*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. 1 6.62512238E+00 1.36577057E-02-4.90066661E-06 7.90436486E-10-4.72860275E-14 2 3.03239999E+04-1.31845240E+01 2.15143774E+00 3.80171682E-03 6.14538989E-05 3 -8.83383102E-08 3.70565687E-11 3.24689062E+04 1.48309194E+01 3.36651949E+04 4 C3H5Cl CHCL=CHCH3A 1/05C 3.H 5.CL 1. 0.G 200.000 6000.000 1000. 1 7.93779996E+00 1.44893887E-02-5.14735839E-06 8.24668950E-10-4.91034104E-14 2 -4.57303808E+03-1.47604433E+01 4.42267408E+00 1.07886267E-02 2.92262847E-05 3 -4.48388716E-08 1.84566819E-11-2.95068417E+03 6.62986035E+00-9.74227465E+02 4 C3H5Cl CH2=CHCH2ClA 1/05C 3.H 5.CL 1. 0.G 200.000 6000.000 1000. 1 8.52439580E+00 1.39387683E-02-4.94599494E-06 7.87953151E-10-4.66709395E-14 2 -3.80684034E+03-1.71514162E+01 3.46378742E+00 1.13302404E-02 4.01782107E-05 3 -6.44060622E-08 2.76922751E-11-1.73265523E+03 1.26490551E+01 4.44340075E+01 4 C3H5N PropionitrylA 1/05C 3.H 5.N 1. 0.G 200.000 6000.000 1000. 1 7.04418234E+00 1.53008159E-02-5.44095595E-06 8.72156064E-10-5.19455789E-14 2 3.05885503E+03-1.15133490E+01 3.62429314E+00 1.26256761E-02 2.47719570E-05 3 -3.99054512E-08 1.66077777E-11 4.60780029E+03 9.10669692E+00 6.39739347E+03 4 NITROPROPYLENE C T11/97C 3H 5N 1O 2G 200.000 6000.000 1000. 1 1.16044034E+01 1.73925254E-02-6.55603780E-06 1.08945442E-09-6.64543040E-14 2 -4.17082639E+03-3.40158247E+01 3.65175571E+00 2.01896036E-02 3.27504513E-05 3 -5.72328212E-08 2.41049017E-11-9.72583112E+02 1.18667163E+01 1.20117818E+03 4 C3H5NO2 NitroCy A 2/05C 3.H 5.N 1.O 2.G 200.000 6000.000 1000. 1 1.28563199E+01 1.60379798E-02-5.91815626E-06 9.70787117E-10-5.87172699E-14 2 -3.30190816E+03-4.34060874E+01 2.06484531E+00 2.06827764E-02 5.54675716E-05 3 -9.75079697E-08 4.31809897E-11 6.77006688E+02 1.78174435E+01 2.52967018E+03 4 NITROGLICERINE T05/98C 3H 5N 3O 9G 200.000 6000.000 1000. 1 3.24464077E+01 2.44149769E-02-9.67605267E-06 1.65298018E-09-1.02555476E-13 2 -4.65896112E+04-1.31431034E+02 5.70797625E+00 9.52017978E-02-7.18228583E-05 3 1.66304815E-08 3.01835927E-12-3.88975467E+04 7.78535957E+00-3.35645516E+04 4 C3H5O CH3CH2*CO A10/04C 3.H 5.O 1. 0.G 200.000 6000.000 1000. 1 6.52325448E+00 1.54211952E-02-5.50898157E-06 8.85889862E-10-5.28846399E-14 2 -7.19631634E+03-5.19862218E+00 6.25722402E+00-9.17612184E-03 7.61190493E-05 3 -9.05514997E-08 3.46198215E-11-5.91616484E+03 2.23330599E+00-3.94851891E+03 4 C3H5O CH3C(O)CH2 A10/04C 3.H 5.O 1. 0.G 200.000 6000.000 1000. 1 7.54410697E+00 1.43443222E-02-5.08381081E-06 8.13200521E-10-4.83673315E-14 2 -7.48672286E+03-1.14792587E+01 4.70187196E+00 5.51653762E-03 4.27505858E-05 3 -5.94680816E-08 2.40685378E-11-5.92845491E+03 7.12932590E+00-4.00985747E+03 4 C3H5O *CH2C2H3O A11/04C 3.H 5.O 1. 0.G 200.000 6000.000 1000. 1 8.15052559E+00 1.42542561E-02-5.05387276E-06 8.08732845E-10-4.81184188E-14 2 8.72987262E+03-1.69520239E+01 3.53458477E+00 8.02398508E-03 4.85256807E-05 3 -7.23549959E-08 3.03822687E-11 1.08059525E+04 1.11545728E+01 1.25165081E+04 4 PROPYLENE L 4/85C 3H 6 0 0G 300.000 5000.000 1000. 1 0.67213974E 01 0.14931757E-01-0.49652353E-05 0.72510753E-09-0.38001476E-13 2 -0.92453149E 03-0.12155617E 02 0.14575157E 01 0.21142263E-01 0.40468012E-05 3 -0.16319003E-07 0.70475153E-11 0.10740208E 04 0.17399460E 02 0.24557265E 04 4 C3H6CY T12/81C 3H 6 0 0G 300.000 5000.000 1000. 1 0.68271122E+01 0.15246719E-01-0.50710187E-05 0.74134521E-09-0.38929339E-13 2 0.27764282E+04-0.16856832E+02-0.17865782E+01 0.29799264E-01 0.13068729E-05 3 -0.23190996E-07 0.11576777E-10 0.56478437E+04 0.29976481E+02 0.64108408E+04 4 N-NITRO-AZETIDIN T11/97C 3H 6N 2O 2G 200.000 6000.000 1000. 1 1.28386051E+01 2.27540814E-02-8.59766661E-06 1.42856214E-09-8.70663456E-14 2 7.35548462E+03-4.36199680E+01 4.36363512E+00 7.73075634E-03 9.68585080E-05 3 -1.36307741E-07 5.56913572E-11 1.14684500E+04 9.18578377E+00 1.37257378E+04 4 RDX Solid T 4/99C 3H 6N 6O 6S 293.000 478.500 478.5 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-2.26955822E+02 2.10620186E+00-6.38009038E-03 3 8.94180990E-06-4.63001831E-09 2.44460154E+04 8.96445093E+02 9.51079498E+03 4 RDX 135 Triazine T 6/98C 3H 6N 6O 6G 200.000 6000.000 1000. 1 3.27884812E+01 2.84393334E-02-1.11821531E-05 1.88280824E-09-1.15260232E-13 2 9.54327013E+03-1.42802148E+02 1.46580269E+00 1.05297168E-01-5.23365036E-05 3 -2.70780427E-08 2.44647856E-11 1.84793520E+04 2.07951964E+01 2.30921606E+04 4 C2H5CHO T 9/92C 3H 6O 1 0G 273.150 5000.000 1000. 1 0.33137982E+01 0.26619606E-01-0.10475596E-04 0.18815334E-08-0.12761310E-12 2 -0.25459603E+05 0.96608447E+01 0.76044596E+01-0.86403564E-02 0.73930097E-04 3 -0.79687398E-07 0.28004927E-10-0.25489789E+05-0.67643691E+01-0.23097645E+05 4 CH3COCH3 T 5/92C 3H 6O 1 0G 200.000 6000.000 1000. 1 0.72975991E+01 0.17566207E-01-0.63170456E-05 0.10203086E-08-0.61094016E-13 2 -0.29817680E+05-0.12756981E+02 0.55557943E+01-0.28365428E-02 0.70568945E-04 3 -0.87810488E-07 0.34028266E-10-0.28113337E+05 0.23226600E+01-0.26116945E+05 4 C3H6O MeOxyrane A01/05C 3.H 6.O 1. 0.G 200.000 6000.000 1000. 1 8.01491079E+00 1.73919953E-02-6.26027968E-06 1.01188256E-09-6.06239111E-14 2 -1.51980838E+04-1.88279964E+01 3.42806676E+00 6.25176642E-03 6.13196311E-05 3 -8.60387185E-08 3.51371393E-11-1.28446646E+04 1.04244994E+01-1.11564001E+04 4 C3H6O OXETANE A11/04C 3.H 6.O 1. 0.G 200.000 6000.000 1000. 1 6.80716906E+00 1.88824545E-02-6.79082475E-06 1.09713919E-09-6.57154952E-14 2 -1.36547629E+04-1.35382154E+01 5.15283752E+00-1.86401716E-02 1.29980652E-04 3 -1.58629974E-07 6.20668783E-11-1.13243512E+04 4.73561224E+00-9.75233898E+03 4 C3H6O C2H3-O-CH3 A01/05C 3.H 6.O 1. 0.G 200.000 6000.000 1000. 1 7.36862196E+00 1.70579663E-02-6.02453419E-06 9.59230784E-10-5.68713111E-14 2 -1.56713547E+04-1.12908314E+01 5.33258600E+00 1.55080791E-03 5.77039781E-05 3 -7.46373993E-08 2.93544408E-11-1.41076819E+04 4.26255762E+00-1.20726710E+04 4 C3H6O CyC3H5-OH A01/05C 3.H 6.O 1. 0.G 200.000 6000.000 1000. 1 8.95739587E+00 1.60217198E-02-5.65131014E-06 9.01550505E-10-5.35370086E-14 2 -1.65852904E+04-2.45939234E+01 2.12818440E+00 8.44261433E-03 6.99012101E-05 3 -1.04542243E-07 4.42460530E-11-1.36496693E+04 1.64564771E+01-1.22080363E+04 4 C3H6S THIETHANE T05/97C 3H 6S 1 0G 200.000 6000.000 1000. 1 8.39851867E+00 1.75807579E-02-6.34783803E-06 1.02801267E-09-6.16584833E-14 2 2.99017716E+03-2.17569867E+01 2.83653731E+00 4.35820504E-03 7.71681730E-05 3 -1.08731256E-07 4.49661338E-11 5.75902343E+03 1.34578417E+01 7.28657732E+03 4 N-C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1000. 1 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3 -0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4 I-C3H7 I-L 9/84C 3H 7 0 0G 300.000 5000.000 1000. 1 0.65294638E 01 0.17193288E-01-0.57153220E-05 0.83408080E-09-0.43663532E-13 2 0.77179102E 04-0.91399021E 01 0.14461584E 01 0.20988975E-01 0.77172672E-05 3 -0.18481391E-07 0.71269024E-11 0.98206094E 04 0.20108200E 02 0.11221480E 05 4 1-C3H7I T 5/97C 3H 7I 1 0G 200.000 6000.000 1000. 1 8.75274672E+00 1.93877662E-02-6.96410211E-06 1.12226927E-09-6.71103091E-14 2 -8.16015913E+03-1.73406686E+01 4.99662911E+00 7.01218575E-03 5.68773142E-05 3 -7.77001229E-08 3.10455636E-11-6.01366014E+03 7.55650710E+00-3.84863125E+03 4 2-C3H7I T 5/97C 3H 7I 1 0G 200.000 6000.000 1000. 1 8.75725833E+00 1.88631159E-02-6.76401581E-06 1.09030360E-09-6.51918852E-14 2 -9.05136717E+03-1.66958638E+01 6.01588010E+00 8.83549699E-03 4.05024381E-05 3 -5.47331103E-08 2.12607652E-11-7.36100208E+03 1.91161348E+00-4.91494664E+03 4 C3H5NH2 L 2/84C 3H 7N 1 0G 300.000 5000.00 1000. 1 0.11077434E 02 0.15626516E-01-0.52517407E-05 0.79408302E-09-0.43887471E-13 2 0.43691211E 04-0.35471283E 02 0.92693955E 00 0.35704415E-01-0.35520043E-05 3 -0.24779276E-07 0.13902465E-10 0.75181836E 04 0.18755966E 02 0.93077042E+04 4 C3H7N AZETIDINE T05/97C 3H 7N 1 0G 200.000 6000.000 1000. 1 7.71995188E+00 2.08359439E-02-7.51341908E-06 1.21565468E-09-7.28540548E-14 2 7.40055773E+03-2.05389040E+01 3.72047052E+00-9.49272901E-03 1.21925375E-04 3 -1.56493514E-07 6.25256744E-11 1.03256972E+04 9.61790101E+00 1.18104951E+04 4 C3H7NO2 T05/98C 3H 7N 1O 2G 200.000 6000.000 1000. 1 1.27038541E+01 2.12000123E-02-7.88951874E-06 1.29872564E-09-7.87331819E-14 2 -2.09708557E+04-3.93362344E+01 2.45041896E+00 2.99807749E-02 2.82471382E-05 3 -6.00704031E-08 2.66264111E-11-1.71521009E+04 1.84229851E+01-1.49455350E+04 4 C3H7NO3 NPN T05/98C 3H 7N 1O 3G 200.000 6000.000 1000. 1 1.52256437E+01 2.22034122E-02-8.38746793E-06 1.39150880E-09-8.47131095E-14 2 -2.78718897E+04-5.27407711E+01 4.46362749E+00 2.95649058E-02 3.53085312E-05 3 -6.91816807E-08 3.01929999E-11-2.37681986E+04 8.34607830E+00-2.09338133E+04 4 C3H7O N-PROPOXY T 3/96C 3H 7O 1 0G 298.150 5000.000 1000. 1 0.84124958E+01 0.19520193E-01-0.71317071E-05 0.12393621E-08-0.82483889E-13 2 -0.87750718E+04-0.18293360E+02 0.91452571E+00 0.33601264E-01-0.12282254E-04 3 -0.10739947E-08 0.72924952E-12-0.61847956E+04 0.22563171E+02-0.45289500E+04 4 C3H8 L 4/85C 3H 8 0 0G 300.000 5000.000 1000. 1 0.75341368E 01 0.18872239E-01-0.62718491E-05 0.91475649E-09-0.47838069E-13 2 -0.16467516E 05-0.17892349E 02 0.93355381E 00 0.26424579E-01 0.61059727E-05 3 -0.21977499E-07 0.95149253E-11-0.13958520E 05 0.19201691E 02-0.12489986E 05 4 C3H7OH PROPANOL L 9/88C 3H 8O 1 0G 200.000 6000.000 1000. 1 0.87109009E+01 0.20803801E-01-0.73841230E-05 0.11817484E-08-0.70349614E-13 2 -0.35124716E+05-0.18900965E+02 0.52779942E+01 0.80866061E-03 0.82154818E-04 3 -0.10848818E-06 0.43488690E-10-0.32834877E+05 0.57052684E+01-0.30693330E+05 4 (CH3)2CHOH L 9/88C 3H 8O 1 0G 200.000 6000.000 1000. 1 0.96426813E+01 0.20022483E-01-0.71195450E-05 0.11413813E-08-0.67993688E-13 2 -0.37484005E+05-0.25634465E+02 0.43079906E+01 0.10250203E-01 0.61984404E-04 3 -0.90329571E-07 0.37405980E-10-0.34924881E+05 0.75584028E+01-0.32798084E+05 4 CH3-O-CH2-O-CH3 A11/04C 3.H 8.O 2. 0.G 200.000 6000.000 1000. 1 8.95642008E+00 2.30964860E-02-8.31918887E-06 1.33721431E-09-7.96344608E-14 2 -4.60512444E+04-1.76089627E+01 6.78227799E+00 7.94775082E-03 5.06843864E-05 3 -6.50264081E-08 2.46032899E-11-4.43162724E+04-9.93097382E-01-4.16099797E+04 4 C3N2O NCO-CO-CN T 6/03C 3.N 2.O 1. 0.G 200.000 6000.000 1000. 1 1.02505353E+01 5.52056426E-03-2.08011128E-06 3.46449568E-10-2.11883184E-14 2 2.60628607E+04-2.36322120E+01 2.90255868E+00 3.60774698E-02-5.74096105E-05 3 4.90465390E-08-1.66007074E-11 2.77164324E+04 1.21451730E+01 2.97672382E+04 4 C3O2 L 7/88C 3O 2 0 0G 200.000 6000.000 1000. 1 0.84617494E+01 0.48155296E-02-0.18093067E-05 0.30078642E-09-0.18372137E-13 2 -0.14327160E+05-0.17060508E+02 0.21966949E+01 0.31455190E-01-0.50745522E-04 3 0.43579038E-07-0.14735014E-10-0.12946099E+05 0.13298479E+02-0.11262239E+05 4 C4 R 79 C 4 0 0 0G 200.000 6000.000 1000. 1 0.56307710E+01 0.48313818E-02-0.15041681E-05 0.20289460E-09-0.10036092E-13 2 0.12250094E+06-0.29887309E+01 0.33227750E+01 0.20259234E-01-0.37345213E-04 3 0.35685909E-07-0.12771861E-10 0.12272364E+06 0.68097958E+01 0.12434933E+06 4 C4CL6 Butadiene T08/00C 4.CL 6. 0. 0.G 200.000 6000.000 1000. 1 2.21980993E+01 5.83006041E-03-2.25806563E-06 3.82826576E-10-2.36983327E-14 2 -1.93181619E+04-7.45658167E+01 5.11650693E+00 7.63368754E-02-1.23398475E-04 3 1.00027196E-07-3.19528806E-11-1.56350963E+04 8.26053886E+00-1.16243050E+04 4 C4F6 T12/82C 4F 6 0 0G 300.000 5000.0 1000. 1 0.20649826E+02 0.63778609E-02-0.24356023E-05 0.40486192E-09-0.24477111E-13 2 -0.12834769E+06-0.75434682E+02 0.61921721E+01 0.40591445E-01-0.14628447E-04 3 -0.22981666E-07 0.15799126E-10-0.12425062E+06 0.15772644E+00-0.12077197E+06 4 F6C4 T12/82F 6C 4 0 0G 300.000 5000.000 1000. 1 0.19723373E+02 0.81368275E-02-0.30685842E-05 0.50541860E-09-0.30311613E-13 2 -0.15313506E+06-0.72023473E+02 0.60944862E+01 0.36527760E-01-0.68788740E-05 3 -0.24970031E-07 0.14493539E-10-0.14896744E+06 0.49672994E+00-0.14563498E+06 4 C4F8 CY T11/94C 4F 8 0 0G 298.150 5000.000 1000. 