01 0.47562804E-02-0.16301009E-05 0.25462806E-09-0.14886379E-13 2 0.48316688E+05 0.64023701E+00 0.32815483E+01 0.69764791E-02-0.23855244E-05 3 -0.12104432E-08 0.98189545E-12 0.48621794E+05 0.59203910E+01 0.49887266E+05 4 C2H2,acetylene g 1/91C 2.H 2. 0. 0.G 200.000 6000.000 1000. 1 4.65878489E+00 4.88396667E-03-1.60828888E-06 2.46974544E-10-1.38605959E-14 2 2.57594042E+04-3.99838194E+00 8.08679682E-01 2.33615762E-02-3.55172234E-05 3 2.80152958E-08-8.50075165E-12 2.64289808E+04 1.39396761E+01 2.74459950E+04 4 C2H2Br2 trans T03/04C 2.H 2.BR 2. 0.G 200.000 6000.000 1000. 1 8.71830574E+00 6.46729755E-03-2.32172026E-06 3.74707113E-10-2.24292533E-14 2 8.95990052E+03-1.45931197E+01 3.92133171E+00 1.60428828E-02-1.49792112E-07 3 -1.49285034E-08 8.33024182E-12 1.04003743E+04 1.08945560E+01 1.22556831E+04 4 CHBr2CHBr2 T02/04C 2.H 2.BR 4. 0.G 200.000 6000.000 1000. 1 1.38358129E+01 7.38994179E-03-2.84169603E-06 4.75473782E-10-2.90613149E-14 2 1.42718237E+03-3.42538684E+01 5.78939817E+00 3.15602244E-02-2.76651125E-05 3 8.64111911E-09 5.04841959E-13 3.51473595E+03 6.71486330E+00 6.41649358E+03 4 C2H2FCl 1,1-FCl T 9/02C 2.H 2.F 1.CL 1.G 200.000 6000.000 1000. 1 8.38519082E+00 6.88965435E-03-2.50358771E-06 4.07384367E-10-2.45254671E-14 2 -2.31789264E+04-1.68056385E+01 9.12415579E-01 3.11141994E-02-3.24490541E-05 3 1.67416393E-08-3.16508383E-12-2.12920536E+04 2.09030401E+01-1.98920923E+04 4 C2H2CL2 1,1- S05/01C 2.H 2.CL 2. 0.G 200.000 6000.000 1000. 1 8.72268524E+00 6.52268348E-03-2.35597369E-06 3.81833999E-10-2.29238459E-14 2 -3.05837782E+03-1.79212139E+01 1.09017479E+00 3.38342476E-02-4.14626040E-05 3 2.66982563E-08-6.91176950E-12-1.24744244E+03 1.99941222E+01 2.64597673E+02 4 CH2-CCL3 RADICAL T08/03C 2.H 2.CL 3. 0.G 200.000 6000.000 1000. 1 1.28942506E+01 4.86170307E-03-1.72031755E-06 2.75143478E-10-1.63718689E-14 2 5.45317262E+03-3.62976535E+01 8.94429907E-01 5.61578321E-02-8.89059018E-05 3 6.89328575E-08-2.07848100E-11 7.85604934E+03 2.11970392E+01 9.95969696E+03 4 C2H2F2 FC-1132A RUS 79C 2H 2F 2 0G 200.000 6000.000 1000. 1 0.79327643E+01 0.72799810E-02-0.26415344E-05 0.42945073E-09-0.25839319E-13 2 0.37251697E+05-0.16507476E+02 0.91165863E+00 0.26603461E-01-0.18948171E-04 3 0.19953224E-08 0.24125513E-11 0.39167462E+05 0.19690888E+02 0.40459390E+05 4 H2C2F2 RUS 79H 2C 2F 2 0G 200.000 6000.000 1000. 1 0.76464991E+01 0.75564145E-02-0.27460965E-05 0.44690892E-09-0.26908805E-13 2 0.34501235E+05-0.14697526E+02 0.26982329E+01 0.12388075E-01 0.15375850E-04 3 -0.32354406E-07 0.14769065E-10 0.36234156E+05 0.12826030E+02 0.37668125E+05 4 F2C2H2 FC-1132 RUS 79F 2C 2H 2 0G 200.000 6000.000 1000. 1 0.77364716E+01 0.74682715E-02-0.27124152E-05 0.44124475E-09-0.26559965E-13 2 0.34125364E+05-0.15227976E+02 0.28231827E+01 0.13973974E-01 0.87909744E-05 3 -0.23954877E-07 0.11273758E-10 0.35790306E+05 0.11761385E+02 0.37288788E+05 4 C2F3H2 T 1/92C 2F 3H 2 0G 200.000 6000.000 1000. 1 0.10987821E+02 0.68153248E-02-0.24820763E-05 0.40457086E-09-0.24387675E-13 2 -0.66370037E+05-0.29515293E+02 0.54654037E+00 0.42697217E-01-0.49566004E-04 3 0.27781281E-07-0.57577830E-11-0.63872559E+05 0.22578365E+02-0.62197580E+05 4 C2H2F4 1,1,1,2 T 5/03C 2.H 2.F 4. 0.G 200.000 6000.000 1000. 1 1.25551115E+01 8.40186071E-03-3.12077291E-06 5.12284572E-10-3.10110291E-14 2 -1.14846319E+05-3.80374329E+01 2.29239681E+00 3.03108483E-02-5.33713985E-06 3 -2.19456612E-08 1.29970288E-11-1.11790431E+05 1.62830568E+01-1.09844116E+05 4 C2H2F4 1,1,2,2 T 5/03C 2.H 2.F 4. 0.G 200.000 6000.000 1000. 1 1.19960865E+01 8.98721146E-03-3.36363101E-06 5.54000254E-10-3.35654907E-14 2 -1.11106791E+05-3.53416069E+01 3.98924014E+00 1.72571738E-02 2.36853869E-05 3 -4.89142700E-08 2.21225708E-11-1.08315425E+05 9.12364634E+00-1.06235966E+05 4 C2H2(NO2)2 A 1/05C 2.H 2.N 2.O 4.G 200.000 6000.000 1000. 1 1.65193214E+01 1.09827653E-02-4.28160802E-06 7.24664741E-10-4.47051889E-14 2 3.80161241E+02-5.69855940E+01 4.46008116E+00 2.38752905E-02 3.45147187E-05 3 -7.10366591E-08 3.20870069E-11 4.57501847E+03 9.91351088E+00 7.14567665E+03 4 CH2CN Radical T01/03C 2.H 2.N 1. 0.G 200.000 6000.000 1000. 1 6.14873620E+00 6.06600240E-03-2.17174620E-06 3.49750387E-10-2.09004207E-14 2 2.86491222E+04-6.59235995E+00 2.63064017E+00 1.73644377E-02-1.70284117E-05 3 9.86551140E-09-2.46033517E-12 2.95791691E+04 1.12776223E+01 3.10031788E+04 4 CH2NC Radical A12/04C 2.H 2.N 1. 0.G 200.000 6000.000 1000. 1 5.74237273E+00 6.28074654E-03-2.21501557E-06 3.53105406E-10-2.09509914E-14 2 4.08948870E+04-4.10984142E+00 3.36758699E+00 1.31552658E-02-1.05147237E-05 3 5.55784400E-09-1.42571504E-12 4.15787507E+04 8.18621025E+00 4.30849202E+04 4 NCCH2O Radical T06/04C 2.H 2.N 1.O 1.G 200.000 6000.000 1000. 1 7.26373035E+00 7.91027386E-03-2.87373023E-06 4.67365314E-10-2.81206990E-14 2 1.81836123E+04-1.08309486E+01 2.96391901E+00 1.64646465E-02-3.33503209E-06 3 -8.15626290E-09 4.80224808E-12 1.95498379E+04 1.22143247E+01 2.11220163E+04 4 NCCH2OO Radical T06/04C 2.H 2.N 1.O 2.G 200.000 6000.000 1000. 