1 0.25859659E+02 0.14057850E-01-0.86342611E-05 0.18743110E-08-0.13985280E-12 2 -0.19308325E+06-0.10861981E+03-0.64087603E+01 0.11778844E+00-0.15735373E-03 3 0.11577968E-06-0.37112295E-10-0.18418883E+06 0.56186329E+02-0.18204320E+06 4 C4F10 T12/94C 4F 10 0 0G 298.150 5000.000 1000. 1 0.30442529E+02 0.87222991E-02-0.36625862E-05 0.67841011E-09-0.46225435E-13 2 -0.26830628E+06-0.12239409E+03-0.43510861E+00 0.11003166E+00-0.12712106E-03 3 0.66741713E-07-0.13106885E-10-0.26083419E+06 0.32565014E+02-0.25707075E+06 4 C4H T12/91C 4H 1 0 0G 200.000 6000.000 1000. 1 0.77680939E+01 0.49850386E-02-0.17648839E-05 0.28217408E-09-0.16779623E-13 2 0.93912126E+05-0.14159577E+02 0.13210657E+01 0.38562824E-01-0.71343174E-04 3 0.65319977E-07-0.22607050E-10 0.95021629E+05 0.15554575E+02 0.96617600E+05 4 C4H2 butadiyne T07/04C 4.H 2. 0. 0.G 200.000 6000.000 1000. 1 8.68978130E+00 6.69732229E-03-2.34774865E-06 3.72759231E-10-2.20554548E-14 2 5.19942624E+04-2.20010465E+01-5.84768273E-01 5.33506727E-02-9.50805952E-05 3 8.37959674E-08-2.80912179E-11 5.36111160E+04 2.09878997E+01 5.51203407E+04 4 C4H2N2 Fumaroni T05/04C 4.H 2.N 2. 0.G 200.000 6000.000 1000. 1 1.02609796E+01 1.05849090E-02-3.83686580E-06 6.23219249E-10-3.74697958E-14 2 3.56975913E+04-2.56899378E+01 3.08972201E+00 3.01705916E-02-2.22304023E-05 3 6.22606240E-09 3.38798598E-13 3.77312220E+04 1.14967588E+01 3.98094704E+04 4 C4H3 E-1yl RadicalT06/04C 4.H 3. 0. 0.G 200.000 6000.000 1000. 1 8.44631306E+00 9.07291526E-03-3.18681201E-06 5.06725048E-10-3.00149855E-14 2 6.20007365E+04-1.77938854E+01 5.54263934E-01 3.86185425E-02-4.70818280E-05 3 3.06240321E-08-7.90588421E-12 6.37974910E+04 2.10542043E+01 6.53200393E+04 4 C4H3 i-2yl Rad T06/04C 4.H 3. 0. 0.G 200.000 6000.000 1000. 1 8.51181244E+00 9.03337808E-03-3.17602594E-06 5.05276458E-10-2.99379699E-14 2 5.71046116E+04-1.51017769E+01 3.37964170E+00 2.70498840E-02-2.90761572E-05 3 1.83027765E-08-4.81164203E-12 5.83688723E+04 1.05464883E+01 6.03558069E+04 4 C4H4 1-butene-3 T06/04C 4.H 4. 0. 0.G 200.000 6000.000 1000. 1 7.98456038E+00 1.20558816E-02-4.23587475E-06 6.73646140E-10-3.99059864E-14 2 3.11993029E+04-1.67958975E+01 1.37368786E+00 2.88801256E-02-1.46863874E-05 3 -3.91045446E-09 4.78133572E-12 3.30633344E+04 1.75941274E+01 3.46213066E+04 4 C4H4 CY T 2/90C 4H 4 0 0G 200.000 6000.000 1000. 1 0.80419352E+01 0.12520407E-01-0.45234623E-05 0.73313766E-09-0.44012214E-13 2 0.42510913E+05-0.21127639E+02 0.12789207E+01 0.13420710E-01 0.41197797E-04 3 -0.69893781E-07 0.30724360E-10 0.45086412E+05 0.17678892E+02 0.46304593E+05 4 C4H4N2 PYRAZINE T 9/96C 4H 4N 2 0G 200.000 6000.000 1000. 1 0.10551339E+02 0.16036746E-01-0.58863657E-05 0.96422235E-09-0.58315531E-13 2 0.18418344E+05-0.33943388E+02 0.13116930E+01 0.14100415E-01 0.64443831E-04 3 -0.10163885E-06 0.43390536E-10 0.22143754E+05 0.19991866E+02 0.23550540E+05 4 C4H4N2 PYRIMIDINE T 9/96C 4H 4N 2 0G 200.000 6000.000 1000. 1 0.10431658E+02 0.16150995E-01-0.59292286E-05 0.97133853E-09-0.58749686E-13 2 0.18552038E+05-0.33249214E+02 0.16371390E+01 0.11977423E-01 0.68383238E-04 3 -0.10465037E-06 0.44218587E-10 0.22212482E+05 0.18656416E+02 0.23651183E+05 4 C4H4N2 SUCCINONITRT12/03C 4.H 4.N 2. 0.G 200.000 6000.000 1000. 1 1.14626097E+01 1.43425847E-02-5.26374167E-06 8.61140761E-10-5.20073439E-14 2 2.02962879E+04-3.23404065E+01 2.92554100E+00 2.74517845E-02 9.39908894E-06 3 -3.65605156E-08 1.81346873E-11 2.31092217E+04 1.41181715E+01 2.52209691E+04 4 C4H4O FURAN T03/97C 4H 4O 1 0G 200.000 6000.000 1000. 1 9.38935003E+00 1.40291241E-02-5.07755110E-06 8.24137332E-10-4.95319963E-14 2 -8.68241814E+03-2.79162920E+01 8.47469463E-01 1.31773796E-02 5.99735901E-05 3 -9.71562904E-08 4.22733796E-11-5.36785445E+03 2.14945172E+01-4.17166616E+03 4 C4H4O Vin-KETENE A 1/05C 4.H 4.O 1. 0.G 200.000 6000.000 1000. 1 9.74850463E+00 1.37125055E-02-5.05430099E-06 8.25446463E-10-4.97385204E-14 2 -1.55172564E+03-2.40662801E+01 2.45069796E+00 2.60086795E-02 1.37550849E-06 3 -2.17962924E-08 1.11438235E-11 8.71446510E+02 1.55762929E+01 2.73246650E+03 4 C4H4O2 1,4DIOXIN T11/99C 4H 4O 2 0G 200.000 5000.000 1000. 1 1.01212024E+01 1.75021756E-02-7.25353136E-06 1.37001596E-09-9.65875016E-14 2 -2.16035452E+04-3.00246825E+01 6.10172295E-01 2.69946560E-02 2.96882541E-05 3 -6.66919493E-08 3.10421420E-11-1.83649383E+04 2.26144524E+01-1.68380338E+04 4 C4H4S Thiophene T03/97C 4H 4S 1 0G 200.000 6000.000 1000. 1 1.03361791E+01 1.31485110E-02-4.75133660E-06 7.70341282E-10-4.62623029E-14 2 9.14755147E+03-3.14959122E+01-5.33958016E-01 3.04279440E-02 1.57128681E-05 3 -5.21636175E-08 2.60141958E-11 1.25779686E+04 2.72103378E+01 1.38192148E+04 4 N-C4H5 N-A 8/83C 4H 5 0 0G 300. 3000. 1000. 1 0.72559180E 01 0.17141310E-01-0.74350450E-05 0.16410520E-08-0.15360780E-12 2 0.38227410E 05-0.12422830E 02-0.20329280E 01 0.53630530E-01-0.63382690E-04 3 0.40641440E-07-0.10398020E-10 0.40219650E 05 0.32787830E 02 0.41505750E+05 4 C4H5 E-1,3-en-1-ylT05/04C 4.H 5. 0. 0.G 200.000 6000.000 1000. 1 8.11183574E+00 1.42276370E-02-5.02419535E-06 8.00816580E-10-4.75459802E-14 2 4.00134524E+04-1.52704514E+01 3.28605952E+00 1.43352325E-02 2.78456642E-05 3 -4.84612551E-08 2.10628469E-11 4.19222504E+04 1.26653969E+01 4.36993353E+04 4 C4H5 1,3-Butadi T05/04C 4.H 5. 0. 0.G 200.000 6000.000 1000. 1 8.58761100E+00 1.42683804E-02-5.04812095E-06 8.06555355E-10-4.79335634E-14 2 3.40836919E+04-1.96196761E+01 2.00881066E+00 2.50340684E-02 4.47930427E-06 3 -2.63989791E-08 1.34432880E-11 3.62069792E+04 1.59913722E+01 3.79123436E+04 4 C4H5 1,2-butadi T05/04C 4.H 5. 0. 0.G 200.000 6000.000 1000. 1 8.62801071E+00 1.37278200E-02-4.83938983E-06 7.71244955E-10-4.57512509E-14 2 3.41638737E+04-1.90962775E+01 1.49752318E+00 3.09380729E-02-1.29703258E-05 3 -7.79553217E-09 6.57219652E-12 3.62176515E+04 1.82157058E+01 3.79123436E+04 4 C4H5 1-butyne-3yl A11/04C 4.H 5. 0. 0.G 200.000 6000.000 1000. 1 9.21468577E+00 1.34950214E-02-4.82557552E-06 7.76743641E-10-4.64080569E-14 2 3.40842790E+04-2.25150877E+01 2.15910182E+00 3.04425273E-02-1.62521254E-05 3 -1.73750743E-10 2.43871422E-12 3.62155591E+04 1.46844795E+01 3.80695916E+04 4 C4H5N PYRROLE T 8/95C 4H 5N 1 0G 200.000 6000.000 1000. 1 0.97727000E+01 0.16111112E-01-0.57690298E-05 0.92973976E-09-0.55604978E-13 2 0.82631988E+04-0.30359085E+02 0.38558756E+00 0.18943518E-01 0.52673009E-04 3 -0.91458921E-07 0.40445724E-10 0.11750328E+05 0.23102254E+02 0.13010989E+05 4 C4H5N CY S03/01C 4.H 5.N 1. 0.G 200.000 6000.000 1000. 1 9.60414996E+00 1.64051790E-02-5.90335510E-06 9.54135951E-10-5.71660226E-14 2 1.75974846E+04-2.29869919E+01 2.25946164E+00 1.66431455E-02 4.50396029E-05 3 -7.61575623E-08 3.32182961E-11 2.04650359E+04 1.94239060E+01 2.21415333E+04 4 C4H6 Dime acetylenA 1/05C 4.H 6. 0. 0.G 200.000 6000.000 1000. 1 7.26055302E+00 1.80160845E-02-6.47062409E-06 1.04411453E-09-6.24741250E-14 2 1.39644246E+04-1.29484347E+01 5.39211846E+00 2.98346178E-03 5.22542032E-05 3 -6.64726627E-08 2.56305331E-11 1.55148209E+04 1.71080366E+00 1.75974868E+04 4 C4H6 1,3-butadienT05/04C 4.H 6. 0. 0.G 200.000 6000.000 1000. 1 7.62637466E+00 1.72523403E-02-6.09184911E-06 9.70800102E-10-5.76169721E-14 2 9.55306395E+03-1.48325259E+01 4.10599669E+00 5.05575563E-03 5.83885454E-05 3 -8.05950198E-08 3.27447711E-11 1.15092468E+04 8.42978067E+00 1.33302095E+04 4 C4H6 1,2-butadi T07/04C 4.H 6. 0. 0.G 200.000 6000.000 1000. 1 8.13872997E+00 1.68655431E-02-5.97324908E-06 9.54915173E-10-5.67693708E-14 2 1.55467985E+04-1.77959041E+01 2.90828336E+00 1.79025349E-02 2.61486503E-05 3 -4.81598832E-08 2.11295844E-11 1.75928783E+04 1.23118106E+01 1.94015186E+04 4 C4H6 CY T 1/90C 4H 6 0 0G 200.000 6000.000 1000. 1 0.78484947E+01 0.18081385E-01-0.65319179E-05 0.10584303E-08-0.63525891E-13 2 0.14615386E+05-0.20897529E+02 0.29163222E+01-0.32056882E-02 0.10026293E-03 3 -0.13424741E-06 0.54666711E-10 0.17473224E+05 0.12481748E+02 0.18846571E+05 4 C4H6Cl2 1,4-DiCl A 1/05C 4.H 6.CL 2. 0.G 200.000 6000.000 1000. 1 1.40516768E+01 1.60921842E-02-5.80441963E-06 9.39283307E-10-5.63156326E-14 2 -1.22360631E+04-4.07945919E+01 4.62931051E+00 2.13073668E-02 4.38338745E-05 3 -8.04356336E-08 3.58874909E-11-8.81241814E+03 1.23974998E+01-6.23988666E+03 4 C4H6Cl2 3,4-DiCl A 1/05C 4.H 6.CL 2. 0.G 200.000 6000.000 1000. 1 1.40848232E+01 1.62550619E-02-5.81516500E-06 9.32238501E-10-5.54701708E-14 2 -1.24076239E+04-4.17350351E+01 4.06180136E+00 2.62058396E-02 3.31510353E-05 3 -7.07152661E-08 3.26980783E-11-8.98755786E+03 1.37617837E+01-6.44318619E+03 4 C4H6O 2,5DHFURAN T 3/97C 4H 6O 1 0G 200.000 5000.000 1000. 1 8.60658242E+00 2.08310051E-02-8.42229481E-06 1.56717640E-09-1.09391202E-13 2 -1.76177415E+04-2.32464750E+01 2.67053463E+00 4.92586420E-03 8.86967406E-05 3 -1.26219194E-07 5.23991321E-11-1.46572472E+04 1.45722395E+01-1.30831522E+04 4 CH3-CO-O-O-CO-CH3 T 8/03C 4.H 6.O 4. 0.G 200.000 6000.000 1000. 1 1.47808728E+01 2.21808904E-02-8.32215014E-06 1.39901235E-09-8.64737754E-14 2 -6.68299981E+04-4.65855726E+01 3.60213807E+00 3.52492892E-02 2.10387409E-05 3 -5.57591215E-08 2.58211049E-11-6.28644087E+04 1.54613635E+01-6.01358348E+04 4 2,5 C4H6S T 3/97C 4H 6S 1 0G 200.000 5000.000 1000. 1 1.00854835E+01 1.90975958E-02-7.20771905E-06 1.28890804E-09-8.80278600E-14 2 5.53885520E+03-2.96760237E+01 1.04681536E+00 2.39100306E-02 4.05153733E-05 3 -7.65294400E-08 3.42334612E-11 8.85389773E+03 2.14459803E+01 1.04516081E+04 4 C4H7 tt-1buten- T05/04C 4.H 7. 0. 0.G 200.000 6000.000 1000. 1 8.15646382E+00 1.90308835E-02-6.73262214E-06 1.07333098E-09-6.36886441E-14 2 2.55826427E+04-1.61428872E+01 4.19857522E+00 1.19616999E-02 4.23864923E-05 3 -6.30299109E-08 2.59475110E-11 2.75256555E+04 8.57181248E+00 2.95712937E+04 4 C4H7 trans-1-Bu T05/04C 4.H 7. 0. 0.G 200.000 6000.000 1000. 1 8.16688868E+00 1.95680375E-02-6.95694878E-06 1.11504166E-09-6.64079384E-14 2 2.37537003E+04-1.77041242E+01 3.77145965E+00 1.46544157E-02 3.70080802E-05 3 -5.72714455E-08 2.36641011E-11 2.58014506E+04 9.11906641E+00 2.78022108E+04 4 C4H7 trans-2-Bu T05/04C 4.H 7. 0. 0.G 200.000 6000.000 1000. 1 7.26612168E+00 1.99858497E-02-7.12030976E-06 1.14276142E-09-6.81206632E-14 2 2.31915554E+04-1.09941637E+01 7.61389036E+00-9.06922602E-03 8.28486476E-05 3 -9.61203624E-08 3.59333528E-11 2.44971584E+04-5.90519467E+00 2.69231159E+04 4 C4H7 3-buten-1-ylT05/04C 4.H 7. 0. 0.G 200.000 6000.000 1000. 1 8.49073768E+00 1.91056974E-02-6.74370664E-06 1.07343267E-09-6.36251837E-14 2 2.04659294E+04-1.74555814E+01 5.07355313E+00 5.27619329E-03 6.23441322E-05 3 -8.54203458E-08 3.45890031E-11 2.24615054E+04 5.60318035E+00 2.46070249E+04 4 C4H7 1-meth-allylT05/04C 4.H 7. 0. 0.G 200.000 6000.000 1000. 1 8.08107449E+00 1.95526544E-02-6.93149115E-06 1.10889183E-09-6.59584410E-14 2 1.22822959E+04-1.67137903E+01 4.54746808E+00 4.63771460E-03 6.61340221E-05 3 -8.97456502E-08 3.61716165E-11 1.43843217E+04 7.30313471E+00 1.63702936E+04 4 C4H7 2-me-allyl T05/04C 4.H 7. 0. 0.G 200.000 6000.000 1000. 1 8.34970451E+00 1.92508033E-02-6.81360221E-06 1.08484853E-09-6.42422082E-14 2 1.24406647E+04-1.87060633E+01 2.38739541E+00 2.06784631E-02 2.89299685E-05 3 -5.37553477E-08 2.35670326E-11 1.47584145E+04 1.55529104E+01 1.65497991E+04 4 C4H7 cyclobutyl T05/04C 4.H 7. 0. 0.G 250.000 6000.000 1000. 1 8.09128993E+00 2.02621283E-02-7.25107191E-06 1.16753044E-09-6.97639239E-14 2 2.33277928E+04-1.99030399E+01 4.52750826E+00-8.02608115E-03 1.13185713E-04 3 -1.46032732E-07 5.85457045E-11 2.59670561E+04 7.19739565E+00 2.76992393E+04 4 C4H7O T 6/92C 4H 7O 1 0G 298.150 5000.000 1000. 1 0.89768844E+01 0.22749346E-01-0.86722034E-05 0.15338364E-08-0.10284024E-12 2 -0.21339874E+04-0.18032447E+02 0.67110277E+00 0.45702301E-01-0.40527985E-04 3 0.28517489E-07-0.10017095E-10-0.55084866E+03 0.25800808E+02-0.24758260E+04 4 C4H7O 2MALLYLOXY A 2/05C 4.H 7.O 1. 0.G 200.000 6000.000 1000. 1 1.02561681E+01 2.00758775E-02-7.17606810E-06 1.15056131E-09-6.84810173E-14 2 1.87761041E+03-2.67248159E+01 3.43287860E+00 2.32281283E-02 2.72682151E-05 3 -5.29221716E-08 2.32310074E-11 4.50163234E+03 1.22337781E+01 6.70485886E+03 4 C4H8 T 6/83C 4H 8 0 0G 300.000 5000. 