1 9.10481741E+00 8.95969753E-03-3.25670683E-06 5.29969111E-10-3.19048942E-14 2 1.77397623E+04-1.81425839E+01 4.25158957E+00 1.46469491E-02 9.70672093E-06 3 -2.46314402E-08 1.13320529E-11 1.94457826E+04 8.75950789E+00 2.14068370E+04 4 CH2CO T 6/94C 2H 2O 1 0G 200.000 6000.000 1000. 1 0.57577901E+01 0.63496507E-02-0.22584407E-05 0.36208462E-09-0.21569030E-13 2 -0.79786113E+04-0.61064037E+01 0.21401165E+01 0.18088368E-01-0.17324216E-04 3 0.92767477E-08-0.19915011E-11-0.70430509E+04 0.12198699E+02-0.57366700E+04 4 HCCOH T 4/93C 2H 2O 1 0G 200.000 6000.000 1000. 1 0.63660255E+01 0.55038729E-02-0.18851901E-05 0.29446414E-09-0.17218598E-13 2 0.89184965E+04-0.82504705E+01 0.19654173E+01 0.25585205E-01-0.38773334E-04 3 0.31566335E-07-0.10081670E-10 0.97694090E+04 0.12602749E+02 0.11207642E+05 4 C2H2O2 tr-CHO-CHO A 1/05C 2.H 2.O 2. 0.G 200.000 6000.000 1000. 1 8.85034076E+00 6.23204927E-03-2.32071530E-06 3.83938967E-10-2.34337600E-14 2 -2.99661475E+04-2.08313957E+01 4.85308026E+00-6.17303296E-04 4.51318561E-05 3 -5.99330557E-08 2.36876026E-11-2.80246931E+04 4.08167427E+00-2.63137027E+04 4 C2H2O2 CIS T 9/92C 2H 2O 2 0G 200.000 6000.000 1000. 1 0.71660908E+01 0.82156532E-02-0.30357804E-05 0.49928280E-09-0.30274243E-13 2 -0.28502158E+05-0.11724463E+02 0.41659627E+01 0.65590466E-02 0.20251392E-04 3 -0.30590514E-07 0.12429084E-10-0.27155540E+05 0.62611341E+01-0.25497594E+05 4 C2H2O4 HO-CO-CO-OHT 5/03C 2.H 2.O 4. 0.G 200.000 6000.000 1000. 1 1.12713463E+01 9.21013668E-03-3.36045480E-06 5.44589862E-10-3.26206809E-14 2 -9.24388026E+04-2.98343923E+01 1.29593849E+00 4.17001626E-02-4.49426401E-05 3 2.54216963E-08-5.84215993E-12-8.99050481E+04 2.05343663E+01-8.80148078E+04 4 C2H3 T06/93C 2H 3 0 0G 200.000 6000.000 1000. 1 0.47025310E+01 0.72642283E-02-0.25801992E-05 0.41319944E-09-0.24591492E-13 2 0.34029675E+05-0.14293714E+01 0.30019602E+01 0.30304354E-02 0.24444315E-04 3 -0.35810242E-07 0.15108700E-10 0.34868173E+05 0.93304495E+01 0.36050230E+05 4 CH2BRCOOH T 6/03C 2.H 3.O 2.BR 1.G 200.000 6000.000 1000. 1 1.00461497E+01 1.01587879E-02-3.64523517E-06 5.84523562E-10-3.47813484E-14 2 -5.01944638E+04-2.10806685E+01 3.28778149E+00 2.29632669E-02-1.48600560E-07 3 -1.95187664E-08 1.05257632E-11-4.80901664E+04 1.51126493E+01-4.61241853E+04 4 CH3CBr3 1,1,1- T11/03C 2.BR 3.H 3. 0.G 200.000 6000.000 1000. 1 1.24133808E+01 8.14476767E-03-2.94327674E-06 4.77278219E-10-2.86681963E-14 2 -7.78704433E+03-3.16562586E+01 4.62366755E+00 3.19898912E-02-3.12395319E-05 3 1.61131195E-08-3.42366464E-12-5.71776884E+03 8.09298025E+00-3.16314491E+03 4 C2H3CL RUS 79C 2H 3CL 1 0G 200.000 6000.000 1000. 1 0.63232954E+01 0.85236086E-02-0.30420698E-05 0.48893443E-09-0.29178872E-13 2 0.61799473E+02-0.77489330E+01 0.22718917E+01 0.12508882E-01 0.12133827E-04 3 -0.27307119E-07 0.12657108E-10 0.14736901E+04 0.14757729E+02 0.27662484E+04 4 C2H3CLO2 T 6/03C 2.H 3.O 2.CL 1.G 200.000 6000.000 1000. 1 9.86255544E+00 1.03234542E-02-3.69940268E-06 5.93409957E-10-3.53481899E-14 2 -5.54766294E+04-2.14716622E+01 3.46827272E+00 2.00080426E-02 7.43233801E-06 3 -2.70228098E-08 1.31588252E-11-5.33700009E+04 1.33548825E+01-5.14281659E+04 4 CH3CCl3 1,1,1- T11/03C 2.H 3.CL 3. 0.G 200.000 6000.000 1000. 1 1.20555087E+01 8.44253446E-03-3.04587523E-06 4.93404612E-10-2.96165491E-14 2 -2.19789258E+04-3.40314769E+01 2.56424495E+00 3.93928228E-02-4.26660423E-05 3 2.42267750E-08-5.60184447E-12-1.95749809E+04 1.38735787E+01-1.73912834E+04 4 C2H3F2 T12/91C 2H 3F 2 0G 200.000 6000.000 1000. 1 0.79153881E+01 0.95796027E-02-0.34798118E-05 0.56594378E-09-0.34053931E-13 2 -0.39692403E+05-0.14382963E+02 0.33232137E+01 0.16181070E-01 0.34104446E-05 3 -0.15893036E-07 0.75253769E-11-0.38094855E+05 0.10888528E+02-0.36382565E+05 4 C2H3F3 FC-143A T11/03C 2.H 3.F 3. 0.G 200.000 6000.000 1000. 1 1.00540918E+01 1.02515900E-02-3.70172133E-06 5.99863654E-10-3.60117460E-14 2 -9.50222221E+04-2.72330585E+01 1.75260632E+00 3.04395701E-02-1.49788607E-05 3 -5.70775683E-09 5.66225345E-12-9.26184281E+04 1.62401353E+01-9.08838885E+04 4 CH3CD3 T11/03C 2.H 3.D 3. 0.G 200.000 6000.000 1000. 1 5.72054997E+00 1.42190397E-02-5.14923700E-06 8.35625242E-10-5.02013874E-14 2 -1.59059093E+04-9.00312825E+00 3.37893166E+00 2.96664746E-03 4.53525569E-05 3 -5.95543887E-08 2.34320292E-11-1.43709688E+04 7.43314023E+00-1.29376235E+04 4 CH3CN Methyl-Cya T01/03C 2.H 3.N 1. 0.G 200.000 6000.000 1000. 1 5.09921882E+00 9.69585649E-03-3.48051966E-06 5.61420173E-10-3.35835856E-14 2 6.60967324E+03-3.36087178E+00 3.82392803E+00 4.08201943E-03 2.16209537E-05 3 -2.89807789E-08 1.12962700E-11 7.44430382E+03 5.52656156E+00 8.90492212E+03 4 CH3NC Methyl-Iso T01/03C 2.H 3.N 1. 0.G 200.000 6000.000 1000. 1 4.97319556E+00 9.82585931E-03-3.53150585E-06 5.70121357E-10-3.41242359E-14 2 1.74116304E+04-2.23784096E+00 5.06585777E+00-2.94992510E-03 3.52827212E-05 3 -4.04524450E-08 1.48573373E-11 1.80461340E+04 4.42065468E-01 1.96641976E+04 4 NCCH2OH T06/04C 2.H 3.N 1.O 1.G 200.000 6000.000 1000. 1 7.59341176E+00 9.44576002E-03-3.33630854E-06 5.32676082E-10-3.16483188E-14 2 -9.13477281E+03-1.33107264E+01 2.90218571E+00 1.63746784E-02 5.68147561E-06 3 -2.10178429E-08 1.02633942E-11-7.58531275E+03 1.22670504E+01-5.97871721E+03 4 NCCH2OOH A08/04C 2.H 3.N 1.O 2.G 200.000 6000.000 1000. 1 9.50764347E+00 1.00845926E-02-3.63251862E-06 5.84207205E-10-3.48052126E-14 2 -2.03333938E+02-1.92980150E+01 4.71323293E+00 1.82104447E-02 1.77781876E-06 3 -1.68344816E-08 8.64210464E-12 1.34399499E+03 6.62658109E+00 3.54516141E+03 4 NITROETHYLENE T11/97C 2H 3N 1O 2G 200.000 6000.000 1000. 1 1.00660026E+01 1.04932532E-02-3.92096997E-06 6.47758885E-10-3.93529661E-14 2 -3.10704319E+02-2.61804452E+01 2.75930739E+00 1.70703761E-02 2.37349272E-05 3 -4.77968933E-08 2.14789743E-11 2.29629458E+03 1.46559809E+01 4.00308858E+03 4 CH3CO ACETYL RAD IU2/03C 2.H 3.O 1. 0.G 200.000 6000.000 1000. 1 0.53137165E+01 0.91737793E-02-0.33220386E-05 0.53947456E-09-0.32452368E-13 2 -0.36450414E+04-0.16757558E+01 0.40358705E+01 0.87729487E-03 0.30710010E-04 3 -0.39247565E-07 0.15296869E-10-0.26820738E+04 0.78617682E+01-0.12388039E+04 4 CH3CO+ Acetylium A12/04C 2.H 3.O 1.E -1.G 200.000 6000.000 1000. 1 5.38190942E+00 9.45572763E-03-3.39695691E-06 5.48225731E-10-3.28062322E-14 2 7.81860765E+04-4.94235171E+00 3.31517723E+00 6.97633081E-03 1.75092244E-05 3 -2.69576366E-08 1.11130038E-11 7.91710835E+04 7.74260291E+00 8.05762456E+04 4 CH2CHO T04/83O 1H 3C 2 0G 300. 5000. 1000. 1 0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2 0.49032178E+03-0.50320879E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3 -0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95714535E+01 0.30474436E+04 4 C2H3O Oxyrane Rad A 1/05C 2.H 3.O 1. 0.G 200.000 6000.000 1000. 1 5.60158035E+00 9.17613962E-03-3.28028902E-06 5.27903888E-10-3.15362241E-14 2 1.71446252E+04-5.47228512E+00 3.58349017E+00-6.02275805E-03 6.32426867E-05 3 -8.18540707E-08 3.30444505E-11 1.85681353E+04 9.59725926E+00 1.97814471E+04 4 C2H4 L 4/85C 2H 4 0 0G 300.000 5000.000 1000. 1 0.43985453E 01 0.96228607E-02-0.31663776E-05 0.45747628E-09-0.23659406E-13 2 0.41153203E 04-0.24627438E 01 0.12176600E 01 0.13002675E-01 0.35037447E-05 3 -0.11155514E-07 0.47203222E-11 0.53373828E 04 0.15480169E 02 0.62902830E 04 4 CH2Br-CH2Br T 1/04C 2.BR 2.H 4. 0.G 200.000 6000.000 1000. 1 9.36432367E+00 1.10025521E-02-4.09730912E-06 6.76535723E-10-4.11107071E-14 2 -8.49220956E+03-1.85401970E+01 4.62116185E+00 9.41442414E-03 3.26665289E-05 3 -5.17217094E-08 2.19245862E-11-6.50317454E+03 9.40527055E+00-4.51018761E+03 4 CH3-CHBr2 T 1/04C 2.BR 2.H 4. 0.G 200.000 6000.000 1000. 1 9.71735483E+00 1.04888147E-02-3.76966967E-06 6.08752081E-10-3.64504552E-14 2 -8.90539717E+03-2.04307602E+01 3.77828749E+00 1.88134528E-02 9.12256669E-06 3 -2.83028599E-08 1.35973544E-11-6.92491898E+03 1.20528601E+01-4.93113846E+03 4 C2H4CL T 7/93C 2H 4CL 1 0G 200.000 6000.000 1000. 1 0.59979919E+01 0.11113997E-01-0.39890576E-05 0.64350472E-09-0.38503835E-13 2 0.80972298E+04-0.45621917E+01 0.45895607E+01 0.64757653E-03 0.38470903E-04 3 -0.49101872E-07 0.19121765E-10 0.91898417E+04 0.61950714E+01 0.10838883E+05 4 CH2Cl-CH2Cl T 1/04C 2.CL 2.H 4. 0.G 200.000 6000.000 1000. 1 9.68476700E+00 1.12630298E-02-4.31576920E-06 7.25209500E-10-4.45818752E-14 2 -1.93910394E+04-2.39965067E+01 4.68235340E+00 3.93962518E-03 5.07306234E-05 3 -7.03930514E-08 2.83531047E-11-1.69756931E+04 6.96581596E+00-1.50820674E+04 4 C2H4O2CL2 T01/97C 2H 4O 2CL 2G 200.000 6000.000 1000. 1 1.55129087E+01 1.03537432E-02-3.85668118E-06 6.37648016E-10-3.88430532E-14 2 -3.39225403E+04-5.01703472E+01 2.43416999E+00 4.58166561E-02-3.41051998E-05 3 5.34704665E-09 3.11610278E-12-3.03007573E+04 1.74771898E+01-2.78278816E+04 4 C2H4F T12/91C 2H 4F 1 0G 200.000 6000.000 1000. 1 0.60065274E+01 0.11133004E-01-0.40017964E-05 0.64613341E-09-0.38678848E-13 2 -0.11429867E+05-0.55288750E+01 0.46163442E+01 0.74570459E-03 0.37958220E-04 3 -0.48405526E-07 0.18830447E-10-0.10343617E+05 0.51147332E+01-0.86855197E+04 4 CH3CHF2 T 1/04C 2.F 2.H 4. 0.G 200.000 6000.000 1000. 1 7.67995887E+00 1.22243125E-02-4.37573530E-06 7.04756402E-10-4.21223621E-14 2 -6.32322020E+04-1.47344376E+01 3.25212905E+00 1.18717590E-02 2.57923969E-05 3 -4.29488908E-08 1.82237758E-11-6.14239074E+04 1.11051557E+01-5.97750198E+04 4 CH2FCH2F T 2/04C 2.F 2.H 4. 0.G 200.000 6000.000 1000. 1 7.68600797E+00 1.27375187E-02-4.68389197E-06 7.64129436E-10-4.60214671E-14 2 -5.74963135E+04-1.56217873E+01 5.49451451E+00-7.55638151E-03 7.44059971E-05 3 -9.07530932E-08 3.48667058E-11-5.56244060E+04 2.04302797E+00-5.38275858E+04 4 C2H4O L 8/89C 2H 4O 1 0G 200.000 6000.000 1000. 