1000. 1 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2 -0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3 -0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4 H8C4 T 6/83H 8C 4 0 0G 300.000 5000.0 1000. 1 0.44609470E+01 0.29611487E-01-0.13077129E-04 0.26571934E-08-0.20134713E-12 2 -0.50066758E+04 0.10803180E+01 0.26471405E+01 0.25902957E-01 0.81985354E-05 3 -0.22193259E-07 0.88958580E-11-0.40373069E+04 0.12689550E+02-0.20626591E+04 4 C4H8TRANS T 6/83C 4H 8 0 0G 300.000 5000.00 1000. 1 0.82797676E+00 0.35864539E-01-0.16634498E-04 0.34732759E-08-0.26657398E-12 2 -0.30521033E+04 0.21355710E+02 0.12594252E+01 0.27808424E-01 0.87013932E-05 3 -0.24402205E-07 0.98977710E-11-0.29647742E+04 0.20514290E+02-0.13181775E+04 4 C4H8CIS T 6/83C 4H 8 0 0G 300.000 5000. 1000. 1 0.11097383E+01 0.35542578E-01-0.16481703E-04 0.34412202E-08-0.26411468E-12 2 -0.26507607E+04 0.19366680E+02 0.24108791E+01 0.25147773E-01 0.98473047E-05 3 -0.22716758E-07 0.86585895E-11-0.27758694E+04 0.14097700E+02-0.89121300E+03 4 MUSTARD S(CH2CH2 S03/01CL 2.S 1.C 4.H 8.G 200.000 6000.000 1000. 1 1.61928145E+01 2.41315425E-02-8.73508032E-06 1.41727945E-09-8.51392369E-14 2 -2.22775039E+04-5.17666230E+01 7.43521829E+00 1.61310615E-02 7.70227933E-05 3 -1.16433505E-07 4.87658485E-11-1.84131265E+04 9.21100356E-01-1.50059210E+04 4 beta HMX HF298 C 4H 8N 8O 8S 273.000 544.000 544. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.98869800E+01-1.81294708E-01 1.61616631E-03 3 -3.42368773E-06 2.30310099E-09 2.53647933E+03-8.79398440E+01 9.00757832E+03 4 C4H8N8O8 HMX T 6/98C 4H 8N 8O 8G 200.000 6000.000 1000. 1 3.44746335E+01 4.64515729E-02-1.79061365E-05 2.98652447E-09-1.81854443E-13 2 7.27250557E+03-1.48183270E+02 8.14013076E+00 8.33153720E-02 2.72627839E-05 3 -9.98161338E-08 4.69225870E-11 1.63985782E+04-3.22778664E+00 2.25944283E+04 4 C4H8O Methyl Al T 7/04C 4.H 8.O 1. 0.G 200.000 6000.000 1000. 1 1.05847949E+01 2.25064337E-02-7.95991069E-06 1.27168200E-09-7.55781638E-14 2 -2.45297393E+04-3.10486089E+01 3.74727997E+00 1.98199995E-02 4.63745935E-05 3 -7.56066224E-08 3.19921712E-11-2.16544825E+04 9.31161697E+00-1.93808867E+04 4 C4H8O T 5/92C 4H 8O 1 0G 200.000 6000.000 1000. 1 0.10155224E+02 0.22543521E-01-0.81766338E-05 0.13266807E-08-0.79735407E-13 2 -0.33635513E+05-0.25571125E+02 0.63433693E+01 0.94237046E-02 0.55004487E-04 3 -0.73507239E-07 0.28504736E-10-0.31332537E+05 0.88015186E-01-0.28668253E+05 4 C4H8O DiMethylOxyrT 7/04C 4.H 8.O 1. 0.G 200.000 6000.000 1000. 1 1.03381768E+01 2.25389675E-02-8.02838070E-06 1.28860864E-09-7.68280865E-14 2 -2.17087991E+04-3.13135418E+01 3.97206991E+00 1.28761957E-02 6.71545910E-05 3 -9.89399808E-08 4.09976684E-11-1.87300487E+04 7.87415863E+00-1.65563315E+04 4 C4H8O EthylOxyran T 7/04C 4.H 8.O 1. 0.G 200.000 6000.000 1000. 1 9.75283779E+00 2.36899014E-02-8.50522197E-06 1.36844358E-09-8.16432018E-14 2 -1.90579489E+04-2.69575674E+01 4.93938398E+00 5.44816194E-04 1.01222605E-04 3 -1.34563349E-07 5.40808612E-11-1.60974477E+04 6.34373652E+00-1.39466499E+04 4 C4H8O T.H.FURAN T 3/97C 4H 8O 1 0G 200.000 5000.000 1000. 1 6.97323971E+00 2.88949921E-02-1.16992973E-05 2.17090268E-09-1.51075478E-13 2 -2.67236416E+04-1.44239686E+01 4.08780471E+00-1.16647870E-02 1.44507977E-04 3 -1.83315676E-07 7.25734431E-11-2.38006675E+04 1.16117821E+01-2.21516361E+04 4 C4H8O2 DIOXANE T03/97C 4H 8O 2 0G 200.000 6000.000 1000. 1 1.09080022E+01 2.65730193E-02-9.70934955E-06 1.58519471E-09-9.56379521E-14 2 -4.38420203E+04-3.79862937E+01 3.64975602E+00 3.21199783E-03 1.12973931E-04 3 -1.50581748E-07 6.00072918E-11-3.97765405E+04 9.86785750E+00-3.78167324E+04 4 (ACETIC ACID)2 L 4/85C 4H 8O 4 0G 300.000 5000.000 1000. 1 0.16889709E 02 0.24042282E-01-0.81198195E-05 0.12043047E-08-0.64287172E-13 2 -0.11939869E 06-0.56889542E 02 0.38098164E 01 0.43781001E-01 0.49562641E-05 3 -0.34783344E-07 0.16188592E-10-0.11480044E 06 0.15119080E 02-0.11173555E 06 4 C4H8O4 Tetraoxoca T11/99C 4H 8O 4 0G 200.000 5000.000 1000. 1 1.23990610E+01 3.33828188E-02-1.36133532E-05 2.53106627E-09-1.76207962E-13 2 -8.13386934E+04-4.28948598E+01 3.51394172E+00 1.62812222E-02 1.01537862E-04 3 -1.46551354E-07 5.97417135E-11-7.69994933E+04 1.27220188E+01-7.45924895E+04 4 C4H8S T.H.THIOPHE T 3/97C 4H 8S 1 0G 200.000 5000.000 1000. 1 1.05353487E+01 2.35320902E-02-8.77376230E-06 1.56515072E-09-1.06979035E-13 2 -9.48200844E+03-3.23144630E+01 1.55153937E+00 2.25556797E-02 5.70166001E-05 3 -9.59127084E-08 4.15407376E-11-5.90019315E+03 1.99054134E+01-4.10126393E+03 4 1,4-C4H8S2 T03/97C 4H 8S 2 0G 200.000 6000.000 1000. 1 1.36035997E+01 2.38171520E-02-8.63455848E-06 1.40243589E-09-8.43096867E-14 2 -6.54885251E+03-4.84322813E+01 1.50684634E+00 3.27456314E-02 4.42731895E-05 3 -8.78680150E-08 3.94466672E-11-2.14083750E+03 1.96208497E+01 0.00000000E+00 4 1,3-C4H8S2 T03/97C 4H 8S 2 0G 200.000 6000.000 1000. 1 1.37583597E+01 2.38041270E-02-8.65896154E-06 1.40951445E-09-8.48640095E-14 2 -7.81751735E+03-4.84750572E+01 1.60889846E+00 3.27014397E-02 4.42707028E-05 3 -8.76314400E-08 3.92785746E-11-3.37238305E+03 1.99277613E+01-1.20271670E+03 4 C4H9 n-butyl T 7/04C 4.H 9. 0. 0.G 200.000 6000.000 1000. 1 8.97401527E+00 2.39704154E-02-8.48703645E-06 1.35644127E-09-8.06234913E-14 2 5.19161526E+03-2.31075609E+01 4.73737837E+00 9.69051565E-03 6.63846383E-05 3 -9.24799302E-08 3.74006099E-11 7.57382332E+03 4.91063455E+00 9.83838903E+03 4 C4H9 s-butyl T 6/04C 4.H 9. 0. 0.G 200.000 6000.000 1000. 1 7.72287211E+00 2.43427284E-02-8.65476475E-06 1.38712529E-09-8.26084187E-14 2 4.15004489E+03-1.43949625E+01 5.42089393E+00-9.12146870E-04 8.84998581E-05 3 -1.12115531E-07 4.38222782E-11 6.28927311E+03 5.04210029E+00 8.44598852E+03 4 C4H9 isobutyl rad T 6/04C 4.H 9. 0. 0.G 200.000 6000.000 1000. 1 9.61250942E+00 2.28581786E-02-8.06391309E-06 1.28556553E-09-7.62730799E-14 2 4.15218608E+03-2.66485099E+01 3.34476784E+00 2.31869650E-02 3.28261040E-05 3 -5.96398514E-08 2.58980820E-11 6.66201200E+03 9.68860372E+00 8.87422590E+03 4 C4H9 t-butyl T 6/04C 4.H 9. 0. 0.G 200.000 6000.000 1000. 1 6.72557390E+00 2.53649194E-02-9.05306262E-06 1.45474620E-09-8.67934112E-14 2 2.57430692E+03-8.89920414E+00 6.45910754E+00-1.02015930E-02 1.06310577E-04 3 -1.25717030E-07 4.75543216E-11 4.43420391E+03 1.30648608E+00 6.61981524E+03 4 C4H9N PYRROLIDINE T 3/95C 4H 9N 1 0G 200.000 6000.000 1000. 1 0.91914472E+01 0.27301993E-01-0.98874802E-05 0.16049052E-08-0.96462592E-13 2 -0.59280463E+04-0.26546544E+02 0.55475933E+01-0.20299796E-01 0.17343060E-03 3 -0.21528524E-06 0.84721240E-10-0.23303304E+04 0.56593427E+01-0.43177529E+03 4 NITRO-BUTANE T05/98C 4H 9N 1O 2G 200.000 6000.000 1000. 1 1.27918861E+01 2.96302599E-02-1.10618131E-05 1.81914243E-09-1.10094356E-13 2 -2.40186756E+04-4.05022397E+01 4.50296897E+00 1.41859282E-02 9.14552906E-05 3 -1.29431188E-07 5.23563809E-11-1.98606730E+04 1.15748426E+01-1.73106533E+04 4 C4H9O n-butoxy r A08/04C 4.H 9.O 1. 0.G 200.000 6000.000 1000. 1 1.21336180E+01 2.43954328E-02-9.04409323E-06 1.48350965E-09-8.96467065E-14 2 -1.29883091E+04-3.89685328E+01 5.61984431E+00 2.12772932E-03 1.02679749E-04 3 -1.34097807E-07 5.25493048E-11-9.21442557E+03 4.46683857E+00-6.77732206E+03 4 C4H9O i-butoxy r A08/04C 4.H 9.O 1. 0.G 200.000 6000.000 1000. 1 1.16309708E+01 2.47981574E-02-9.01550536E-06 1.46714720E-09-8.83214518E-14 2 -1.37854612E+04-3.81956151E+01 3.80297372E+00 1.56874209E-02 6.81105412E-05 3 -9.83346774E-08 3.95261902E-11-1.00832243E+04 9.78963305E+00-7.82602559E+03 4 C4H9O s-butoxy r A09/04C 4.H 9.O 1. 0.G 200.000 6000.000 1000. 1 1.23515300E+01 2.40070435E-02-8.82800485E-06 1.44359362E-09-8.71114711E-14 2 -1.46466302E+04-4.13524913E+01 4.43662987E+00 1.00289940E-02 8.56583118E-05 3 -1.18678067E-07 4.74411822E-11-1.07133878E+04 8.21507294E+00-8.40019580E+03 4 C4H9O T butoxy r A08/04C 4.H 9.O 1. 0.G 200.000 6000.000 1000. 1 1.27371509E+01 2.33707342E-02-8.50516678E-06 1.38519973E-09-8.34398061E-14 2 -1.66940150E+04-4.53156321E+01 2.77057100E+00 2.68033175E-02 4.12718360E-05 3 -7.22054739E-08 3.02642276E-11-1.27079262E+04 1.21532856E+01-1.04543262E+04 4 C4H10 L 4/85C 4H 10 0 0G 300.000 5000.000 1000. 1 0.10525002E 02 0.23590874E-01-0.78538906E-05 0.11456114E-08-0.59930956E-13 2 -0.20495137E 05-0.32192017E 02 0.15764151E 01 0.34589723E-01 0.69701609E-05 3 -0.28163637E-07 0.12375117E-10-0.17147004E 05 0.17872742E 02-0.15126872E 05 4 I-C4H10 I-L 4/85C 4H 10 0 0G 300.000 5000.000 1000. 1 0.10854125E 02 0.23317061E-01-0.77685427E-05 0.11348074E-08-0.59397203E-13 2 -0.21728570E 05-0.35915939E 02 0.54559016E 00 0.37825324E-01 0.56197796E-05 3 -0.30570963E-07 0.14058456E-10-0.18034047E 05 0.21129608E 02-0.16193704E 05 4 C4H10FO2P SARIN T 9/96 WARNING! G 200.000 6000.000 1000. 1 0.18578606E+02 0.30137329E-01-0.10920099E-04 0.17729267E-08-0.10654834E-12 2 -0.12429242E+06-0.68579536E+02 0.52448929E+01 0.45868801E-01 0.21805453E-04 3 -0.61857475E-07 0.28400543E-10-0.11952678E+06 0.55156043E+01-0.11584048E+06 4 C4H10O-N T07/96C 4H 10O 1 0G 200.000 6000.000 1000. 1 0.13084060E+02 0.26489386E-01-0.10030766E-04 0.16703993E-08-0.10204842E-12 2 -0.39853115E+05-0.42581058E+02 0.59455772E+01 0.23216158E-02 0.10865741E-03 3 -0.14026051E-06 0.54446937E-10-0.35620542E+05 0.52265747E+01-0.33036174E+05 4 C4H10O-S T07/96C 4H 10O 1 0G 200.000 6000.000 1000. 1 0.11644218E+02 0.25565041E-01-0.91441752E-05 0.14708132E-08-0.87878387E-13 2 -0.40944516E+05-0.32554307E+02 0.52699764E+01 0.14103965E-01 0.70685163E-04 3 -0.10285799E-06 0.42246905E-10-0.37834271E+05 0.72163727E+01-0.35194974E+05 4 C4H10O-T T07/96C 4H 10O 1 0G 200.000 6000.000 1000. 1 0.12195905E+02 0.25213437E-01-0.89531088E-05 0.14332117E-08-0.85400239E-13 2 -0.43495400E+05-0.39715527E+02 0.41048907E+01 0.23022720E-01 0.53016433E-04 3 -0.87928571E-07 0.37588572E-10-0.40159890E+05 0.77499347E+01-0.37600349E+05 4 C4N2 J 3/61C 4N 2 0 0G 300.000 5000.000 1000. 1 0.10042150E 02 0.66359589E-02-0.27599729E-05 0.51846134E-09-0.36297628E-13 2 0.60605931E 05-0.24861763E 02 0.42279276E 01 0.31558920E-01-0.47552144E-04 3 0.38601109E-07-0.12435513E-10 0.61848577E 05 0.31801730E 01 0.64158691E-05 4 C5 R 79 C 5 0 0 0G 200.000 6000.000 1000. 1 0.95745339E+01 0.38602096E-02-0.14755973E-05 0.24805134E-09-0.15266141E-13 2 0.12305353E+06-0.23713600E+02 0.33587697E+01 0.32434654E-01-0.59304509E-04 3 0.56009855E-07-0.20306838E-10 0.12437624E+06 0.60490139E+01 0.12639642E+06 4 C5F12 FC 41-12 T12/94C 5F 12 0 0G 298.150 5000.000 1000. 1 0.36667427E+02 0.11143649E-01-0.46707310E-05 0.86434283E-09-0.58866364E-13 2 -0.31952055E+06-0.15059131E+03 0.41651260E+00 0.12785646E+00-0.14464730E-03 3 0.74809522E-07-0.14534599E-10-0.31055833E+06 0.32067147E+02-0.30588830E+06 4 C5H T12/81C 5H 1 0 0G 300.000 5000.000 1000. 1 0.86957493E+01 0.60543008E-02-0.20160105E-05 0.28928926E-09-0.14700995E-13 2 0.90310687E+05-0.21029110E+02 0.16348248E+01 0.25095381E-01-0.12066364E-04 3 -0.10465111E-07 0.88099883E-11 0.92124875E+05 0.15135100E+02 0.93598280E+05 4 C5H2 T12/81C 5H 2 0 0G 300.000 5000.000 1000. 1 0.11329175E+02 0.74240565E-02-0.26281887E-05 0.40825410E-09-0.23013326E-13 2 0.78787062E+05-0.36184340E+02 0.30623217E+01 0.27099982E-01-0.10091697E-04 3 -0.12727451E-07 0.91672191E-11 0.81149687E+05 0.70842413E+01 0.83156537E+05 4 C5H2Cl2O 3,4-Cyc T06/03C 5.H 2.O 1.CL 2.G 200.000 6000.000 1000. 1 1.57844051E+01 1.13161217E-02-4.17819275E-06 6.87366689E-10-4.17039260E-14 2 -7.74449233E+03-5.36347657E+01 1.25636860E+00 5.24381406E-02-4.28285490E-05 3 1.08399553E-08 1.86208134E-12-3.81291739E+03 2.10643718E+01-1.46370622E+03 4 C5H2Cl3 1,3,4 Cyc T 6/03C 5.H 2.CL 3. 0.G 200.000 6000.000 1000. 1 1.68990170E+01 1.02613023E-02-3.78469676E-06 6.22286260E-10-3.77437852E-14 2 1.18158638E+04-5.72327613E+01 1.95135592E+00 5.38396460E-02-4.68814466E-05 3 1.40727391E-08 9.77870650E-13 1.57742002E+04 1.92546669E+01 1.83630785E+04 4 C5H3 T 2/92C 5H 3 0 0G 200.000 6000.000 1000. 1 0.10296658E+02 0.10470124E-01-0.37746103E-05 0.61077326E-09-0.36621089E-13 2 0.68439389E+05-0.27338507E+02 0.15946538E+01 0.43378369E-01-0.56253789E-04 3 0.41304029E-07-0.12456939E-10 0.70491079E+05 0.15644812E+02 0.72473303E+05 4 C5H3 1,4DIYNE3YL T 3/94C 5H 3 0 0G 200.000 6000.000 1000. 1 0.11453917E+02 0.92730586E-02-0.33071124E-05 0.53138989E-09-0.31710350E-13 2 0.63604544E+05-0.32238569E+02-0.32458342E-01 0.59449660E-01-0.93606717E-04 3 0.76931684E-07-0.24822627E-10 0.65960596E+05 0.22810663E+02 0.67906573E+05 4 C5H3 CY T 3/94C 5H 3 0 0G 200.000 6000.000 1000. 1 0.10397501E+02 0.10548283E-01-0.38462526E-05 0.62738447E-09-0.37836482E-13 2 0.79435481E+05-0.30539213E+02-0.30279743E+00 0.31376032E-01 0.30789383E-05 3 -0.35937535E-07 0.19474441E-10 0.82652282E+05 0.26395722E+02 0.83921947E+05 4 C5H3Cl3O 1-hydro T06/03C 5.H 3.O 1.CL 3.G 200.000 6000.000 1000. 1 1.97505887E+01 1.23107559E-02-4.45238080E-06 7.22906086E-10-4.34762350E-14 2 -2.01911038E+04-7.16503477E+01 4.45787154E-01 7.64329241E-02-8.51510547E-05 3 4.54054089E-08-8.84467176E-12-1.54582149E+04 2.52357971E+01-1.25948492E+04 4 C5H3N CyanoVinyl A01/05C 5.H 3.N 1. 0.G 200.000 6000.000 1000. 1 1.12214716E+01 1.21359183E-02-4.33358316E-06 6.96955569E-10-4.16178238E-14 2 4.63247595E+04-3.05570137E+01 1.68494050E+00 4.34233565E-02-4.45293097E-05 3 2.43654701E-08-5.26531282E-12 4.87437574E+04 1.75458535E+01 5.08284058E+04 4 C5H4 1,3-diyne A 1/05C 5.H 4. 0. 0.G 200.000 6000.000 1000. 1 9.31656215E+00 1.37165199E-02-4.87209640E-06 7.80513961E-10-4.64725769E-14 2 4.56259628E+04-2.31942358E+01 2.12483066E+00 3.62486885E-02-3.30843646E-05 3 1.74658596E-08-3.85998715E-12 4.75470659E+04 1.34500476E+01 4.95321196E+04 4 C5H4 1,4-DIYNE A 1/05C 5.H 4. 0. 0.G 200.000 6000.000 1000. 1 1.01601157E+01 1.27915774E-02-4.50070751E-06 7.16461181E-10-4.24716335E-14 2 5.02537981E+04-2.60574377E+01 5.79688527E-01 4.87731655E-02-5.94800335E-05 3 4.04270841E-08-1.11749295E-11 5.24687091E+04 2.11761240E+01 5.43584707E+04 4 C5H4 TETRAENE A 1/05C 5.H 4. 0. 0.G 200.000 6000.000 1000. 1 9.72209830E+00 1.34135944E-02-4.77702792E-06 7.66673595E-10-4.57075766E-14 2 4.93744234E+04-2.60458810E+01 1.80277794E+00 3.60967201E-02-2.72177915E-05 3 7.91927363E-09 4.78650599E-13 5.15394138E+04 1.46808125E+01 5.34567064E+04 4 C5H4 1,2 diene4yneA 2/05C 5.H 4. 0. 0.G 200.000 6000.000 1000. 1 1.02698973E+01 1.30734761E-02-4.68904953E-06 7.56153447E-10-4.52307822E-14 2 4.78277442E+04-2.75295590E+01 8.65430272E-01 4.15170326E-02-3.54484283E-05 3 1.30559494E-08-6.24737386E-13 5.03045116E+04 2.04152757E+01 5.21201629E+04 4 C5H4 CY T 3/94C 5H 4 0 0G 200.000 6000.000 1000. 1 0.10106809E+02 0.13457466E-01-0.48862383E-05 0.79465424E-09-0.47821691E-13 2 0.61714735E+05-0.30155332E+02 0.98338482E+00 0.21429446E-01 0.33390071E-04 3 -0.66941379E-07 0.30563346E-10 0.64905174E+05 0.20682801E+02 0.66327982E+05 4 C5H4N CHAIN T 7/92C 5H 4N 1 0G 298.150 3000.000 1000. 1 0.15596313E+02 0.75129941E-02-0.12797594E-05 0.00000000E+00 0.00000000E+00 2 0.51193603E+05-0.54112281E+02 0.26651107E+01 0.35935483E-01-0.16911955E-04 3 0.00000000E+00 0.00000000E+00 0.55124292E+05 0.14606907E+02 0.57366700E+05 4 C5H4N CY T 6/92C 5H 4N 1 0G 298.150 3000.000 1000. 1 0.15000314E+02 0.85494897E-02-0.15120770E-05 0.00000000E+00 0.00000000E+00 2 0.39253830E+05-0.57218867E+02-0.18358976E+01 0.42242509E-01-0.18567008E-04 3 0.00000000E+00 0.00000000E+00 0.44928510E+05 0.33916009E+02 0.46094647E+05 4 C5H4O CY CPE-ONE T 8/99C 5H 4O 1 0G 200.000 6000.000 1000. 1 1.00806824E+01 1.61143465E-02-5.83314509E-06 9.46759320E-10-5.68972206E-14 2 1.94364771E+03-2.94521623E+01 2.64576497E-01 3.34873827E-02 1.67738470E-06 3 -2.96207455E-08 1.54431476E-11 5.11159287E+03 2.35409513E+01 6.64245999E+03 4 C5H4O2 3 ketene T 8/99C 5H 4O 2 0G 298.150 5000.000 1000. 1 1.70051783E+01 1.18777410E-02-4.42932164E-06 7.73145824E-10-5.13171774E-14 2 -2.23799192E+04-6.06575687E+01-2.49445917E+00 7.89809618E-02-8.99756000E-05 3 4.41706654E-08-5.54927126E-12-1.76662551E+04 3.66197220E+01-1.56097810E+04 4 C5H5 1yne3ene5yl A 1/05C 5.H 5. 0. 0.G 200.000 6000.000 1000. 1 1.12334577E+01 1.37755916E-02-4.88589306E-06 7.81744763E-10-4.65008043E-14 2 4.16520916E+04-3.05396799E+01 1.04253561E+00 4.42423548E-02-3.60781742E-05 3 1.09482099E-08 7.03473990E-13 4.43154478E+04 2.14097777E+01 4.62959333E+04 4 C5H5 CY T12/89C 5H 5 0 0G 200.000 6000.000 1000. 1 0.10844072E+02 0.15392831E-01-0.55630422E-05 0.90189440E-09-0.54156619E-13 2 0.26950886E+05-0.35254983E+02-0.95902849E+00 0.31396777E-01 0.26724050E-04 3 -0.68942183E-07 0.33301983E-10 0.30779441E+05 0.29072780E+02 0.32004580E+05 4 C5H5N 1-Cyano A 2/05C 5.H 5.N 1. 0.G 200.000 6000.000 1000. 1 1.18240384E+01 1.67108077E-02-6.02084839E-06 9.70590626E-10-5.80113765E-14 2 2.35732846E+04-3.37413725E+01 2.78936308E+00 3.21194174E-02 3.46293916E-06 3 -3.07848335E-08 1.58396908E-11 2.65017082E+04 1.51281661E+01 2.87382006E+04 4 C5H5N PYRIDINE T 3/95C 5H 5N 1 0G 200.000 6000.000 1000. 1 0.10737274E+02 0.18411346E-01-0.67089960E-05 0.10937092E-08-0.65928113E-13 2 0.11511982E+05-0.35580435E+02 0.12333682E+01 0.14084676E-01 0.73775044E-04 3 -0.11405870E-06 0.48433017E-10 0.15439523E+05 0.20414274E+02 0.16882534E+05 4 C5H4OH CYCLO RAD T 8/99C 5H 5O 1 0G 200.000 6000.000 1000. 1 1.33741248E+01 1.51996469E-02-5.45685046E-06 8.80944866E-10-5.27493258E-14 2 2.20358027E+03-4.59569069E+01-1.28398054E+00 4.90298511E-02-1.35844414E-05 3 -2.92983743E-08 1.90820619E-11 6.37364803E+03 3.08073591E+01 8.00114499E+03 4 1,3C5H5O RADICAL T 4/91C 5H 5O 1 0G 200.000 6000.000 1000. 1 0.12606535E+02 0.16747067E-01-0.61097587E-05 0.99674576E-09-0.60111834E-13 2 0.14114657E+04-0.42604911E+02 0.23043601E+00 0.32322572E-01 0.28900908E-04 3 -0.70680613E-07 0.33407174E-10 0.55554724E+04 0.25330946E+02 0.71922458E+04 4 1,4C5H5O RADICAL T 4/91C 5H 5O 1 0G 200.000 6000.000 1000. 1 0.12711510E+02 0.16650171E-01-0.60741189E-05 0.99090150E-09-0.59758183E-13 2 0.66172961E+04-0.43161680E+02 0.45438248E-01 0.33871750E-01 0.25637288E-04 3 -0.67844135E-07 0.32508364E-10 0.10797244E+05 0.26058142E+02 0.12424063E+05 4 2,4-c-C5H5O D 9/97C 5H 5O 1 0G 300.000 3000.000 1000. 1 0.85405312E+01 0.22989510E-01-0.95437563E-05 0.17061612E-08-0.97459360E-13 2 0.22263699E+05-0.20818825E+02-0.30777600E+01 0.52581679E-01-0.28856513E-04 3 -0.33885479E-08 0.63361399E-11 0.25510455E+05 0.39591522E+02 0.26570048E+05 4 C5H5O2 2-pentene T 8/99C 5H 5O 2 0G 298.150 5000.000 1000. 1 1.46629817E+01 1.65541793E-02-6.29149065E-06 1.11259736E-09-7.44617493E-14 2 -1.63990894E+04-4.40514968E+01-3.53400779E+00 8.32842318E-02-1.14653205E-04 3 9.02774159E-08-2.94687646E-11-1.18588987E+04 4.67266279E+01-1.00593011E+04 4 C5H6 Vinyl-Allen T02/02C 5.H 6. 0. 0.G 200.000 6000.000 1000. 1 1.01926736E+01 1.80721370E-02-6.49266545E-06 1.04421432E-09-6.22835300E-14 2 2.57023788E+04-2.67860465E+01 2.70515049E+00 2.98831529E-02 2.74090664E-06 3 -2.51726901E-08 1.25975560E-11 2.82287948E+04 1.40821373E+01 3.03439649E+04 4 C5H6 1en-2yne T 4/94C 5H 6 0 0G 298.150 5000.000 1000. 1 0.11961729E+02 0.14213107E-01-0.37135572E-05 0.53054857E-09-0.32337040E-13 2 0.24700248E+05-0.36324258E+02 0.18057462E+01 0.29748651E-01 0.88584433E-05 3 -0.31819540E-07 0.14349539E-10 0.28108939E+05 0.19197135E+02 0.29991713E+05 4 C5H6 3en-1yne T 4/94C 5H 6 0 0G 298.150 5000.000 1000. 1 0.12461757E+02 0.14686414E-01-0.48422257E-05 0.80222734E-09-0.52391736E-13 2 0.25378034E+05-0.39930098E+02 0.16581871E+01 0.36047209E-01-0.79525384E-05 3 -0.15547159E-07 0.88371326E-11 0.28847420E+05 0.18120095E+02 0.30847182E+05 4 CYCLOPENTADIENE T 1/90C 5H 6 0 0G 200.000 6000.000 1000. 1 0.99757848E+01 0.18905543E-01-0.68411461E-05 0.11099340E-08-0.66680236E-13 2 0.11081693E+05-0.32209454E+02 0.86108957E+00 0.14804031E-01 0.72108895E-04 3 -0.11338055E-06 0.48689972E-10 0.14801755E+05 0.21353453E+02 0.16152485E+05 4 C5H6N2 T 9/96C 5H 6N 2 0G 200.000 6000.000 1000. 1 0.13806658E+02 0.20732346E-01-0.74781249E-05 0.12110605E-08-0.72674834E-13 2 0.78210347E+04-0.50686216E+02-0.37783801E+00 0.42946164E-01 0.15869990E-04 3 -0.59636577E-07 0.29397526E-10 0.12433786E+05 0.26323931E+02 0.14266192E+05 4 2,4-C5H5OH T 4/91C 5H 6O 1 0G 200.000 6000.000 1000. 1 0.12073957E+02 0.19167781E-01-0.69148807E-05 0.11197648E-08-0.67186779E-13 2 -0.47916482E+04-0.40662174E+02 0.15607391E+01 0.22274522E-01 0.57195791E-04 3 -0.99408942E-07 0.43757325E-10-0.83475005E+03 0.19351929E+02 0.95014619E+03 4 1,3-C5H5OH T 4/91O 1C 5H 6 0G 200.000 6000.000 1000. 1 0.12696134E+02 0.18618412E-01-0.67184339E-05 0.10881502E-08-0.65298439E-13 2 -0.88025224E+04-0.44039241E+02-0.22499411E-01 0.36512400E-01 0.22970166E-04 3 -0.65452226E-07 0.31611123E-10-0.46272736E+04 0.25340697E+02-0.29226016E+04 4 1,4 C5H5OH T 4/91O 1C 5H 6 0G 200.000 6000.000 1000. 1 0.12734997E+02 0.18582251E-01-0.67050926E-05 0.10859592E-08-0.65165720E-13 2 -0.91625548E+04-0.44227527E+02-0.84687145E-01 0.36826867E-01 0.22761297E-04 3 -0.65709925E-07 0.31839396E-10-0.49692504E+04 0.25639055E+02-0.32713894E+04 4 C5H7 1,3-diene-5ylA 1/05C 5.H 7. 0. 0.G 200.000 6000.000 1000. 1 1.00547248E+01 2.09923400E-02-7.61351868E-06 1.23001919E-09-7.35400707E-14 2 1.98179446E+04-2.63876649E+01 3.25248853E+00 1.80695920E-02 4.89541094E-05 3 -7.98199491E-08 3.41337844E-11 2.26467060E+04 1.37042774E+01 2.47104544E+04 4 C5H7 1,4-diene-3ylA 1/05C 5.H 7. 0. 0.G 200.000 6000.000 1000. 1 1.01206141E+01 2.19623708E-02-8.13808356E-06 1.32677709E-09-7.97014062E-14 2 1.97304588E+04-2.73862410E+01 2.36470149E+00 2.39388874E-02 3.85164588E-05 3 -7.07659775E-08 3.11379069E-11 2.27262660E+04 1.71124336E+01 2.47104544E+04 4 C5H7 Cy-1en-1-yl A 9/04C 5.H 7. 0. 0.G 200.000 6000.000 1000. 1 9.74013709E+00 2.15079576E-02-7.71169114E-06 1.24352828E-09-7.43887470E-14 2 1.56355223E+04-2.89664925E+01 2.31203194E+00 7.01023600E-03 9.35725543E-05 3 -1.33744658E-07 5.55553794E-11 1.91721662E+04 1.72892593E+01 2.07617132E+04 4 C5H7 Cy-1en-4-yl A 9/04C 5.H 7. 0. 0.G 200.000 6000.000 1000. 1 8.58774652E+00 2.23806578E-02-7.98587176E-06 1.28324922E-09-7.65681699E-14 2 2.23083592E+04-2.28844345E+01 2.84227879E+00 7.67441692E-03 8.13034074E-05 3 -1.15127705E-07 4.74968151E-11 2.52319161E+04 1.37757573E+01 2.69336656E+04 4 C5H7CL T 2/92C 5H 7CL 1 0G 298.150 5000.000 1000. 1 0.25397667E+02 0.22132288E-02-0.18399465E-06 0.00000000E+00 0.00000000E+00 2 -0.29035978E+04-0.10856612E+03 0.30282986E+01 0.39111282E-01-0.15685560E-04 3 0.00000000E+00 0.00000000E+00 0.60520027E+04 0.16669045E+02 0.85546833E+04 4 C5H7CL2 T 7/95C 5H 7CL 2 0G 298.150 5000.000 1000. 1 0.20682058E+02 0.97162863E-02-0.88311605E-06 0.00000000E+00 0.00000000E+00 2 -0.10994753E+04-0.88530581E+02 0.17386362E+01 0.51281909E-01-0.24336075E-04 3 0.00000000E+00 0.00000000E+00 0.48145961E+04 0.12419440E+02 0.73972850E+04 4 C5H7NO T10/94C 5H 7N 1O 1G 298.150 5000.000 1000. 1 0.11348162E+02 0.26153783E-01-0.10147863E-04 0.18274196E-08-0.12448116E-12 2 -0.18497976E+05-0.27546501E+02 0.70321296E+01 0.17114461E-01 0.43753706E-04 3 -0.64537212E-07 0.25693936E-10-0.16201998E+05 0.23072915E-01-0.13073530E+05 4 C5H7O Cy C5H7-O* A10/04C 5.H 7.O 1. 0.G 200.000 6000.000 1000. 1 1.18245290E+01 2.25156780E-02-8.11965644E-06 1.31442052E-09-7.88442567E-14 2 5.47509398E+03-3.89405519E+01 2.16396289E+00 1.45387805E-02 8.65448177E-05 3 -1.31349889E-07 5.55584547E-11 9.60790169E+03 1.87490468E+01 1.14305666E+04 4 C5H8 1,3 Pentadi A12/04C 5.H 8. 0. 0.G 200.000 6000.000 1000. 1 1.06253702E+01 2.34322094E-02-8.61216410E-06 1.40664328E-09-8.47997015E-14 2 4.64864607E+03-3.18725934E+01 3.47443097E+00 1.48104285E-02 6.38218646E-05 3 -9.32324174E-08 3.78929523E-11 8.03001422E+03 1.19810267E+01 1.01217000E+04 4 C5H8 ISOPRENE T 5/96C 5H 8 0 0G 298.150 5000.000 1000. 1 0.10991663E+02 0.22439484E-01-0.81159626E-05 0.13948336E-08-0.92194080E-13 2 0.40581428E+04-0.32980170E+02-0.36106649E+01 0.74856698E-01-0.83303221E-04 3 0.52256651E-07-0.13581639E-10 0.74967178E+04 0.39483975E+02 0.91082217E+04 4 C5H8 CY T 2/90C 5H 8 0 0G 200.000 5000.000 1000. 