1 0.68220305E+01 0.11059739E-01-0.39224574E-05 0.62778505E-09-0.37355714E-13 2 -0.18038769E+05-0.83716090E+01 0.30137746E+01 0.10203771E-01 0.25405637E-04 3 -0.42341002E-07 0.18267561E-10-0.16497347E+05 0.13873511E+02-0.14995857E+05 4 C2H4O OXYRANE L 8/88C 2H 4O 1 0G 200.000 6000.000 1000. 1 0.54887641E+01 0.12046190E-01-0.43336931E-05 0.70028311E-09-0.41949088E-13 2 -0.91804251E+04-0.70799605E+01 0.37590532E+01-0.94412180E-02 0.80309721E-04 3 -0.10080788E-06 0.40039921E-10-0.75608143E+04 0.78497475E+01-0.63304657E+04 4 CH3CHO L 8/88C 2H 4O 1 0G 200.000 6000.000 1000. 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 ACETIC ACID L 4/85C 2H 4O 2 0G 300.000 5000.000 1000. 1 0.80064869E 01 0.12856044E-01-0.48697575E-05 0.80440143E-09-0.48353330E-13 2 -0.55868555E 05-0.17297928E 02 0.11682196E 01 0.22342462E-01 0.18119208E-05 3 -0.15536841E-07 0.69631271E-11-0.53317695E 05 0.20806107E 02-0.51987931E 05 4 C2H4O3 HOCH2COOH T 8/03C 2.H 4.O 3. 0.G 200.000 6000.000 1000. 1 1.27662941E+01 1.02143437E-02-3.63547001E-06 5.83491588E-10-3.47179974E-14 2 -7.53528536E+04-3.96511752E+01 2.80443702E+00 2.10851644E-02 3.35863233E-05 3 -7.02669107E-08 3.26849274E-11-7.20649998E+04 1.51180675E+01-7.01183834E+04 4 (FORMIC ACID)2 L 4/85C 2H 4O 4 0G 300.000 5000.000 1000. 1 0.12207371E 02 0.13688851E-01-0.46840369E-05 0.70511663E-09-0.38369285E-13 2 -0.10395938E 06-0.35709808E 02 0.37692385E 01 0.27224716E-01 0.17238053E-05 3 -0.20776724E-07 0.99379949E-11-0.10104988E 06 0.10505494E 02-0.98737314E 05 4 C2H5 T12/91C 2H 5 0 0G 200.000 6000.000 1000. 1 0.42878814E+01 0.12433893E-01-0.44139119E-05 0.70654102E-09-0.42035136E-13 2 0.12056455E+05 0.84602583E+00 0.43058580E+01-0.41833638E-02 0.49707270E-04 3 -0.59905874E-07 0.23048478E-10 0.12841714E+05 0.47100236E+01 0.14271225E+05 4 C2H5Br T02/04C 2.H 5.BR 1. 0.G 200.000 6000.000 1000. 1 6.95070251E+00 1.28745879E-02-4.60677674E-06 7.41546349E-10-4.42963110E-14 2 -1.06765485E+04-1.00581106E+01 3.62922182E+00 6.37339669E-03 3.97781783E-05 3 -5.78260426E-08 2.39610095E-11-9.05862112E+03 1.07157820E+01-7.44481635E+03 4 C2H5CL T02/04C 2.H 5.CL 1. 0.G 200.000 6000.000 1000. 1 6.77417303E+00 1.30492059E-02-4.67370113E-06 7.52809973E-10-4.49899116E-14 2 -1.66856682E+04-9.04848698E+00 3.58369773E+00 5.02103866E-03 4.39001543E-05 3 -6.22537877E-08 2.56063949E-11-1.50510220E+04 1.13211282E+01-1.34824542E+04 4 C2H5CLO2 T01/97C 2H 5O 2CL 1G 200.000 6000.000 1000. 1 1.15961106E+01 1.46988166E-02-5.56315884E-06 9.24997440E-10-5.64231971E-14 2 -3.06724523E+04-3.20337220E+01 3.19878206E+00 2.50806853E-02 1.51506919E-05 3 -4.08074392E-08 1.89776224E-11-2.77443750E+04 1.43864750E+01-2.56137283E+04 4 C2H5F T02/04C 2.H 5.F 1. 0.G 200.000 6000.000 1000. 1 6.18081697E+00 1.35890229E-02-4.87040213E-06 7.84862029E-10-4.69209214E-14 2 -3.45063351E+04-8.57310275E+00 4.00577312E+00-3.11043977E-04 5.57188865E-05 3 -7.28404563E-08 2.90642195E-11-3.29935858E+04 7.32097810E+00-3.14510416E+04 4 C2H5I T 2/94C 2H 5I 1 0G 298.150 5000.000 1000. 1 0.64809111E+01 0.13447817E-01-0.47579710E-05 0.81008580E-09-0.53421203E-13 2 -0.39662060E+04-0.61701523E+01 0.13957728E+01 0.25801118E-01-0.13368068E-04 3 0.75631068E-09 0.13422883E-11-0.24533839E+04 0.20577483E+02-0.10064333E+04 4 NITROETHANE T04/98C 2H 5N 1O 2G 200.000 6000.000 1000. 1 9.21849299E+00 1.62001532E-02-5.98159944E-06 9.81277173E-10-5.93455530E-14 2 -1.68676292E+04-2.07232926E+01 3.37137598E+00 1.37914267E-02 3.84687528E-05 3 -6.02380553E-08 2.49654782E-11-1.43330647E+04 1.40009494E+01-1.24822894E+04 4 ETHYL-NITRATE T05/98C 2H 5N 1O 3G 200.000 6000.000 1000. 1 1.21360953E+01 1.70091385E-02-6.43739515E-06 1.07219880E-09-6.54950920E-14 2 -2.41902070E+04-3.71640527E+01 3.75721604E+00 1.93623098E-02 3.87534117E-05 3 -6.64089530E-08 2.82505579E-11-2.08444383E+04 1.11813240E+01-1.86391453E+04 4 C2H5N3 Ethyl Azyd A12/04C 2.H 5.N 3. 0.G 200.000 6000.000 1000. 1 8.45447539E+00 1.82737204E-02-6.90153724E-06 1.13973210E-09-6.90183206E-14 2 2.79139524E+04-1.89068556E+01 3.12866430E+00 1.66008875E-02 3.04096708E-05 3 -4.97574008E-08 2.05155505E-11 3.02464801E+04 1.27193417E+01 3.20971718E+04 4 CH3CH2O* RADICAL IU3/03C 2.H 5.O 1. 0.G 200.000 6000.000 1000. 1 0.66889982E+01 0.13125676E-01-0.47038840E-05 0.75858552E-09-0.45413306E-13 2 -0.47457832E+04-0.96983755E+01 0.43074268E+01 0.64147205E-02 0.31139714E-04 3 -0.43314083E-07 0.17276184E-10-0.34027524E+04 0.59025837E+01-0.16357022E+04 4 CH3CH2O* RADICAL T12/01C 2.H 5.O 1. 0.G 200.000 6000.000 1000. 1 6.71163527E+00 1.31030320E-02-4.69226243E-06 7.55694481E-10-4.51569577E-14 2 -5.11649124E+03-1.05994048E+01 3.24621876E+00 8.77645678E-03 3.29420057E-05 3 -5.00768902E-08 2.09451514E-11-3.52245864E+03 1.05449034E+01-1.96254500E+03 4 CH2CH2OH Radical T12/01C 2.H 5.O 1. 0.G 200.000 6000.000 1000. 