1 0.77244792E+01 0.28322316E-01-0.11545236E-04 0.21540815E-08-0.15054178E-12 2 -0.78261573E+03-0.19769698E+02 0.26898140E+01 0.20954550E-02 0.11303687E-03 3 -0.15408070E-06 0.62763658E-10 0.23139663E+04 0.15294056E+02 0.39328836E+04 4 C5H8CL T 2/92C 5H 8CL 1 0G 298.150 5000.000 1000. 1 0.21008537E+02 0.10412247E-01-0.10360547E-05 0.00000000E+00 0.00000000E+00 2 0.11221103E+03-0.83375603E+02 0.18765490E+01 0.47421032E-01-0.20297237E-04 3 0.00000000E+00 0.00000000E+00 0.70229095E+04 0.21260602E+02 0.95107950E+04 4 PETN Solid T 4/99C 5H 8N 4O 12S 293.000 550.000 550. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 2.77774680E+02-1.73349082E+00 3.09926721E-03 3 8.72626335E-07-2.15382459E-09-9.86240953E+04-1.19475100E+03-6.47639849E+04 4 C5H8N4O12 PETN T11/97C 5H 8N 4O 12G 200.000 6000.000 1000. 1 4.20349983E+01 4.16412378E-02-1.62923542E-05 2.75856914E-09-1.70123449E-13 2 -6.48342117E+04-1.86444303E+02 1.01315796E+01 7.43819642E-02 7.88205030E-05 3 -1.68073189E-07 7.47114699E-11-5.32738211E+04-8.13692751E+00-4.65475416E+04 4 C5H8O CYCLO s 6/01C 5.H 8.O 1. 0.G 200.000 6000.000 1000. 1 1.18281301E+01 2.54559905E-02-9.23804947E-06 1.50152163E-09-9.03124687E-14 2 -6.20167876E+03-4.10040237E+01 2.19956819E+00 1.63298885E-02 8.59366244E-05 3 -1.28808586E-07 5.37997847E-11-1.93544980E+03 1.70106687E+01-2.37417479E+01 4 C5H8O CYC5H8=O S 8/01C 5.H 8.O 1. 0.G 298.150 5000.000 1000. 1 1.34024641E+01 2.29553078E-02-8.80050628E-06 1.57006737E-09-1.05933291E-13 2 -2.25367767E+04-4.72998282E+01-7.51957847E+00 8.44958153E-02-8.13099567E-05 3 4.27652063E-08-9.49561842E-12-1.66360187E+04 6.05544479E+01-1.57607460E+04 4 C5H9 Cyclopentyl A12/04C 5.H 9. 0. 0.G 200.000 6000.000 1000. 1 9.62172581E+00 2.69929422E-02-9.68947889E-06 1.56341602E-09-9.35571341E-14 2 7.88729754E+03-2.98816293E+01 3.95252891E+00-2.62301053E-03 1.27596618E-04 3 -1.67919906E-07 6.73888175E-11 1.14767941E+04 9.87654675E+00 1.33659379E+04 4 C5H9 T 2/92C 5H 9 0 0G 298.150 3000.000 1000. 1 0.20313000E+02 0.10869880E-01-0.19063805E-05 0.00000000E+00 0.00000000E+00 2 0.94061603E+04-0.82533815E+02 0.11430827E+01 0.44350789E-01-0.17825470E-04 3 0.00000000E+00 0.00000000E+00 0.16967656E+05 0.24181940E+02 0.19122233E+05 4 H9C5 T 2/92C 5H 9 0 0G 298.150 3000.000 1000. 1 0.20445128E+02 0.10907665E-01-0.17916513E-05 0.00000000E+00 0.00000000E+00 2 0.37740200E+04-0.84800566E+02 0.34671311E+00 0.46758622E-01-0.19207040E-04 3 0.00000000E+00 0.00000000E+00 0.11574896E+05 0.26704158E+02 0.13586850E+05 4 C5H9 3M1BUTEN3YL T 5/96C 5H 9 0 0G 298.150 5000.000 1000. 1 0.10525096E+02 0.26132390E-01-0.98482454E-05 0.17295482E-08-0.11536188E-12 2 0.43545451E+04-0.31794253E+02 0.41170174E+01 0.21052833E-01 0.46247772E-04 3 -0.72799250E-07 0.29713776E-10 0.72701012E+04 0.68883799E+01 0.97120817E+04 4 C5H9 3M1BUTEN1YL T 5/96C 5H 9 0 0G 298.150 5000.000 1000. 1 0.12467494E+02 0.22329954E-01-0.76869307E-05 0.12651997E-08-0.80609456E-13 2 0.19913799E+05-0.38859739E+02 0.19660139E+01 0.45617488E-01-0.92039963E-05 3 -0.28501148E-07 0.18371669E-10 0.23028331E+05 0.16461958E+02 0.25513085E+05 4 C5H9 3M1BUTEN4YL T 5/96C 5H 9 0 0G 298.150 5000.000 1000. 1 0.13126454E+02 0.20337031E-01-0.63441521E-05 0.99697655E-09-0.62523110E-13 2 0.15559475E+05-0.41449511E+02-0.17838437E+01 0.72924194E-01-0.86508640E-04 3 0.64737446E-07-0.21365264E-10 0.19223118E+05 0.33121120E+02 0.21286065E+05 4 C5H9N T 2/92C 5H 9N 1 0G 200.000 6000.000 1000. 1 0.11833534E+02 0.28098151E-01-0.10182947E-04 0.16536607E-08-0.99405120E-13 2 0.26418000E+04-0.46192454E+02 0.17693067E+01 0.16923937E-01 0.94000576E-04 3 -0.13916857E-06 0.57777745E-10 0.71954216E+04 0.14882677E+02 0.90579000E+04 4 C5H10 1-PENTENE 1-P12/52C 5H 10 0 0G 300.000 5000.000 1000. 1 0.12541454E 02 0.23941070E-01-0.77445529E-05 0.11157970E-08-0.57968116E-13 2 -0.87175352E 04-0.39854187E 02 0.17627859E 01 0.38902789E-01 0.58380774E-05 3 -0.30547188E-07 0.13839465E-10-0.48109883E 04 0.19929169E 02-0.25594116E 04 4 C5H10 2-PENTENE 2-P12/52C 5H 10 0 0G 298.150 5000.000 1000. 1 0.94842492E+01 0.29600248E-01-0.11393033E-04 0.20468617E-08-0.13936013E-12 2 -0.89116325E+04-0.23775434E+02 0.18750517E+01 0.37994733E-01 0.57083514E-05 3 -0.29082134E-07 0.13102964E-10-0.60663547E+04 0.18907614E+02-0.38194145E+04 4 C5H10 2MB-1ene T11/95C 5H 10 0 0G 298.150 5000.000 1000. 1 0.10169614E+02 0.29142736E-01-0.11304015E-04 0.20426202E-08-0.13964602E-12 2 -0.97185802E+04-0.27826511E+02 0.15343285E+01 0.40535723E-01 0.26841152E-05 3 -0.27784359E-07 0.12941501E-10-0.66019829E+04 0.20108917E+02-0.43679207E+04 4 C5H10 2MB-2ene T11/95C 5H 10 0 0G 298.150 5000.000 1000. 1 0.86980441E+01 0.30551374E-01-0.11746424E-04 0.21071085E-08-0.14329275E-12 2 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0.44826119E+02-0.26922092E+05 4 N-C5H11 n-pentyl T03/97C 5H 11 0 0G 298.150 5000.000 1000. 1 1.13309915E+01 3.03697959E-02-1.13963838E-05 1.99610398E-09-1.32881065E-13 2 7.35080645E+02-3.13492414E+01 3.57937980E+00 3.04191686E-02 3.27870896E-05 3 -5.86554303E-08 2.39351280E-11 4.08346324E+03 1.42560613E+01 6.68774949E+03 4 S-C5H11 1m-butyl T03/97C 5H 11 0 0G 298.150 5000.000 1000. 1 1.05838403E+01 3.11018862E-02-1.17149660E-05 2.05728548E-09-1.37198647E-13 2 -1.80355565E+02-2.72603116E+01 7.53834570E+00 7.11191190E-03 7.97981697E-05 3 -1.00325084E-07 3.76603045E-11 2.39183947E+03-3.31129273E+00 5.48002949E+03 4 T-C5H11 T-L 5/87C 5H 11 0 0G 298.150 5000.000 1000. 1 0.67232314E 01 0.36074004E-01-0.14425089E-04 0.26385814E-08-0.18130546E-12 2 -0.66929018E 03-0.68507985E 01 0.18160004E 01 0.25384068E-01 0.46807718E-04 3 -0.70666410E-07 0.27488045E-10 0.19643507E 04 0.24638344E 02 0.39209036E 04 4 C5H11 neopentyl T03/97C 5H 11 0 0G 298.150 5000.000 1000. 1 2.60303371E+01-3.89073388E-03 1.18835338E-05-2.05929731E-09 1.06754076E-13 2 -5.66523187E+03-1.12796509E+02-4.46503561E+00 9.32367831E-02-1.41121240E-04 3 1.52613544E-07-6.83999414E-11 2.30110241E+03 4.28019931E+01 4.13644099E+03 4 NITRO-PENTANE T06/98C 5H 11N 1O 2G 200.000 6000.000 1000. 1 1.59382106E+01 3.48884183E-02-1.29633850E-05 2.12755256E-09-1.28618354E-13 2 -2.80406921E+04-5.83080492E+01 4.00703926E+00 2.29727394E-02 1.04023119E-04 3 -1.55573589E-07 6.44328697E-11-2.26341947E+04 1.39586649E+01-1.97764150E+04 4 C5H12 P10/85C 5H 12 0 0G 298.150 5000.000 1000. 1 0.13546998E 02 0.28421786E-01-0.94174648E-05 0.13893589E-08-0.74212609E-13 2 -0.24577680E 05-0.47034348E 02 0.18983679E 01 0.41203037E-01 0.12312175E-04 3 -0.36589501E-07 0.15042509E-10-0.20091500E 05 0.18665909E 02-0.17651280E 05 4 I-C5H12 I-P10/85C 5H 12 0 0G 298.150 5000.000 1000. 1 0.12327787E 02 0.30613087E-01-0.98415785E-05 0.13919776E-08-0.70337345E-13 2 -0.25037492E 05-0.41146667E 02 0.10832882E 01 0.44571076E-01 0.82389934E-05 3 -0.35258047E-07 0.15785762E-10-0.20807535E 05 0.21781982E 02-0.18485976E 05 4 CH3C(CH3)2CH3 P10/85C 5H 12 0 0G 298.150 5000.000 1000. 1 0.10110416E 02 0.35349566E-01-0.11039967E-04 0.14777721E-08-0.68467042E-13 2 -0.25806711E 05-0.33770157E 02 0.72638994E 00 0.48125476E-01 0.15917458E-05 3 -0.26692458E-07 0.12078282E-10-0.22407980E 05 0.18314041E 02-0.20196259E 05 4 C5H12O(L) T08/00C 5.H 12.O 1. 0.L 200.000 310.000 310. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.81730017E+01-1.70292004E-02 1.27817452E-04 3 -5.81277666E-08-4.62085850E-11-4.33711851E+04-7.15912586E+01-3.77171956E+04 4 C5H12O tC4H9OCH3 T08/00C 5.H 12.O 1. 0.G 200.000 6000.000 1000. 1 1.33868819E+01 3.29283214E-02-1.18027402E-05 1.90207547E-09-1.13712190E-13 2 -4.07919507E+04-4.60060101E+01 4.24395629E+00 3.82110434E-02 2.49992458E-05 3 -5.45089669E-08 2.33555478E-11-3.71488062E+04 6.40373322E+00-3.40609368E+04 4 C6 linear A09/04C 6. 0. 0. 0.G 200.000 6000.000 1000. 1 1.09690747E+01 5.40080233E-03-2.05587055E-06 3.44673440E-10-2.11743818E-14 2 1.54041379E+05-2.89517984E+01 3.01754669E+00 3.79181685E-02-6.06833596E-05 3 5.23078196E-08-1.79226696E-11 1.55866233E+05 9.92611478E+00 1.58010033E+05 4 C6CL6 T 1/92C 6CL 6 0 0G 298.150 6000.000 1000. 1 0.25828477E+02 0.83148412E-02-0.33076208E-05 0.57000698E-09-0.35641306E-13 2 -0.13505569E+05-0.99653026E+02 0.46643307E+01 0.79424296E-01-0.98554390E-04 3 0.61217228E-07-0.15381401E-10-0.82398803E+04 0.66783480E+01-0.40760550E+04 4 C6D5,phenyl g 1/01C 6.D 5. 0. 0.G 200.000 6000.000 1000. 1 1.42048142E+01 1.62416818E-02-6.14709484E-06 1.02680905E-09-6.29242933E-14 2 3.15140960E+04-5.29078812E+01-2.42438172E+00 5.49431516E-02-2.56858433E-05 3 -1.26752764E-08 1.11056357E-11 3.64972825E+04 3.48056612E+01 3.79697661E+04 4 C6D6 L12/84C 6D 6 0 0G 300.000 5000.000 1000. 1 0.15619864E 02 0.17123934E-01-0.62012759E-05 0.98493058E-09-0.56891557E-13 2 -0.14433052E 03-0.63901352E 02-0.20701218E 01 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1000. 1 0.12532801E+02 0.87766321E-02-0.31329616E-05 0.50371820E-09-0.30071921E-13 2 0.79784338E+05-0.38858580E+02-0.54109216E+00 0.74532628E-01-0.13578252E-03 3 0.12226630E-06-0.41825207E-10 0.82115132E+05 0.21882710E+02 0.84288792E+05 4 C6H2CL3O RAD T 6/03C 6.H 2.O 1.CL 3.G 200.000 6000.000 1000. 1 2.02798797E+01 1.29194844E-02-4.81871155E-06 7.97954205E-10-4.86299607E-14 2 -1.12907568E+04-7.45021576E+01 2.39930652E+00 6.22028801E-02-4.88719347E-05 3 1.03520477E-08 3.04767726E-12-6.37525850E+03 1.77969078E+01-3.30506548E+03 4 C6HCL3OH 3-YL RADT 6/03C 6.H 2.O 1.CL 3.G 200.000 6000.000 1000. 1 2.07200382E+01 1.18233128E-02-4.36636375E-06 7.18769650E-10-4.36384388E-14 2 4.25092666E+03-7.50784561E+01 3.12110317E-01 8.16782350E-02-9.99655571E-05 3 6.30326984E-08-1.62053682E-11 9.25165496E+03 2.71083126E+01 1.22087772E+04 4 C6H2Cl3O3 Sym BiCyT07/03C 6.H 2.CL 3.O 3.G 200.000 6000.000 1000. 1 2.61260505E+01 1.31211452E-02-4.90861350E-06 8.14544010E-10-4.97157498E-14 2 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2.24157823E+01 8.76673882E+04 4 C6H3CL3O TriClPhenT 6/03C 6.H 3.O 1.CL 3.G 200.000 6000.000 1000. 1 2.00548095E+01 1.48689736E-02-5.41339688E-06 8.82942340E-10-5.32711832E-14 2 -3.07414767E+04-7.38666469E+01 1.04736140E+00 7.13669355E-02-6.63730092E-05 3 2.75555456E-08-3.25677598E-12-2.56905886E+04 2.33240058E+01-2.27397646E+04 4 C6H3Cl3O linear S03/01C 6.H 3.CL 3.O 1.G 298.150 3000.000 1000. 1 6.44233770E+00 5.41042263E-02-2.06267600E-05 3.49123249E-09-2.24394761E-13 2 -7.07280084E+03 2.19999991E+00 5.90519827E+00 5.06643694E-02-1.50612584E-05 3 2.45538664E-09-9.38609447E-13-6.26909577E+03 7.09136936E+00-2.38524700E+03 4 C6H2Cl3OOH Cy T 7/03C 6.H 3.CL 3.O 2.G 200.000 6000.000 1000. 1 2.30154197E+01 1.51042221E-02-5.54122582E-06 9.08005114E-10-5.49482329E-14 2 -4.23211655E+04-8.83191815E+01 8.72968514E-02 9.12361582E-02-1.04155296E-04 3 5.98780411E-08-1.36147269E-11-3.66182071E+04 2.69710455E+01-3.33453204E+04 4 o-C6H3I A02/05C 6.H 3.I 1. 0.G 200.000 6000.000 1000. 1 1.23664997E+01 1.44154130E-02-5.30221073E-06 8.69725869E-10-5.26502768E-14 2 6.02606420E+04-3.68149578E+01 1.73680180E+00 3.27198158E-02 3.97132301E-06 3 -3.27880868E-08 1.66569238E-11 6.37194990E+04 2.07131016E+01 6.56697749E+04 4 TRI-NITRO BENZEN T 5/98C 6H 3N 3O 6G 200.000 6000.000 1000. 1 2.87195273E+01 2.08056280E-02-8.03680268E-06 1.35348056E-09-8.32405765E-14 2 -3.92148064E+03-1.15710853E+02 2.18818193E+00 1.02515207E-01-1.05642628E-04 3 5.50716150E-08-1.13737832E-11 3.11892525E+03 1.95711122E+01 7.49792832E+03 4 1,2-C6H4 BENZYNE A02/05C 6.H 4. 0. 0.G 200.000 6000.000 1000. 1 1.05707063E+01 1.56860613E-02-5.68267148E-06 9.22956737E-10-5.54966417E-14 2 5.04976657E+04-3.32563927E+01 7.21604591E-01 2.47976151E-02 3.16372209E-05 3 -6.53230986E-08 2.96082142E-11 5.39797980E+04 2.16733825E+01 5.54615216E+04 4 1,3-C6H4 BENZYNE A02/05C 6.H 4. 0. 0.G 200.000 6000.000 1000. 1 1.10822567E+01 1.52050006E-02-5.50413279E-06 8.93543569E-10-5.37122075E-14 2 5.78788327E+04-3.59993464E+01 1.90321135E-01 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-0.39802078E+04-0.49287611E+02 0.47593240E+01 0.25922476E-01 0.79813586E-04 3 -0.12504262E-06 0.52491365E-10 0.46852943E+03 0.10765884E+02 0.35225167E+04 4 C6H13 2MP-5YL T11/95C 6H 13 0 0G 298.150 5000.000 1000. 1 0.14754628E+02 0.33919022E-01-0.12689277E-04 0.22271946E-08-0.14866840E-12 2 -0.35776345E+04-0.49992114E+02 0.47593240E+01 0.25922476E-01 0.79813586E-04 3 -0.12504262E-06 0.52491365E-10 0.87110276E+03 0.10061380E+02 0.39250900E+04 4 C6H13-S T 2/96C 6H 13 0 0G 298.150 5000.000 1000. 1 0.14511108E+02 0.33358885E-01-0.11999136E-04 0.20518802E-08-0.13465057E-12 2 -0.55776023E+04-0.47880048E+02 0.36434591E+01 0.34219233E-01 0.54975178E-04 3 -0.96175903E-07 0.41130761E-10-0.11610352E+04 0.15269750E+02 0.17612583E+04 4 C6H13 2ME 2PENTYL T 1/96C 6H 13 0 0G 298.150 5000.000 1000. 1 0.14787344E+02 0.33564827E-01-0.12439889E-04 0.21695366E-08-0.14420253E-12 2 -0.63729344E+04-0.49282628E+02 0.17444927E+01 0.53357363E-01-0.14532582E-05 3 -0.30094741E-07 0.14338677E-10-0.17190682E+04 0.22662382E+02 0.11070767E+04 4 C6H14(L) n-Hexan P 4/85C 6H 14 0 0L 200.000 360.000 360. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-2.48595294E+00 2.71217579E-01-1.10760648E-03 3 1.64476492E-06 0.00000000E+00-2.86708461E+04 3.61031929E+00-2.38932305E+04 4 C6H14 NORMAL T12/91C 6H 14 0 0G 298.150 5000.000 1000. 1 0.12646645E+02 0.40048601E-01-0.15409786E-04 0.27681299E-08-0.18844568E-12 2 -0.26927099E+05-0.39820376E+02 0.33825662E+01 0.39576622E-01 0.42248448E-04 3 -0.76881274E-07 0.31538782E-10-0.23079536E+05 0.14434471E+02-0.20075747E+05 4 H14C6 T12/91H 14C 6 0 0G 298.150 5000.000 1000. 1 0.13108042E+02 0.39278025E-01-0.14080404E-04 0.24208876E-08-0.16060487E-12 2 -0.28005811E+05-0.43334246E+02-0.18831303E+00 0.62825959E-01-0.96052544E-05 3 -0.26183767E-07 0.13717321E-10-0.23599561E+05 0.28793617E+02-0.20993420E+05 4 C6H14 3MP T12/91C 6H 14 0 0G 298.150 5000.000 1000. 1 0.11469782E+02 0.42180865E-01-0.15849621E-04 0.28068586E-08-0.18972023E-12 2 -0.27169579E+05-0.34201883E+02 0.25431966E+00 0.58351247E-01-0.40723274E-07 3 -0.34483028E-07 0.16336350E-10-0.23291682E+05 0.27495401E+02-0.20683119E+05 4 C6H14 2,2-DMB T12/91C 6H 14 0 0G 298.150 5000.000 1000. 1 0.96971555E+01 0.46148235E-01-0.16623012E-04 0.28333468E-08-0.18611414E-12 2 -0.28192059E+05-0.27863620E+02 0.64064618E+00 0.56146894E-01 0.55680943E-05 3 -0.37647313E-07 0.17161290E-10-0.24881231E+05 0.22759020E+02-0.22211772E+05 4 C6H14 2,3-DMB T12/91C 6H 14 0 0G 298.150 5000.000 1000. 1 0.11052547E+02 0.42967887E-01-0.15547966E-04 0.26700033E-08-0.17650517E-12 2 -0.27635374E+05-0.34063265E+02-0.24903827E+01 0.76732667E-01-0.44086761E-04 3 0.11461954E-07-0.65151136E-12-0.23564889E+05 0.37180699E+02-0.21264031E+05 4 BENZOTRIFUROXAN T 8/99C 6N 6O 6 0G 200.000 6000.000 1000. 1 3.25028258E+01 1.96519737E-02-7.62353333E-06 1.29360949E-09-8.01216134E-14 2 -1.33442030E+04-1.47193860E+02-8.43434844E-01 1.03343605E-01-6.42039528E-05 3 -7.99732470E-09 1.54458617E-11-3.76608113E+03 2.69680087E+01 4 C7 linear A09/04C 7. 0. 0. 0.G 200.000 6000.000 1000. 1 1.26083266E+01 6.67144456E-03-2.52621952E-06 4.22093703E-10-2.58706421E-14 2 1.54955065E+05-3.71489229E+01 3.38696683E+00 4.56108600E-02-7.47844134E-05 3 6.56305567E-08-2.26941954E-11 1.57024331E+05 7.67058229E+00 1.59519683E+05 4 C7F16 T12/94C 7F 16 0 0G 298.150 5000.000 1000. 1 0.49255494E+02 0.15917852E-01-0.66760164E-05 0.12359725E-08-0.84204573E-13 2 -0.42550985E+06-0.20796807E+03-0.31954899E+01 0.18606616E+00-0.21215520E-03 3 0.11047553E-06-0.21600066E-10-0.41264667E+06 0.55907556E+02-0.40699560E+06 4 C7H4 CH(CCH)3 T08/02C 7.H 4. 0. 0.G 200.000 6000.000 1000. 1 1.29422979E+01 1.62480659E-02-5.88121491E-06 9.54331104E-10-5.73366914E-14 2 7.57321451E+04-4.32325986E+01-5.84080437E-01 5.22529624E-02-3.19358974E-05 3 -3.67937454E-09 8.15253334E-12 7.94574218E+04 2.67188586E+01 8.13198132E+04 4 C7H5N T 3/93C 7H 5N 1 0G 298.150 5000.000 1000. 1 0.13986349E+02 0.21028565E-01-0.74936815E-05 0.12924836E-08-0.86479352E-13 2 0.19941209E+05-0.50121316E+02-0.30769054E+01 0.68729237E-01-0.53234449E-04 3 0.16528583E-07-0.21922909E-12 0.24618574E+05 0.37871666E+02 0.26318232E+05 4 TNT Solid Yin HF298 C 7H 5N 3O 6S 290.000 353.800 353.8 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 4.76323267E+03-6.62925737E+01 3.45483562E-01 3 -7.95964538E-04 6.85394484E-07-2.83973511E+05-1.70349206E+04-7.59857165E+03 4 C7H5N3O6 TNT T 5/98C 7H 5N 3O 6G 200.000 6000.000 1000. 1 2.62323485E+01 3.08249282E-02-1.16857989E-05 1.94730669E-09-1.18966543E-13 2 -8.21343086E+03-1.01706192E+02 4.99444797E+00 8.99017655E-02-7.93846083E-05 3 4.28434430E-08-1.11552302E-11-1.96446053E+03 8.89961538E+00 2.89852800E+03 4 Tetryl Solid Yin T 4/99C 7H 5N 5O 8S 290.000 401.500 401.5 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-2.53679003E+03 2.97271189E+01-1.28541885E-01 3 2.45677286E-04-1.74152468E-07 1.72331689E+05 9.49458327E+03 4.93152332E+03 4 C7H6O L 3/86C 7H 6O 1 0G 298.150 5000.000 1000. 1 0.13650737E+02 0.25680419E-01-0.10466729E-04 0.19413430E-08-0.13483792E-12 2 -0.11019744E+05-0.47965796E+02-0.31627334E+01 0.66369245E-01-0.34816353E-04 3 -0.62999377E-08 0.85807101E-11-0.61169349E+04 0.40231735E+02-0.44259974E+04 4 C7H7 T08/90C 7H 7 0 0G 200.000 6000.000 1000. 1 0.14043980E+02 0.23493873E-01-0.85375367E-05 0.13890841E-08-0.83614420E-13 2 0.18564203E+05-0.51665589E+02 0.48111540E+00 0.38512832E-01 0.32861492E-04 3 -0.76972721E-07 0.35423068E-10 0.23307027E+05 0.23548820E+02 0.25317186E+05 4 C7H7 Quadricy Ap. T05/04C 7.H 7. 0. 0.G 250.000 6000.000 1000. 1 1.45613991E+01 2.25398262E-02-8.08474676E-06 1.30450216E-09-7.80859341E-14 2 5.71439268E+04-5.78471674E+01-1.70080734E+00 3.04385802E-02 8.67461662E-05 3 -1.54864793E-07 6.96237489E-11 6.29484088E+04 3.38049379E+01 6.42874387E+04 4 C7H7 Quadri Base T05/04C 7.H 7. 0. 0.G 200.000 6000.000 1000. 1 1.37020207E+01 2.35155030E-02-8.48400888E-06 1.37418106E-09-8.24731805E-14 2 6.29321526E+04-5.31007268E+01-8.65667695E-01 2.02947038E-02 1.09980739E-04 3 -1.75783782E-07 7.63992292E-11 6.86151415E+04 3.14499535E+01 6.99194396E+04 4 C7H7 QuadriShould T05/04C 7.H 7. 0. 0.G 200.000 6000.000 1000. 1 1.37942752E+01 2.34051131E-02-8.43790562E-06 1.36605463E-09-8.19586557E-14 2 6.38188219E+04-5.36181270E+01-9.44867622E-01 2.05614652E-02 1.10443183E-04 3 -1.77155804E-07 7.71416023E-11 6.95385117E+04 3.18007641E+01 7.08327779E+04 4 TOLUENE(L) P10/86C 7H 8 0 0L 178.150 500.000 500. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 2.93676022E+01-1.94722686E-01 9.74773096E-04 3 -1.91472689E-06 1.48097019E-09-4.16318442E+03-1.12019966E+02 1.46490894E+03 4 C7H8 L 6/87C 7H 8 0 0G 200.000 6000.000 1000. 1 0.12940034E+02 0.26691287E-01-0.96838505E-05 0.15738629E-08-0.94663601E-13 2 -0.69764908E+03-0.46728785E+02 0.16152663E+01 0.21099438E-01 0.85366018E-04 3 -0.13261066E-06 0.55956604E-10 0.40756300E+04 0.20282210E+02 0.60135835E+04 4 C7H8 Quadricyclen T05/04C 7.H 8. 0. 0.G 200.000 6000.000 1000. 1 1.35968758E+01 2.61807581E-02-9.41882302E-06 1.52264588E-09-9.12588456E-14 2 3.33651653E+04-5.49086727E+01-5.59833875E-01 1.42094434E-02 1.36122373E-04 3 -2.06102120E-07 8.81203349E-11 3.92576729E+04 2.92384866E+01 4.05592633E+04 4 C7H8 BICY-DIEN T 2/95C 7H 8 0 0G 200.000 6000.000 1000. 1 0.13496865E+02 0.25643891E-01-0.92836633E-05 0.15067572E-08-0.90544980E-13 2 0.22818374E+05-0.52940311E+02-0.16635648E+01 0.32118722E-01 0.77694587E-04 3 -0.13846610E-06 0.61589660E-10 0.28405811E+05 0.33057840E+02 0.29779265E+05 4 C7H8 CYTRIENE T 2/95C 7H 8 0 0G 200.000 6000.000 1000. 1 0.13258062E+02 0.26861556E-01-0.97467868E-05 0.15841995E-08-0.95289125E-13 2 0.15183137E+05-0.49026873E+02 0.85938299E+00 0.28843433E-01 0.66954232E-04 3 -0.11395939E-06 0.49164081E-10 0.20057894E+05 0.22487468E+02 0.21985661E+05 4 C7H8 1,6-DIYNE T 2/95C 7H 8 0 0G 298.150 5000.000 1000. 1 0.13001823E+02 0.25607076E-01-0.83584682E-05 0.13207200E-08-0.81972807E-13 2 0.41975255E+05-0.37320914E+02 0.99595662E+00 0.66544712E-01-0.62569423E-04 3 0.35335409E-07-0.88673880E-11 0.44836033E+05 0.22638639E+02 0.47603527E+05 4 C7H8O CRESOL L 6/87C 7H 8O 1 0G 200.000 6000.000 1000. 1 0.15932987E+02 0.27011160E-01-0.99448722E-05 0.16296689E-08-0.98513298E-13 2 -0.23592065E+05-0.59732841E+02 0.42258267E+00 0.45551636E-01 0.32012513E-04 3 -0.81121959E-07 0.37665658E-10-0.18202621E+05 0.26032903E+02-0.15911701E+05 4 C7H8O L 7/87C 7H 8O 1 0G 200.000 6000.000 1000. 1 0.15281154E+02 0.27208501E-01-0.98584660E-05 0.16012183E-08-0.96278057E-13 2 -0.19700471E+05-0.59418673E+02 0.20642021E+01 0.22775140E-01 0.95972053E-04 3 -0.15085110E-06 0.64175832E-10-0.14285021E+05 0.18148312E+02-0.12077200E+05 4 C7H10 CY T10/94C 7H 10 0 0G 298.150 5000.000 1000. 1 0.20552365E+02 0.21152399E-01-0.61510211E-05 0.93381729E-09-0.57913697E-13 2 -0.11383855E+04-0.86816803E+02-0.31141443E+01 0.88593226E-01-0.79693884E-04 3 0.35311116E-07-0.46666666E-11 0.56494240E+04 0.35689345E+02 0.80221204E+04 4 C7H10 NORBORNENE T11/01C 7.H 10. 0. 0.G 200.000 6000.000 1000. 1 1.37091008E+01 3.18949114E-02-1.15779814E-05 1.88233002E-09-1.13241586E-13 2 3.20331766E+03-5.53471380E+01 3.10951688E-01 1.46977266E-02 1.40550719E-04 3 -2.06243618E-07 8.64793395E-11 9.20346303E+03 2.60640025E+01 1.08244503E+04 4 C7H12 NORBORNANE T 2/95C 7H 12 0 0G 200.000 6000.000 1000. 1 0.12209671E+02 0.36813654E-01-0.13348120E-04 0.21681847E-08-0.13034960E-12 2 -0.13908324E+05-0.48119383E+02 0.29299287E+01-0.51738445E-02 0.19010706E-03 3 -0.25143626E-06 0.10128615E-09-0.83354164E+04 0.15423398E+02-0.64613020E+04 4 C7H12 CY-HEPTENE T 2/95C 7H 12 0 0G 200.000 6000.000 1000. 1 0.13885839E+02 0.37228089E-01-0.13526336E-04 0.22001174E-08-0.13239255E-12 2 -0.90383223E+04-0.55685410E+02 0.25521022E+01 0.14373533E-01 0.13613489E-03 3 -0.19136176E-06 0.77956555E-10-0.33917022E+04 0.15627602E+02-0.11305537E+04 4 C7H13 1-Heptenyl T 8/03C 7.H 13. 0. 0.G 298.150 5000.000 1000. 1 1.96156993E+01 2.79893895E-02-8.63561102E-06 1.37238476E-09-8.74339134E-14 2 6.68057660E+03-7.22430700E+01-7.36601903E+00 1.18305132E-01-1.40059342E-04 3 9.69766801E-08-2.75226297E-11 1.38982991E+04 6.44453158E+01 1.59016466E+04 4 C7H14 P12/52C 7H 14 0 0G 298.150 5000.000 1000. 1 0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2 -0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3 -0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4 C7H14 CY-HEPTANE T 2/95C 7H 14 0 0G 200.000 6000.000 1000. 1 0.14662282E+02 0.41924851E-01-0.15223369E-04 0.24749860E-08-0.14888013E-12 2 -0.22745683E+05-0.60364838E+02 0.31165462E+01 0.12618947E-01 0.15692523E-03 3 -0.21682238E-06 0.87851529E-10-0.16705601E+05 0.13720905E+02-0.14216111E+05 4 C7H15 P10/83C 7H 15 0 0G 200.000 5000.000 1000. 1 0.12660566E+02 0.47893065E-01-0.19735835E-04 0.37298693E-08-0.26299814E-12 2 -0.64258434E+04-0.34510489E+02 0.10280414E+02 0.70155356E-03 0.15955135E-03 3 -0.20959318E-06 0.83344532E-10-0.36030731E+04-0.10315257E+02 0.52799263E+03 4 C7H15 NEOHEPTYL T10/99C 7H 15 0 0G 298.150 5000.000 1000. 1 1.88589786E+01 3.77585789E-02-1.41626975E-05 2.49291206E-09-1.66770014E-13 2 -9.91845317E+03-7.30310151E+01 1.75482995E+00 5.73984184E-02 3.09997695E-05 3 -8.42656048E-08 3.87583179E-11-3.78376835E+03 2.20874184E+01-5.83731332E+02 4 C7H15 NEOHEPTYL-2 T10/99C 7H 15 0 0G 298.150 5000.000 1000. 1 1.81240700E+01 3.84586055E-02-1.45182003E-05 2.56761683E-09-1.72327022E-13 2 -1.11163386E+04-7.02350695E+01 2.09191664E+00 5.73477687E-02 1.54926142E-05 3 -5.34013030E-08 2.27869264E-11-5.13199239E+03 1.95330456E+01-1.91725550E+03 4 C7H15O 3,3-dimet T10/99C 7H 15O 1 0G 298.150 5000.000 1000. 1 2.09858953E+01 3.85709050E-02-1.46086654E-05 2.59555359E-09-1.75052645E-13 2 -2.75558714E+04-9.67484012E+01 1.76386765E-01 7.26245771E-02 2.14651033E-07 3 -5.23551849E-08 2.64458952E-11-2.03008094E+04 1.71949368E+01-1.71093666E+04 4 C7H16(L) n-Heptan P 4/93C 7H 16 0 0L 200.000 380.000 380. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 3.57830581E+01-1.40027125E-01 4.92015800E-04 3 -4.04170872E-07 0.00000000E+00-3.49762365E+04-1.40909575E+02-2.69829808E+04 4 C7H16 P 4/81C 7H 16 0 0G 300.000 5000.000 1000. 