1 7.02824536E+00 1.20037746E-02-4.21306455E-06 6.69471213E-10-3.96371893E-14 2 -5.92493321E+03-9.40355948E+00 4.47893092E+00 7.59782301E-03 2.81794908E-05 3 -4.26953487E-08 1.78878934E-11-4.71446256E+03 6.38921206E+00-2.86833500E+03 4 CH3*CHOH RADICAL T10/04C 2.H 5.O 1. 0.G 200.000 6000.000 1000. 1 6.35842302E+00 1.24356276E-02-4.33096839E-06 6.84530381E-10-4.03713238E-14 2 -9.37900432E+03-6.05106112E+00 4.22283250E+00 5.12174798E-03 3.48386522E-05 3 -4.91943637E-08 2.01183723E-11-8.20503939E+03 8.01675700E+00-6.49827831E+03 4 C2H5O CH3-O-CH2 A10/04C 2.H 5.O 1. 0.G 200.000 6000.000 1000. 1 5.94067593E+00 1.29906358E-02-4.56921036E-06 7.26888932E-10-4.30599587E-14 2 -2.58503562E+03-4.52841964E+00 4.53195381E+00 7.81884271E-03 1.94968539E-05 3 -2.74538336E-08 1.06521135E-11-1.70629244E+03 5.06122980E+00 1.15460803E+02 4 C2H5OO PEROXYETH T08/00C 2.H 5.O 2. 0.G 200.000 6000.000 1000. 1 8.05957692E+00 1.52921019E-02-5.54442603E-06 9.00496195E-10-5.41302799E-14 2 -7.31028500E+03-1.59992904E+01 5.21694144E+00 1.24160003E-04 6.15529492E-05 3 -7.94505636E-08 3.12101317E-11-5.41455775E+03 4.22381533E+00-3.45206633E+03 4 C2H6 L 5/84C 2H 6 0 0G 300.000 5000.000 1000. 1 0.47028847E 01 0.14042635E-01-0.46469377E-05 0.67473738E-09-0.35089312E-13 2 -0.12671988E 05-0.45433950E 01 0.15395260E 01 0.15040841E-01 0.66847115E-05 3 -0.13382948E-07 0.48561398E-11-0.11248766E 05 0.14107375E 02-0.10085085E 05 4 CH3-N*-CH3 A09/04C 2.H 6.N 1. 0.G 200.000 6000.000 1000. 1 6.51948001E+00 1.52842778E-02-5.42514086E-06 8.68466302E-10-5.16752360E-14 2 1.60207871E+04-1.03264216E+01 4.35206979E+00 2.20630039E-03 5.25356947E-05 3 -6.99538040E-08 2.80551471E-11 1.74911105E+04 5.32379524E+00 1.92258959E+04 4 CH2-NH-CH3 A09/04C 2.H 6.N 1. 0.G 200.000 6000.000 1000. 1 6.97606586E+00 1.44632740E-02-5.03598536E-06 7.95670852E-10-4.69087405E-14 2 1.56142819E+04-1.14299775E+01 3.14378173E+00 1.40061918E-02 2.35060038E-05 3 -4.17414861E-08 1.82376254E-11 1.71384932E+04 1.08365098E+01 1.88321380E+04 4 C2H6N2 T 8/81C 2H 6N 2 0G 300.000 5000.000 1000. 1 0.81902246E 01 0.15981115E-01-0.53652748E-05 0.79098639E-09-0.41925359E-13 2 0.13938773E 05-0.18192831E 02 0.34860029E 01 0.18514410E-01 0.86240079E-05 3 -0.17172741E-07 0.61034997E-11 0.15975109E 05 0.92264036E 01 0.17884533E 05 4 (CH3)2N-NO2 T10/99C 2H 6N 2O 2G 200.000 6000.000 1000. 1 1.24703937E+01 1.86034893E-02-6.89301702E-06 1.13154966E-09-6.84339128E-14 2 -6.24684007E+03-3.95039089E+01 4.22510053E+00 2.24381715E-02 3.20605902E-05 3 -5.84889497E-08 2.50090693E-11-3.01379947E+03 7.74519704E+00-5.77304014E+02 4 C2H5OH(L) McBrid P12/87C 2H 6O 1 0L 200.000 468.000 468. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 7.27370930E+00 6.43852436E-02-4.77630118E-04 3 1.44382308E-06-1.11087366E-09-3.65159272E+04-3.07153973E+01-3.33763486E+04 4 C2H5OH L 8/88C 2H 6O 1 0G 200.000 6000.000 1000. 1 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2 -0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3 -0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4 CH3OCH3 L 9/88C 2H 6O 1 0G 200.000 6000.000 1000. 1 0.56483880E+01 0.16338220E-01-0.58680268E-05 0.94683462E-09-0.56650169E-13 2 -0.25100722E+05-0.59623267E+01 0.53055789E+01-0.21421160E-02 0.53085949E-04 3 -0.62313044E-07 0.23072397E-10-0.23979910E+05 0.71342649E+00-0.22136501E+05 4 C2H6O2 T10/96C 2H 6O 2 0G 200.000 6000.000 1000. 1 9.99511555E+00 1.47311626E-02-5.30621235E-06 8.58442516E-10-5.14814807E-14 2 -2.53850722E+04-2.53504050E+01 4.37310002E+00 1.04422436E-02 4.63854723E-05 3 -7.02772770E-08 2.93034879E-11-2.29362227E+04 8.30134323E+00-2.08834916E+04 4 CH3OOCH3 T 8/03C 2.H 6.O 2. 0.G 200.000 6000.000 1000. 1 7.59782714E+00 1.74427831E-02-6.37185354E-06 1.03573213E-09-6.20934305E-14 2 -1.86722111E+04-1.25718099E+01 5.18445635E+00 7.41530799E-03 4.06423876E-05 3 -5.56242513E-08 2.20244947E-11-1.71688382E+04 3.98453355E+00-1.50339587E+04 4 C2H6S T 4/93C 2H 6S 1 0G 298.150 5000.000 1000. 1 0.64687045E+01 0.16391622E-01-0.60377275E-05 0.10524727E-08-0.70286890E-13 2 -0.86436726E+04-0.69816273E+01 0.21847425E+01 0.24139946E-01-0.54359062E-05 3 -0.71826248E-08 0.40986272E-11-0.72094881E+04 0.16264503E+02-0.55454477E+04 4 C2H6S (CH3SCH3) T 4/93C 2H 6S 1 0G 298.150 5000.000 1000. 1 0.61189311E+01 0.16882055E-01-0.63478415E-05 0.11172322E-08-0.74890322E-13 2 -0.74615078E+04-0.61902955E+01 0.19139966E+01 0.29420442E-01-0.24128528E-04 3 0.15495718E-07-0.50061422E-11-0.62072425E+04 0.15648303E+02-0.45138535E+04 4 C2H6S2 T 4/93C 2H 6S 2 0G 298.150 5000.000 1000. 1 0.91856110E+01 0.17160184E-01-0.66808919E-05 0.12071229E-08-0.82458844E-13 2 -0.69404925E+04-0.17999496E+02 0.51094624E+01 0.20928434E-01 0.43660805E-05 3 -0.17144491E-07 0.75300808E-11-0.53653977E+04 0.50798739E+01-0.29035602E+04 4 CH3-NH-CH3 A09/04C 2.H 7.N 1. 0.G 200.000 6000.000 1000. 