1 0.17470044E+02 0.42134196E-01-0.16429033E-04 0.29963565E-08-0.20648765E-12 2 -0.31665823E+05-0.64762071E+02 0.11153248E+02-0.94941543E-02 0.19557118E-03 3 -0.24975252E-06 0.98487321E-10-0.26753133E+05-0.15922774E+02-0.22568979E+05 4 C7H16 NEOHEPTAN T10/99C 7H 16 0 0G 298.150 5000.000 1000. 1 1.89468643E+01 4.04407738E-02-1.51815251E-05 2.67111667E-09-1.78560754E-13 2 -3.48922658E+04-7.70247830E+01 1.55493237E+00 5.93804185E-02 3.04203450E-05 3 -8.22181963E-08 3.74203901E-11-2.84682415E+04 2.02705469E+01-2.52414153E+04 4 C7H15OH Normal T12/98C 7H 16O 1 0G 298.150 5000.000 1000. 1 1.92489075E+01 4.21234021E-02-1.57734301E-05 2.77888406E-09-1.86276082E-13 2 -5.06734146E+04-6.88916894E+01 3.19682451E+00 6.26125522E-02 7.79555247E-06 3 -4.69733504E-08 2.13096626E-11-4.45833633E+04 2.09286236E+01-4.08611933E+04 4 C7H15OH 3,3-dime T10/99C 7H 16O 1 0G 298.150 5000.000 1000. 1 2.15383565E+01 3.99202307E-02-1.50184640E-05 2.65913985E-09-1.78970510E-13 2 -5.39238700E+04-8.57361104E+01 1.09102491E+00 7.20016043E-02 3.94354014E-06 3 -5.62818094E-08 2.79018977E-11-4.67188295E+04 2.65734430E+01-4.32565046E+04 4 C8H T 2/92C 8H 1 0 0G 298.150 5000.000 1000. 1 0.17422244E+02 0.66413688E-02-0.22557166E-05 0.36657347E-09-0.23188722E-13 2 0.13376514E+06-0.59275082E+02 0.34566807E+01 0.65220393E-01-0.98141367E-04 3 0.72046762E-07-0.20447036E-10 0.13656779E+06 0.77719815E+01 0.13976290E+06 4 C8H2 T 2/92C 8H 2 0 0G 298.150 5000.000 1000. 1 0.17007524E+02 0.93656848E-02-0.30485718E-05 0.47653534E-09-0.29169032E-13 2 0.10628021E+06-0.59224564E+02 0.12470437E+01 0.78392526E-01-0.12416148E-03 3 0.98381697E-07-0.30063943E-10 0.10942891E+06 0.16048227E+02 0.11236828E+06 4 C8H6 C6H5CCH T 9/96C 8H 6 0 0G 200.000 6000.000 1000. 1 0.15638086E+02 0.22068432E-01-0.80253111E-05 0.13065013E-08-0.78679279E-13 2 0.32272867E+05-0.59610868E+02-0.87234720E+00 0.51839614E-01 0.66079738E-05 3 -0.55950961E-07 0.29284749E-10 0.37461628E+05 0.29096304E+02 0.39467283E+05 4 C8H6O BENZOFURAN T03/04C 8.H 6.O 1. 0.G 200.000 6000.000 1000. 1 1.61267559E+01 2.42942790E-02-8.82919089E-06 1.43722155E-09-8.65592465E-14 2 -5.74867958E+03-6.40564836E+01-7.85221476E-01 3.96432449E-02 5.69751746E-05 3 -1.14831806E-07 5.19411145E-11 2.15748538E+02 3.02655928E+01 2.04461838E+03 4 C8H6O2 BENZODIOXINT02/04C 8.H 6.O 2. 0.G 200.000 6000.000 1000. 1 1.83621284E+01 2.50459070E-02-9.11651752E-06 1.48553005E-09-8.95329256E-14 2 -1.71240005E+04-7.46170206E+01-7.84950560E-01 5.20348763E-02 3.21241586E-05 3 -9.12264124E-08 4.35398430E-11-1.07661879E+04 3.00336443E+01-8.56334288E+03 4 C8H6S T12/93C 8H 6S 1 0G 298.150 5000.000 1000. 1 0.22676902E+02 0.21225910E-01-0.92726789E-05 0.17966329E-08-0.12813338E-12 2 0.89624565E+04-0.10207224E+03 0.21269350E+02-0.94299806E-01 0.35966814E-03 3 -0.39367785E-06 0.14307548E-09 0.15380490E+05-0.65269994E+02 0.19997830E+05 4 STYRENE RADICAL T 2/99C 8H 7 0 0G 200.000 6000.000 1000. 1 1.80458471E+01 2.21498794E-02-8.05082743E-06 1.30961070E-09-7.88615885E-14 2 3.87090843E+04-7.17917960E+01-8.85283632E-01 5.61565120E-02 1.16600084E-05 3 -6.99146159E-08 3.63590274E-11 4.45850990E+04 2.97497087E+01 4.67991499E+04 4 C8H7N INDOLE T03/95C 8H 7N 1 0G 200.000 6000.000 1000. 1 0.17162122E+02 0.26048457E-01-0.94598392E-05 0.15390002E-08-0.92648224E-13 2 0.10577803E+05-0.69871764E+02-0.14144508E+01 0.48636966E-01 0.43663151E-04 3 -0.10447498E-06 0.48786402E-10 0.16880142E+05 0.32418878E+02 0.18822516E+05 4 C8H8 CUBANE T12/94C 8H 8 0 0G 200.000 6000.000 1000. 1 0.16107210E+02 0.27423168E-01-0.10053212E-04 0.16453491E-08-0.99448320E-13 2 0.69973199E+05-0.72553695E+02-0.24663483E+01 0.23435851E-01 0.14037784E-03 3 -0.22354648E-06 0.97222204E-10 0.77230359E+05 0.35253221E+02 0.78381028E+05 4 C8H8 T12/94C 8H 8 0 0G 298.150 5000.000 1000. 1 0.16139277E+02 0.24210847E-01-0.72678359E-05 0.11392276E-08-0.72984881E-13 2 0.10249251E+05-0.61169437E+02-0.10717708E+02 0.12666725E+00-0.17762493E-03 3 0.14344049E-06-0.47616577E-10 0.16597133E+05 0.71526331E+02 0.17723291E+05 4 C8H9 C6H5CH2CH2* A11/04C 8.H 9. 0. 0.G 200.000 6000.000 1000. 1 1.61326962E+01 2.82904273E-02-1.01801876E-05 1.64176637E-09-9.81375329E-14 2 2.08791061E+04-6.00115413E+01 7.33299107E-01 4.59053158E-02 3.78257231E-05 3 -9.12367411E-08 4.25589678E-11 2.61572945E+04 2.50411074E+01 2.85902549E+04 4 C8H10 C6H5C2H5 A11/04C 8.H 10. 0. 0.G 200.000 6000.000 1000. 1 1.56901336E+01 3.23663075E-02-1.16864578E-05 1.88989562E-09-1.13201791E-13 2 -4.38669907E+03-6.04442403E+01 1.24076722E+00 3.59132829E-02 7.54222474E-05 3 -1.31904301E-07 5.74746803E-11 1.18391719E+03 2.24682133E+01 3.58290266E+03 4 C8H10 L 2/84C 8H 10 0 0G 300.000 5000.000 1000. 1 0.15268401E 02 0.34433573E-01-0.13685810E-04 0.21177802E-08-0.11564062E-12 2 -0.61602461E 04-0.59529587E 02-0.16422014E 01 0.58058664E-01 0.55675910E-05 3 -0.45693085E-07 0.21727536E-10 0.10412372E 03 0.34509140E 02 0.21641684E+04 4 C8H14 BicyclooctanA 8/04C 8.H 14. 0. 0.G 200.000 6000.000 1000. 1 1.40064576E+01 4.47140230E-02-1.61213297E-05 2.60903788E-09-1.56460968E-13 2 -2.05566449E+04-5.89457140E+01 3.73260509E+00-3.32416293E-03 2.11532465E-04 3 -2.78026304E-07 1.11137125E-10-1.42481792E+04 1.19565514E+01-1.19111385E+04 4 C8H15 1-octenyl- T 3/00C 8H 15 0 0G 298.150 5000.000 1000. 1 1.86031870E+01 4.07347321E-02-1.52146579E-05 2.66612666E-09-1.77710586E-13 2 3.77573497E+03-6.42994408E+01 3.96580128E+00 5.00731521E-02 4.58633610E-05 3 -9.55246040E-08 4.20968508E-11 9.47734142E+03 1.90962113E+01 1.31216392E+04 4 1-OCTENE 1-P12/52C 8H 16 0 0G 300.000 5000.000 1000. 1 0.20831284E 02 0.38294513E-01-0.12417870E-04 0.17957589E-08-0.93705913E-13 2 -0.20133141E 05-0.79240051E 02 0.26075478E 01 0.64282537E-01 0.92502323E-05 3 -0.51046708E-07 0.23316557E-10-0.13597527E 05 0.21584656E 02-0.99738727E 04 4 C8H16 CY-Octane T11/03C 8.H 16. 0. 0.G 200.000 6000.000 1000. 1 1.62542931E+01 4.84250119E-02-1.75498690E-05 2.85644879E-09-1.72185344E-13 2 -2.46997499E+04-6.86502145E+01 6.82277998E+00-1.12425965E-02 2.39077016E-04 3 -3.05326267E-07 1.20482767E-10-1.80620391E+04 4.18369785E-01-1.49617957E+04 4 N-C8H17 N-P10/83C 8H 17 0 0G 300.000 5000.000 1000. 1 0.17027115E 02 0.49380627E-01-0.19069470E-04 0.33672309E-08-0.22210039E-12 2 -0.10763527E 05-0.56252975E 02 0.26141319E 01 0.67607820E-01 0.11190068E-04 3 -0.56412340E-07 0.25483921E-10-0.57469414E 04 0.23451477E 02-0.19628570E 04 4 C8H18(L) n-Octan P10/84C 8H 18 0 0L 200.000 372.000 372. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 5.89507891E+01-3.62820096E-01 1.31981734E-03 3 -1.41611726E-06 0.00000000E+00-4.04118242E+04-2.30427236E+02-3.00994016E+04 4 OCTANE N-P 4/85C 8H 18 0 0G 300.000 5000.000 1000. 1 0.23503891E 02 0.39657507E-01-0.13128325E-04 0.19592787E-08-0.10658157E-12 2 -0.36518059E 05-0.95243149E 02 0.18952761E 01 0.69645584E-01 0.14661359E-04 3 -0.60905563E-07 0.26589383E-10-0.28789637E 05 0.24422028E 02-0.25107010E 05 4 C8H18(L) isooctan P10/84H 18C 8 0 0L 200.000 456.000 456. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 2.26508441E+01-4.36695469E-02 2.96290596E-04 3 -2.59700234E-07-4.31948017E-11-3.80663177E+04-8.73625313E+01-3.11697435E+04 4 ISO-OCTANE I-P 4/85C 8H 18 0 0G 298.150 5000.000 1000. 1 0.19396317E 02 0.48813742E-01-0.15579804E-04 0.21783064E-08-0.10839138E-12 2 -0.37133922E 05-0.78853134E 02 0.42935711E 00 0.76576948E-01 0.84130588E-05 3 -0.58660319E-07 0.27941371E-10-0.30446438E 05 0.25673538E 02-0.26942377E 05 4 C8H20PB PB(C2H5)4 T 3/04C 8.H 20.PB 1. 0.G 200.000 6000.000 1000. 1 2.44253155E+01 5.09078905E-02-1.79998968E-05 2.87408342E-09-1.70711773E-13 2 1.56186130E+03-1.01161029E+02 6.60546263E+00 6.31142954E-02 6.45009397E-05 3 -1.35534500E-07 6.13504836E-11 8.07613982E+03-7.66773249E-01 1.31817750E+04 4 C9H4 C(CCH)4 T08/02C 9.H 4. 0. 0.G 200.000 6000.000 1000. 1 1.64605249E+01 1.85278175E-02-6.71826859E-06 1.09151934E-09-6.56382337E-14 2 1.02991510E+05-6.20998849E+01-1.53821821E+00 7.49142471E-02-7.09672930E-05 3 2.98881245E-08-3.00090544E-12 1.07601282E+05 2.91040591E+01 1.09902520E+05 4 C9H7 INDENYL T 9/96C 9H 7 0 0G 200.000 6000.000 1000. 1 0.18554959E+02 0.25035076E-01-0.91457509E-05 0.14934838E-08-0.90133030E-13 2 0.25721156E+05-0.76300347E+02-0.26698729E+01 0.62177216E-01 0.15067018E-04 3 -0.79645699E-07 0.40918972E-10 0.32386969E+05 0.37861193E+02 0.34349570E+05 4 C9H7N QUINOLINE T 5/99C 9H 7N 1 0G 200.000 6000.000 1000. 1 1.85755750E+01 2.79425650E-02-1.02522932E-05 1.67898241E-09-1.01528223E-13 2 1.51294620E+04-7.75919222E+01-1.13617529E+00 4.84964316E-02 5.58565955E-05 3 -1.20326645E-07 5.49530942E-11 2.20184652E+04 3.18686011E+01 2.41168752E+04 4 C9H7N ISOQUINOLI T 5/99C 9H 7N 1 0G 200.000 6000.000 1000. 1 1.85146411E+01 2.79810705E-02-1.02625548E-05 1.68026025E-09-1.01589164E-13 2 1.56389099E+04-7.71926472E+01-8.22485356E-01 4.62854760E-02 6.07470671E-05 3 -1.24938487E-07 5.65402573E-11 2.24802772E+04 3.06200613E+01 2.46087863E+04 4 C9H8 INDENE T 9/96C 9H 8 0 0G 200.000 6000.000 1000. 1 0.17318671E+02 0.28982768E-01-0.10605059E-04 0.17334553E-08-0.10467919E-12 2 0.11151429E+05-0.71555323E+02-0.68190289E+00 0.41658733E-01 0.70741234E-04 3 -0.13430875E-06 0.59915845E-10 0.17705036E+05 0.29781396E+02 0.19741190E+05 4 C9H10 T 1/96C 9H 10 0 0G 298.150 5000.000 1000. 1 0.18890862E+02 0.31553549E-01-0.12056696E-04 0.21436164E-08-0.14430356E-12 2 0.43332577E+04-0.75568080E+02 0.58431766E+01 0.17489030E-01 0.12112118E-03 3 -0.17951022E-06 0.75443868E-10 0.10316404E+05 0.36919595E+01 0.13586850E+05 4 C9H12 C(CH=CH2)4 T08/02C 9.H 12. 0. 0.G 200.000 6000.000 1000. 1 1.88286650E+01 3.55743637E-02-1.27780689E-05 2.04613458E-09-1.21481701E-13 2 2.14164881E+04-7.08074676E+01 3.71153693E+00 5.90790308E-02 1.07786196E-05 3 -5.99861274E-08 2.99665527E-11 2.64195117E+04 1.14903545E+01 3.01426783E+04 4 C9H12 1-3-5-TMB T 8/00C 9.H 12. 0. 0.G 200.000 5000.000 1000. 1 1.67073078E+01 3.98877329E-02-1.54373742E-05 2.77050130E-09-1.87953017E-13 2 -1.09906566E+04-6.54478472E+01 3.70645582E+00 3.04050008E-02 9.36818016E-05 3 -1.42836230E-07 5.85223220E-11-4.96186950E+03 1.31400088E+01-1.93235200E+03 4 C9H12 1-2-4-TMB T 8/00C 9.H 12. 0. 0.G 200.000 5000.000 1000. 1 1.71329238E+01 3.94083582E-02-1.52208685E-05 2.72757795E-09-1.84838202E-13 2 -1.07469624E+04-6.62588105E+01 5.36104527E+00 2.74614342E-02 9.27107834E-05 3 -1.37606888E-07 5.56796764E-11-5.06812567E+03 5.85157015E+00-1.67571150E+03 4 C9H17 1-nonenyl-4 T 3/00C 9H 17 0 0G 298.150 5000.000 1000. 1 2.10867922E+01 4.61782938E-02-1.72507130E-05 3.02355150E-09-2.01567606E-13 2 3.27938951E+01-7.58751351E+01 4.36832491E+00 5.77776115E-02 4.89429265E-05 3 -1.04595584E-07 4.61873643E-11 6.51405343E+03 1.91916207E+01 1.06320156E+04 4 C9H18 1-nonene T 3/00C 9H 18 0 0G 298.150 5000.000 1000. 1 2.18154890E+01 4.80370115E-02-1.79392300E-05 3.14265715E-09-2.09387787E-13 2 -6.30911726E+04-8.29167013E+01 2.62429422E+00 7.18302704E-02 1.92494510E-05 3 -7.29310566E-08 3.39150762E-11-5.59992986E+04 2.40905648E+01-5.19822816E+04 4 N-C9H19 N-P10/83C 9H 19 0 0G 300.000 5000.000 1000. 1 0.19195267E 02 0.55439249E-01-0.21436601E-04 0.37885144E-08-0.25002987E-12 2 -0.14373711E 05-0.66069458E 02 0.27452002E 01 0.76430142E-01 0.12624764E-04 3 -0.63882226E-07 0.28818781E-10-0.86689141E 04 0.24831818E 02-0.44537129E 04 4 C9H20(L) B01/00C 9H 20 0 0G 298.150 423.430 423.43 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 3.41721095E+01 2.58204426E-04-6.96987194E-07 3 6.20423745E-10 0.00000000E+00-4.33267971E+04-1.47402676E+02-3.31318382E+04 4 N-C9H20 NONANE T 5/99C 9H 20 0 0G 200.000 6000.000 1000. 1 2.55877522E+01 4.60770651E-02-1.60860633E-05 2.58274408E-09-1.54734690E-13 2 -4.00748448E+04-1.04722466E+02 1.39840225E+01-1.17224978E-02 2.52316467E-04 3 -3.25680364E-07 1.29109135E-10-3.28258409E+04-2.38633750E+01-2.75309838E+04 4 C10D8 T 9/82C 10D 8 0 0G 300.000 5000.000 1000. 1 0.24693802E+02 0.25579888E-01-0.93010221E-05 0.14824513E-08-0.85934623E-13 2 0.29915154E+04-0.11214200E+03-0.29223614E+01 0.80820084E-01-0.12762395E-04 3 -0.52788202E-07 0.30022318E-10 0.11687422E+05 0.35703760E+02 0.13205407E+05 4 C10H6 Naphtyne T 7/98C 10H 6 0 0G 200.000 6000.000 1000. 