1 6.04266054E+00 1.81505461E-02-6.40296907E-06 1.02080428E-09-6.05674188E-14 2 -5.07188602E+03-8.95081700E+00 4.84262853E+00-2.23650748E-03 6.82702875E-05 3 -8.54283982E-08 3.33024641E-11-3.62971842E+03 2.86477868E+00-1.83523118E+03 4 (CH3)2N-NH* A10/04C 2.H 7.N 2. 0.G 200.000 6000.000 1000. 1 7.94121637E+00 1.96086909E-02-7.11650271E-06 1.15466458E-09-6.93050294E-14 2 2.09691279E+04-1.71912552E+01 3.09064932E+00 1.73629496E-02 3.01166251E-05 3 -4.98285239E-08 2.07770639E-11 2.31080463E+04 1.17272562E+01 2.49786689E+04 4 C2H8N2 SYM T 7/93C 2H 8N 2 0G 200.000 6000.000 1000. 1 0.80414886E+01 0.21261224E-01-0.77211118E-05 0.12549260E-08-0.75477198E-13 2 0.70952651E+04-0.19466398E+02 0.52268579E+01 0.75034124E-03 0.75377281E-04 3 -0.95913660E-07 0.37320229E-10 0.92788780E+04 0.19786705E+01 0.11364645E+05 4 C2H8N2 UNSYM T09/91C 2H 8N 2 0G 200.000 6000.000 1000. 1 0.95884921E+01 0.20043079E-01-0.71185025E-05 0.11401487E-08-0.67870741E-13 2 0.18116417E+04-0.25995709E+02 0.30395710E+01 0.22043065E-01 0.30487429E-04 3 -0.57055204E-07 0.25070487E-10 0.43464264E+04 0.11553546E+02 0.64008583E+04 4 CCN RUS 79C 2N 1 0 0G 200.000 6000.000 1000. 1 0.58067399E+01 0.15990703E-02-0.59490513E-06 0.10618890E-09-0.68989867E-14 2 0.70740102E+05-0.52450773E+01 0.37445392E+01 0.70577131E-02-0.64588927E-05 3 0.35772165E-08-0.10103810E-11 0.71360584E+05 0.55673126E+01 0.72740240E+05 4 CNC RUS 79C 2N 1 0 0G 200.000 6000.000 1000. 1 0.59325578E+01 0.15792030E-02-0.61235866E-06 0.10387387E-09-0.64318698E-14 2 0.76724556E+05-0.66018499E+01 0.39895547E+01 0.52201058E-02-0.58212323E-06 3 -0.33928816E-08 0.17621885E-11 0.77357494E+05 0.38873499E+01 0.78767981E+05 4 C2NO OCCN RAD T 6/03C 2.N 1.O 1. 0.G 200.000 6000.000 1000. 1 6.74017219E+00 3.15291670E-03-1.21385218E-06 2.10233077E-10-1.32180576E-14 2 2.29209722E+04-6.27286756E+00 4.16695460E+00 1.30750073E-02-1.93073466E-05 3 1.70520134E-08-6.11037694E-12 2.35732960E+04 6.53730937E+00 2.52570506E+04 4 C2N2 RUS 79C 2N 2 0 0G 200.000 6000.000 1000. 1 0.67055078E+01 0.36425829E-02-0.13094063E-05 0.21643797E-09-0.13121437E-13 2 0.34860766E+05-0.10493904E+02 0.23292532E+01 0.26153785E-01-0.49000399E-04 3 0.46191748E-07-0.16432385E-10 0.35668442E+05 0.98501993E+01 0.37175973E+05 4 C2(NO2)2 A 1/05C 2.N 2.O 4. 0.G 200.000 6000.000 1000. 1 1.49179250E+01 6.67809195E-03-2.60703718E-06 4.39898434E-10-2.70718721E-14 2 3.63490468E+04-4.64070026E+01 3.67763481E+00 3.74702265E-02-3.06683850E-05 3 7.87653935E-09 1.04579070E-12 3.94733196E+04 1.17296150E+01 4.19803471E+04 4 Hexanitroethane T11/99C 2N 6O 12 0G 200.000 6000.000 1000. 1 4.21870612E+01 1.23800129E-02-5.52306964E-06 1.00910711E-09-6.53407906E-14 2 5.66970453E+03-1.69918944E+02 1.06751275E+01 1.00230936E-01-1.00773651E-04 3 5.18003948E-08-1.19450365E-11 1.46844877E+04-6.42835467E+00 2.15286289E+04 4 C2O RUS 79C 2O 1 0 0G 200.000 6000.000 1000. 1 0.51512722E+01 0.23726722E-02-0.76135971E-06 0.11706415E-09-0.70257804E-14 2 0.33241888E+05-0.22183135E+01 0.28648610E+01 0.11990216E-01-0.18362448E-04 3 0.15769739E-07-0.53897452E-11 0.33749932E+05 0.88867772E+01 0.35003406E+05 4 C3 RUS 79C 3 0 0 0G 200.000 6000.000 1000. 1 0.48035776E+01 0.21451125E-02-0.10729208E-05 0.26073528E-09-0.20163197E-13 2 0.99396542E+05 0.38936985E+00 0.54328396E+01-0.44675438E-02 0.14932148E-04 3 -0.14795314E-07 0.50142111E-11 0.99495722E+05-0.15872071E+01 0.10102201E+06 4 C3D4 T 2/82C 3D 4 0 0G 300.000 5000.000 1000. 1 0.89251080E+01 0.92740692E-02-0.33307069E-05 0.52548144E-09-0.30162352E-13 2 0.27717801E+05-0.24771932E+02 0.87993717E+00 0.25426447E-01-0.47690091E-05 3 -0.14818401E-07 0.86449008E-11 0.30267191E+05 0.18314783E+02 0.31592361E+05 4 C3D6 T12/81C 3D 6 0 0G 300.000 5000.000 1000. 1 0.10402956E+02 0.12471735E-01-0.44642438E-05 0.70182371E-09-0.40115975E-13 2 -0.77593262E+03-0.35093755E+02-0.79611647E+00 0.35631880E-01-0.75448597E-05 3 -0.20582778E-07 0.12364153E-10 0.27102590E+04 0.24640681E+02 0.39509243E+04 4 C3F3 PerFOroargylA12/04C 3.F 3. 0. 0.G 200.000 6000.000 1000. 1 1.12378484E+01 4.72022510E-03-1.81319626E-06 3.05774873E-10-1.88599788E-14 2 -2.01616667E+04-2.73469146E+01 2.76396544E+00 3.57836163E-02-5.06266174E-05 3 3.86565828E-08-1.21457550E-11-1.81106620E+04 1.47800354E+01-1.60727403E+04 4 C3F4 PerFAllene A12/04C 3.F 4. 0. 0.G 200.000 6000.000 1000. 1 1.31232153E+01 5.83382768E-03-2.24315688E-06 3.78529136E-10-2.33580739E-14 2 -7.14789913E+04-3.76087467E+01 2.39178498E+00 4.14799223E-02-4.99529342E-05 3 3.11694452E-08-8.01916112E-12-6.87659176E+04 1.64654537E+01-6.65926743E+04 4 C3F6 CF2=CF-CF3 A11/04C 3.F 6. 0. 0.G 200.000 6000.000 1000. 1 1.87296098E+01 5.74055067E-03-2.31302367E-06 4.01017749E-10-2.51741915E-14 2 -1.46123551E+05-6.59853551E+01 2.35781302E+00 5.80498289E-02-6.67557556E-05 3 3.68109988E-08-7.92990472E-12-1.41947032E+05 1.68586208E+01-1.39184698E+05 4 C3F7 CF3CF*CF3 M T12/99C 3F 7 0 0G 200.000 6000.000 1000. 1 2.05301132E+01 7.60062764E-03-2.96491015E-06 5.04882378E-10-3.13452721E-14 2 -1.69702083E+05-7.19281430E+01 3.14241614E+00 6.03443070E-02-6.17598017E-05 3 2.79379580E-08-4.02551172E-12-1.65147364E+05 1.66897624E+01-1.62020670E+05 4 C3F8 FC-218 T 1/94C 3F 8 0 0G 298.150 5000.000 1000. 1 0.23380508E+02 0.71509045E-02-0.30004329E-05 0.55566723E-09-0.37865981E-13 2 -0.22034342E+06-0.89673706E+02 0.16732611E+01 0.72542284E-01-0.70291850E-04 3 0.25054365E-07-0.94876882E-12-0.21484389E+06 0.20590469E+02-0.21169268E+06 4 C3H T07/93C 3H 1 0 0G 200.000 6000.000 1000. 1 0.34671283E+01 0.62969122E-02-0.22708676E-05 0.36749291E-09-0.22034692E-13 2 0.80801495E+05 0.53527629E+01 0.24726647E+01 0.85316627E-02-0.63505996E-05 3 0.56681332E-08-0.24832298E-11 0.81205573E+05 0.10875808E+02 0.82275925E+05 4 C3F7H FC227EA T12/99C 3H 1F 7 0G 200.000 6000.000 1000. 1 2.03195617E+01 1.04618873E-02-3.99351610E-06 6.70976809E-10-4.12886922E-14 2 -1.96070480E+05-7.39087817E+01 3.19381844E+00 5.64358210E-02-4.24435538E-05 3 6.01422805E-09 4.21730731E-12-1.91302556E+05 1.47970140E+01-1.88203033E+05 4 C3HN Cyano-Acety A 2/05C 3.H 1.N 1. 0.G 200.000 6000.000 1000. 1 7.44515032E+00 5.27107604E-03-1.86735278E-06 2.98683734E-10-1.77665376E-14 2 4.16450237E+04-1.46187448E+01 5.87779106E-01 3.84323486E-02-6.61566501E-05 3 5.72555769E-08-1.89892637E-11 4.29066005E+04 1.74909167E+01 4.43097371E+04 4 C3H2(1)CyPropen T12/00C 3.H 2. 0. 0.G 200.000 6000.000 1000. 1 5.69445684E+00 6.53821901E-03-2.35907266E-06 3.82037384E-10-2.29227460E-14 2 5.49264274E+04-6.96163733E+00 3.18167129E+00-3.37611741E-04 3.95343765E-05 3 -5.49792422E-08 2.28335240E-11 5.61816758E+04 9.06482468E+00 5.73666999E+04 4 C3H2(3) H2C*-CC* T12/00C 3.H 2. 0. 0.G 200.000 6000.000 1000. 1 6.67324762E+00 5.57728845E-03-1.99180164E-06 3.20289156E-10-1.91216272E-14 2 7.57571184E+04-9.72894405E+00 2.43417332E+00 1.73013063E-02-1.18294047E-05 3 1.02756396E-09 1.62626314E-12 7.69074892E+04 1.21012230E+01 7.83005132E+04 4 C3H2(3) *HC=C=CH* S 4/01C 3.H 2. 0. 0.G 200.000 6000.000 1000. 1 7.47247827E+00 4.57765160E-03-1.56482125E-06 2.43991965E-10-1.42462924E-14 2 8.83321441E+04-1.27113314E+01 3.74356467E+00 2.51955211E-02-4.62608277E-05 3 4.34360520E-08-1.53992558E-11 8.89297787E+04 4.22612394E+00 9.08356403E+04 4 C3H2(1) HCC-CH** S 4/01C 3.H 2. 0. 0.G 200.000 6000.000 1000. 1 6.74647935E+00 5.43300689E-03-1.92072371E-06 3.06675624E-10-1.82157001E-14 2 9.59157420E+04-1.02270830E+01 2.87526884E+00 1.99235624E-02-2.41971222E-05 3 1.66378231E-08-4.69230977E-12 9.68191728E+04 8.88674315E+00 9.83788582E+04 4 C3H2F3 CF3-CH=CH* A10/04C 3.H 2.F 3. 0.G 200.000 6000.000 1000. 1 1.27774168E+01 7.93163451E-03-2.88750413E-06 4.67651599E-10-2.80481227E-14 2 -5.02306417E+04-3.79660841E+01 6.81987133E-01 4.69264463E-02-4.86400872E-05 3 2.20469507E-08-2.75414626E-12-4.72313621E+04 2.29560885E+01-4.53297573E+04 4 C3H2N CH=CHCN A12/04C 3.H 2.N 1. 0.G 200.000 6000.000 1000. 1 6.99670220E+00 7.50618110E-03-2.68300369E-06 4.31684490E-10-2.57821318E-14 2 5.04796219E+04-1.01552187E+01 2.15324611E+00 2.06638717E-02-1.33975241E-05 3 7.77214839E-10 2.02897347E-12 5.18184058E+04 1.48728946E+01 5.32629680E+04 4 C3H3 PROPARGYL T 5/97C 3H 3 0 0G 200.000 6000.000 1000. 1 7.14221880E+00 7.61902005E-03-2.67459950E-06 4.24914801E-10-2.51475415E-14 2 3.89087427E+04-1.25848435E+01 1.35110927E+00 3.27411223E-02-4.73827135E-05 3 3.76309808E-08-1.18540923E-11 4.01057783E+04 1.52058924E+01 4.16139977E+04 4 C3H3Cl 1-Cl-1Prop A01/05C 3.H 3.CL 1. 0.G 200.000 6000.000 1000. 1 7.44950828E+00 1.02120055E-02-3.65216636E-06 5.87697151E-10-3.50986872E-14 2 1.91733144E+04-1.20833043E+01 4.62329724E+00 1.34961392E-02 1.78124553E-06 3 -9.69193752E-09 4.35320141E-12 2.02385699E+04 3.76810011E+00 2.22155061E+04 4 C3H3Cl CH2Cl-CCH T 5/97C 3H 3CL 1 0G 200.000 6000.000 1000. 1 8.60964894E+00 9.12088266E-03-3.24810521E-06 5.21296691E-10-3.10793797E-14 2 1.61738376E+04-1.69659939E+01 2.49757092E+00 2.75585732E-02-2.33670745E-05 3 8.99167349E-09-7.08099389E-13 1.77912033E+04 1.42223355E+01 1.95717345E+04 4 3-C3H3Cl CY T 5/97C 3H 3CL 1 0G 200.000 6000.000 1000. 1 8.70661016E+00 9.10661478E-03-3.26153884E-06 5.25606764E-10-3.14309766E-14 2 2.26426992E+04-1.98513212E+01 1.38549419E+00 2.36867059E-02 4.57822305E-07 3 -2.34745441E-08 1.29903835E-11 2.48296574E+04 1.90259812E+01 2.62593301E+04 4 C3H3Cl CHCl=C=CH2 T 5/97C 3H 3CL 1 0G 200.000 6000.000 1000. 1 8.48868205E+00 9.30781907E-03-3.33392517E-06 5.37178372E-10-3.21149115E-14 2 1.58981402E+04-1.72834335E+01 2.17876528E+00 2.46488928E-02-1.08872907E-05 3 -6.58963705E-09 5.61690902E-12 1.77072077E+04 1.57028855E+01 1.93458135E+04 4 C3H3F2 CF2-CH=CH2 A10/04C 3.H 3.F 2. 0.G 200.000 6000.000 1000. 1 1.20299701E+01 9.70691401E-03-3.73228917E-06 6.22509253E-10-3.79752625E-14 2 -3.17722163E+04-3.50037599E+01 1.41349839E+00 4.11613237E-02-3.70006458E-05 3 1.39241732E-08-9.09220613E-13-2.89446642E+04 1.92959205E+01-2.69935484E+04 4 C3H3F3 CF3-CH=CH2 A10/04C 3.H 3.F 3. 0.G 200.000 6000.000 1000. 1 1.22166309E+01 1.11177411E-02-4.07566929E-06 6.63454514E-10-3.98729557E-14 2 -8.08780489E+04-3.63340348E+01 1.56834820E+00 3.70715693E-02-1.66534622E-05 3 -1.15669918E-08 9.46282072E-12-7.78570098E+04 1.92579065E+01-7.59072147E+04 4 C3H3N CH2=CHCN A12/04C 3.H 3.N 1. 0.G 200.000 6000.000 1000. 1 6.52096861E+00 1.05028771E-02-3.73734374E-06 5.99498117E-10-3.57283503E-14 2 1.92525453E+04-9.59580896E+00 3.04396646E+00 1.05333467E-02 1.96574996E-05 3 -3.42001077E-08 1.48155667E-11 2.06456740E+04 1.05816246E+01 2.21344883E+04 4 C3H3O CH2=CHC*O A10/04C 3.H 3.O 1. 0.G 200.000 6000.000 1000. 1 6.90703955E+00 1.02341927E-02-3.65649593E-06 5.87914100E-10-3.51359226E-14 2 7.62708561E+03-7.29856114E+00 4.11237192E+00 5.05829116E-03 3.17832265E-05 3 -4.55489258E-08 1.86325507E-11 8.99713585E+03 1.01743843E+01 1.06476509E+04 4 C3H3O *CH2-CH=CO A10/04C 3.H 3.O 1. 0.G 200.000 6000.000 1000. 1 7.69322269E+00 9.37928910E-03-3.31475709E-06 5.29225760E-10-3.14360567E-14 2 8.15590313E+03-1.21011994E+01 3.13639619E+00 1.99890906E-02-7.99294937E-06 3 -4.77227085E-09 3.89527783E-12 9.50725768E+03 1.18910245E+01 1.12526174E+04 4 H4C3 PROPYNE T 2/90H 4C 3 0 0G 200.000 6000.000 1000. 1 0.60252400E+01 0.11336542E-01-0.40223391E-05 0.64376063E-09-0.38299635E-13 2 0.19620942E+05-0.86043785E+01 0.26803869E+01 0.15799651E-01 0.25070596E-05 3 -0.13657623E-07 0.66154285E-11 0.20802374E+05 0.98769351E+01 0.22302059E+05 4 C3H4 ALLENE L 8/89C 3H 4 0 0G 200.000 6000.000 1000. 1 0.63168722E+01 0.11133728E-01-0.39629378E-05 0.63564238E-09-0.37875540E-13 2 0.20117495E+05-0.10995766E+02 0.26130445E+01 0.12122575E-01 0.18539880E-04 3 -0.34525149E-07 0.15335079E-10 0.21541567E+05 0.10226139E+02 0.22962267E+05 4 C3H4 CYCLOPROPENE T12/81C 3H 4 0 0G 300.000 5000.000 1000. 1 0.66999931E+01 0.10357372E-01-0.34551167E-05 0.50652949E-09-0.26682276E-13 2 0.30199051E+05-0.13378770E+02-0.24621047E-01 0.23197215E-01-0.18474357E-05 3 -0.15927593E-07 0.86846155E-11 0.32334137E+05 0.22729762E+02 0.3332728 E+05 4 C3H4Cl A 1/05C 3.H 4.CL 1. 0.G 200.000 6000.000 1000. 1 8.99997348E+00 1.08934778E-02-3.85998654E-06 6.13698724E-10-3.62944135E-14 2 2.63367200E+04-1.92754080E+01 2.84325299E+00 1.88013644E-02 1.44431707E-05 3 -3.74591048E-08 1.79821858E-11 2.83529496E+04 1.43805597E+01 3.00983952E+04 4 ClC3H4 A 2/05C 3.H 4.CL 1. 0.G 200.000 6000.000 1000. 1 8.44848616E+00 1.13179396E-02-3.99885260E-06 6.38428093E-10-3.79250140E-14 2 1.29285877E+04-1.62575139E+01 3.16995308E+00 1.57436972E-02 1.85511623E-05 3 -3.88261489E-08 1.77294125E-11 1.47902471E+04 1.32175604E+01 1.65306675E+04 4 C3H4N CH3-CH*-CN A01/05C 3.H 4.N 1. 0.G 200.000 6000.000 1000. 1 7.65917674E+00 1.21423335E-02-4.32088899E-06 6.93007104E-10-4.12936689E-14 2 2.34859398E+04-1.34087027E+01 2.90886208E+00 2.10250151E-02-3.11710857E-06 3 -1.06743259E-08 5.98989202E-12 2.50292497E+04 1.22020513E+01 2.67852167E+04 4 C3H4N2 1,3-DIAZOLET 9/96C 3H 4N 2 0G 200.000 6000.000 1000. 1 0.92025957E+01 0.14142668E-01-0.51071395E-05 0.82778679E-09-0.49706044E-13 2 0.12518192E+05-0.26079671E+02 0.13020933E+01 0.11479286E-01 0.60444678E-04 3 -0.95013016E-07 0.40803163E-10 0.15689407E+05 0.20116256E+02 0.16953369E+05 4 C3H4N4O6 1,3,3- S03/01C 3.H 4.N 4.O 6.G 200.000 6000.000 1000. 1 2.22004023E+01 2.61448557E-02-1.00734632E-05 1.69575778E-09-1.04302158E-13 2 2.69785949E+03-9.72924159E+01-3.22895573E+00 6.02068540E-02 4.89990294E-05 3 -1.24714696E-07 5.86010192E-11 1.12669368E+04 4.22296092E+01 1.31943410E+04 4 C3H4O CH2=CH-CHO A10/04C 3.H 4.O 1. 0.G 200.000 6000.000 1000. 1 7.31820729E+00 1.27398510E-02-4.60112009E-06 7.44735077E-10-4.46993049E-14 2 -1.16137229E+04-1.11884734E+01 3.98487241E+00 3.40751550E-03 4.81227535E-05 3 -6.61399005E-08 2.67817331E-11-9.83297241E+03 1.03960574E+01-8.18632872E+03 4 C3H4O2 AcrylAcid A01/05C 3.H 4.O 2. 0.G 200.000 6000.000 1000, 1 1.04962923E+01 1.20559957E-02-4.34149310E-06 6.99425892E-10-4.18003976E-14 2 -4.37332461E+04-2.75425657E+01 1.24227207E+00 3.00698605E-02-1.48206586E-06 3 -2.42738150E-08 1.33121686E-11-4.08667843E+04 2.19242842E+01-3.92146683E+04 4 C3H5 SYMMETRIC T 9/96C 3H 5 0 0G 200.000 6000.000 1000. 1 0.70094568E+01 0.13106629E-01-0.46533442E-05 0.74514323E-09-0.44350051E-13 2 0.16412909E+05-0.13946114E+02 0.14698036E+01 0.19034365E-01 0.14480425E-04 3 -0.35468652E-07 0.16647594E-10 0.18325831E+05 0.16724114E+02 0.19675772E+05 4 T-C3H5 CH3C*=CH2 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 S-C3H5 CH3CH=CH* A12/04C 3.H 5. 0. 0.G 200.000 6000.000 1000. 1 6.05091412E+00 1.34052084E-02-4.73450586E-06 7.55380897E-10-4.48421084E-14 2 2.90860210E+04-6.73692060E+00 3.33277282E+00 1.06102499E-02 2.17559727E-05 3 -3.47145235E-08 1.44476835E-11 3.03404530E+04 9.78922358E+00 3.19361425E+04 4 C3H5 Cyclopropyl T02/03C 3.H 5. 0. 0.G 200.000 6000.000 1000