1 1.87728941E+01 2.48768793E-02-9.09940935E-06 1.48730676E-09-8.98228135E-14 2 5.15727443E+04-7.68608875E+01-1.50617131E+00 6.03325879E-02 1.09063952E-05 3 -6.91994009E-08 3.54144371E-11 5.80261788E+04 3.24494940E+01 6.02350349E+04 4 C10H7 Naphtyl rad T 7/98C 10H 7 0 0G 200.000 6000.000 1000. 1 1.83535073E+01 2.77474314E-02-1.00885968E-05 1.64229575E-09-9.89002001E-14 2 3.89261241E+04-7.48978150E+01-1.89559772E+00 5.83077290E-02 2.79388931E-05 3 -9.14375172E-08 4.46422302E-11 4.55409775E+04 3.52453263E+01 4.76546183E+04 4 C6H4(C2H)CH=CH* T 8/98C 10H 7 0 0G 200.000 6000.000 1000. 1 2.00959894E+01 2.63995288E-02-9.54744190E-06 1.54881511E-09-9.30556695E-14 2 6.51277376E+04-8.23946362E+01-2.07613880E+00 7.07561989E-02-2.27951149E-06 3 -6.32032786E-08 3.52065658E-11 7.18269865E+04 3.55334903E+01 7.42244582E+04 4 1-C10H7O* Radical T 7/98C 10H 7O 1 0G 200.000 6000.000 1000. 1 2.10591364E+01 2.82563070E-02-1.03328686E-05 1.68867034E-09-1.01974767E-13 2 4.09143507E+03-8.84963398E+01-1.15176448E+00 6.11354512E-02 3.20151083E-05 3 -9.94285290E-08 4.79990043E-11 1.14058756E+04 3.25584836E+01 1.38887800E+04 4 H8C10 AZULENE T 9/82H 8C 10 0 0G 300.000 5000. 1000. 1 0.19087189E+02 0.28716661E-01-0.98752744E-05 0.14930039E-08-0.81601501E-13 2 0.24276551E+05-0.81975790E+02-0.48537226E+01 0.73454738E-01-0.38748985E-05 3 -0.53900077E-07 0.28514219E-10 0.31977461E+05 0.47005760E+02 0.33667889E+05 4 C10H8 Naphthalene T 7/98C 10H 8 0 0G 200.000 6000.000 1000. 1 1.86129884E+01 3.04494175E-02-1.11224825E-05 1.81615474E-09-1.09601281E-13 2 8.91578988E+03-8.00230396E+01-1.04919475E+00 4.62970781E-02 7.07591636E-05 3 -1.38408111E-07 6.20475407E-11 1.59848987E+04 3.02121626E+01 1.81107678E+04 4 C10H8O Naphtol T 7/98C 10.H 8.O 1. 0.G 200.000 6000.000 1000. 1 2.08930252E+01 3.10560066E-02-1.14407562E-05 1.87872866E-09-1.13823881E-13 2 -1.35886443E+04-8.88597101E+01-2.08768263E+00 7.68099506E-02-1.53593023E-05 3 -4.04657632E-08 2.33759779E-11-6.29056385E+03 3.43331051E+01-3.70367466E+03 4 C10H9 2-hydro Rad T 7/98C 10H 9 0 0G 200.000 6000.000 1000. 1 1.96879334E+01 3.20520257E-02-1.16715110E-05 1.90182471E-09-1.14603906E-13 2 1.80099777E+04-8.29833882E+01-1.21356342E+00 5.48913745E-02 5.55281159E-05 3 -1.24860759E-07 5.75105005E-11 2.52575495E+04 3.28077928E+01 2.76064663E+04 4 1-2-C10H10 T 7/98C 10H 10 0 0G 200.000 6000.000 1000. 1 1.92211178E+01 3.51247274E-02-1.27719042E-05 2.07903232E-09-1.25191968E-13 2 4.39595221E+03-8.19390283E+01-1.92135165E-01 4.50394780E-02 8.64482370E-05 3 -1.56640588E-07 6.88727900E-11 1.16587583E+04 2.82951960E+01 1.40900666E+04 4 C10H13 C5H7-C5H6* S 8/01C 10.H 13. 0. 0.G 298.150 5000.000 1000. 1 1.02070888E+01-2.70757680E-04 2.11426140E-06-3.48818749E-10 1.82240205E-14 2 2.25699502E+04-4.95500000E+01-2.49398622E+00 2.70221902E-02-1.26472303E-05 3 -4.41162084E-09 4.22721779E-12 2.67189502E+04 1.85757346E+01 2.70579601E+04 4 C10H14 CYC5H7-C5H7S 8/01C 10.H 14. 0. 0.G 298.150 5000.000 1000. 1 2.15325793E+01 4.14035837E-02-1.45146602E-05 2.45958560E-09-1.61513614E-13 2 -4.12936399E+02-9.28924876E+01-9.12022862E+00 1.04360219E-01-2.89513972E-05 3 -4.05478829E-08 2.48433320E-11 9.32469775E+03 7.11959534E+01 1.09198016E+04 4 C10H15 JP10 RAD. S 4/01C 10.H 15. 0. 0.G 200.000 6000.000 1000. 1 1.77659083E+01 4.93981255E-02-1.78151191E-05 2.88413387E-09-1.73012768E-13 2 2.12676000E+03-7.93158625E+01 4.06425019E+00-8.85014262E-03 2.70737895E-04 3 -3.58057275E-07 1.44165309E-10 1.01359022E+04 1.35328228E+01 1.27067240E+04 4 C10H15 RADICAL S 4/01C 10.H 15. 0. 0.G 200.000 6000.000 1000. 1 1.71750303E+01 5.00688372E-02-1.80894713E-05 2.93199618E-09-1.76025519E-13 2 1.10344712E+03-7.67084714E+01 4.09401552E+00-1.32979467E-02 2.82520168E-04 3 -3.69512358E-07 1.48106488E-10 9.11922658E+03 1.37914313E+01 1.15845509E+04 4 C10H15 Bicyclo RadS 4/01C 10.H 15. 0. 0.G 200.000 6000.000 1000. 1 1.84393065E+01 4.76714255E-02-1.71362510E-05 2.76798038E-09-1.65779033E-13 2 1.02318584E+04-7.49531448E+01 6.84657726E+00-9.88983515E-03 2.55025973E-04 3 -3.35019934E-07 1.34613901E-10 1.73755191E+04 5.50779160E+00 2.06318833E+04 4 C10H16 JP-10 G03/01C 10H 16 0 0G 200.000 6000.000 1000. 1 1.97364418E+01 5.06281073E-02-1.83273071E-05 2.97418962E-09-1.78703776E-13 2 -2.18215433E+04-9.12581525E+01 1.91602232E+00 8.95649160E-03 2.45266947E-04 3 -3.41856529E-07 1.40549796E-10-1.29680876E+04 2.14768809E+01-1.04410362E+04 4 C10H19 1-deceny T 3/00C 10H 19 0 0G 298.150 5000.000 1000. 1 2.37590285E+01 5.13629059E-02-1.91904058E-05 3.36468639E-09-2.24370651E-13 2 -3.77181269E+03-8.85479830E+01 4.94076996E+00 6.39894278E-02 5.64163880E-05 3 -1.18883384E-07 5.24354590E-11 3.56097203E+03 1.85984224E+01 8.16644637E+03 4 C10H19 1-decenyl T 3/00C 10H 19 0 0G 298.150 5000.000 1000. 1 2.47482587E+01 5.14076858E-02-1.95828774E-05 3.47928330E-09-2.34079322E-13 2 -1.20167044E+04-9.35125879E+01-2.43834540E+01 2.82492767E-01-4.99496066E-04 3 4.71514086E-07-1.70502072E-10-1.41157149E+03 1.41304170E+02 3.12706341E+02 4 C10H20 1-Decene T 3/00C 10H 20 0 0G 298.150 5000.000 1000. 1 2.43784941E+01 5.33879655E-02-1.99613482E-05 3.50081948E-09-2.33453944E-13 2 -2.72997767E+04-9.49537106E+01 3.47605427E+00 7.65120954E-02 2.93696959E-05 3 -8.88008675E-08 4.03372569E-11-1.94418036E+04 2.22701279E+01-1.49016599E+04 4 C10H20 2-decene- T 3/00C 10H 20 0 0G 298.150 5000.000 1000. 1 2.38184351E+01 5.39053060E-02-2.01372708E-05 3.52862934E-09-2.35146707E-13 2 -2.85920995E+04-9.22267124E+01 3.74608499E+00 7.49426004E-02 2.93412818E-05 3 -8.58775012E-08 3.85491667E-11-2.09365775E+04 2.07575646E+01-1.63810014E+04 4 C10H20 3-decene- T 3/00C 10H 20 0 0G 298.150 5000.000 1000. 1 2.39013980E+01 5.38878964E-02-2.01285612E-05 3.52665091E-09-2.34996859E-13 2 -2.85617759E+04-9.25811186E+01 2.73154321E+00 7.88862849E-02 2.51641756E-05 3 -8.52509662E-08 3.92427894E-11-2.06898473E+04 2.57333929E+01-1.62968112E+04 4 N-C10H21 N-P10/83C 10H 21 0 0G 300.000 5000.000 1000. 1 0.21322128E 02 0.61573524E-01-0.23849483E-04 0.42209116E-08-0.27889307E-12 2 -0.17967809E 05-0.75656952E 02 0.29391508E 01 0.84870219E-01 0.14858843E-04 3 -0.72042951E-07 0.32363209E-10-0.11598363E 05 0.25938156E 02-0.69445689E 04 4 C10H21 2-decyl T 3/00C 10H 21 0 0G 298.150 5000.000 1000. 1 2.45312418E+01 5.55320406E-02-2.07239376E-05 3.63129156E-09-2.42045771E-13 2 -1.95025142E+04-9.36436619E+01 6.86951665E+00 5.57425508E-02 8.72153686E-05 3 -1.51902528E-07 6.46180282E-11-1.20143727E+04 9.80863792E+00-6.98778401E+03 4 C10H21 3/4-decyl T 3/00C 10H 21 0 0G 298.150 5000.000 1000. 1 2.44433242E+01 5.56583435E-02-2.07686906E-05 3.63847992E-09-2.42490501E-13 2 -1.94765658E+04-9.31425601E+01 6.86951665E+00 5.57425508E-02 8.72153686E-05 3 -1.51902528E-07 6.46180282E-11-1.20263999E+04 9.80863792E+00-6.99981117E+03 4 C10H22(L) B01/00C 10H 22 0 0G 298.150 446.830 446.83 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 3.77595368E+01 5.43284903E-04-1.44050795E-06 3 1.25634293E-09 0.00000000E+00-4.74783720E+04-1.64025285E+02-3.62064632E+04 4 N-C10H22 DECANE T 5/99C 10H 22 0 0G 200.000 6000.000 1000. 1 2.94782956E+01 4.90518943E-02-1.70317179E-05 2.72919300E-09-1.63370772E-13 2 -4.43022624E+04-1.24062121E+02 1.54328173E+01-1.32979232E-02 2.82480581E-04 3 -3.65923298E-07 1.45372117E-10-3.58632831E+04-2.79454341E+01-3.00118419E+04 4 1-C10H7C*O Radic T 7/98C 11H 7O 1 0G 200.000 6000.000 1000. 1 2.27592940E+01 2.95236092E-02-1.08144575E-05 1.76929286E-09-1.06921871E-13 2 1.06007552E+04-9.54682191E+01 2.47024671E-01 6.23078127E-02 3.25268900E-05 3 -9.98773421E-08 4.79264315E-11 1.80787951E+04 2.74600245E+01 2.10344566E+04 4 1-C10H7CHO T 7/98C 11H 8O 1 0G 200.000 6000.000 1000. 1 2.42593357E+01 3.16036997E-02-1.18467358E-05 1.96728679E-09-1.20096869E-13 2 -7.83388781E+03-1.07718994E+02-3.75140208E-01 6.11007395E-02 4.92528177E-05 3 -1.17296000E-07 5.31810720E-11 8.41138142E+02 2.88322573E+01 3.67348166E+03 4 1-C10H7-CH2* T 7/98C 11H 9 0 0G 200.000 6000.000 1000. 1 2.18977539E+01 3.26102636E-02-1.18401218E-05 1.92574628E-09-1.15903442E-13 2 2.24571098E+04-9.41050741E+01-2.53234304E+00 7.32920338E-02 2.02974707E-05 3 -9.36547823E-08 4.70753594E-11 3.02906705E+04 3.79638513E+01 3.28097266E+04 4 1-C10H7-CH3 T 7/98C 11H 10 0 0G 200.000 6000.000 1000. 1 2.17939213E+01 3.60214098E-02-1.33228698E-05 2.19304403E-09-1.33071380E-13 2 3.16261439E+03-9.48675403E+01-1.03043715E+00 6.03358177E-02 5.45655719E-05 3 -1.22769251E-07 5.54507327E-11 1.13241014E+04 3.22970611E+01 1.39642625E+04 4 N-UNDECANE T 5/99C 11H 24 0 0G 200.000 6000.000 1000. 1 3.41070654E+01 5.07865991E-02-1.73797396E-05 2.76048145E-09-1.64248726E-13 2 -4.88486250E+04-1.47546600E+02 1.67589055E+01-1.35771822E-02 3.08216871E-04 3 -4.00562662E-07 1.59274225E-10-3.89076869E+04-3.15628516E+01-3.25077966E+04 4 O-C12D9 O-L12/84C 12D 9 0 0G 300.000 5000.000 1000. 1 0.30123199E 02 0.28328255E-01-0.10366540E-04 0.16593338E-08-0.96527116E-13 2 0.33207789E 05-0.13520447E 03-0.73299396E 00 0.89836895E-01-0.13731275E-04 3 -0.59427020E-07 0.33702430E-10 0.42943094E 05 0.30028793E 02 0.46486410E 05 4 C12D10 L12/84C 12D 10 0 0G 300.000 5000.000 1000. 1 0.30905060E 02 0.30349988E-01-0.11095048E-04 0.17755810E-08-0.10332327E-12 2 0.28834453E 04-0.14245210E 03-0.15793486E 01 0.95059574E-01-0.14532071E-04 3 -0.62645597E-07 0.35530079E-10 0.13137422E 05 0.31516678E 02 0.16647502E 05 4 C12H4Cl4O 2367 T 7/02C 12.H 4.O 1.CL 4.G 200.000 6000.000 1000. 1 3.37203056E+01 2.59531836E-02-9.73623386E-06 1.61792141E-09-9.88243946E-14 2 -1.99774739E+04-1.46328547E+02 8.35008122E-01 1.05239112E-01-5.23532685E-05 3 -2.50611331E-08 2.27966335E-11-1.04387906E+04 2.60267825E+01-6.01358348E+03 4 C12H4Cl4O 2468 T 7/02C 12.H 4.O 1.CL 4.G 200.000 6000.000 1000. 1 3.37653037E+01 2.59089918E-02-9.71934006E-06 1.61507981E-09-9.86493891E-14 2 -2.09499311E+04-1.46904227E+02 1.21277591E+00 1.03027906E-01-4.71999359E-05 3 -3.02796418E-08 2.47102816E-11-1.14514343E+04 2.40113931E+01-6.97575684E+03 4 C12H4O2Cl4 2378 T 8/03C 12.H 4.O 2.CL 4.G 200.000 6000.000 1000. 1 3.55551539E+01 2.68113836E-02-1.00051732E-05 1.65726833E-09-1.01016088E-13 2 -3.09230657E+04-1.55001248E+02 8.42161972E-01 1.18543424E-01-8.34715750E-05 3 7.54873814E-09 1.04548677E-11-2.11713374E+04 2.51859725E+01-1.63689742E+04 4 C12H4Cl4O2 1368 T 8/03C 12.H 4.O 2.CL 4.G 200.000 6000.000 1000. 1 3.55414842E+01 2.68126078E-02-1.00031234E-05 1.65667276E-09-1.00969542E-13 2 -3.00259258E+04-1.53915980E+02 1.27697078E+00 1.15874285E-01-7.75840253E-05 3 1.89840979E-09 1.24410316E-11-2.03341181E+04 2.42875879E+01-1.54789639E+04 4 C12H4Cl4O3 1368 T 7/02C 12.H 4.O 3.CL 4.G 200.000 6000.000 1000. 1 3.65131711E+01 2.81939174E-02-1.05065989E-05 1.73890011E-09-1.05936213E-13 2 -5.03536098E+04-1.58210338E+02 1.91091018E+00 1.26862273E-01-1.12283816E-04 3 4.42202105E-08-4.87612341E-12-4.08260774E+04 2.00659755E+01-3.55246431E+04 4 C12H4Cl5O2 Rad. T 7/02C 12.H 4.O 2.CL 5.G 200.000 6000.000 1000. 1 3.75648982E+01 2.59919632E-02-9.72467483E-06 1.61312689E-09-9.84098487E-14 2 -3.03064243E+04-1.54117133E+02 4.22121227E+00 1.20295993E-01-1.01743807E-04 3 3.21160499E-08 4.57455537E-13-2.11786130E+04 1.76118180E+01-1.54084943E+04 4 C12H4Cl6O2 T 7/02C 12.H 4.O 2.CL 6.G 200.000 6000.000 1000. 1 4.01072662E+01 2.64099729E-02-9.87725138E-06 1.63801070E-09-9.99097640E-14 2 -3.33135529E+04-1.66495471E+02 4.08550482E+00 1.35862415E-01-1.33900143E-04 3 6.18063889E-08-9.67607715E-12-2.38039098E+04 1.72309606E+01-1.76125833E+04 4 C12H4CL6O2 BIFENYLT 7/02C 12.H 4.CL 6.O 2.G 200.000 6000.000 1000. 1 4.05461312E+01 2.56337627E-02-9.51429616E-06 1.57080093E-09-9.55422998E-14 2 -5.44633251E+04-1.75242091E+02 1.01096879E+00 1.60030359E-01-1.94327598E-04 3 1.24220560E-07-3.27934340E-11-4.46448886E+04 2.31584095E+01-3.87174903E+04 4 C12H5OCl3O3 T 7/02C 12.H 5.O 3.CL 3.G 200.000 6000.000 1000. 1 3.39369877E+01 3.03479314E-02-1.12471012E-05 1.85475240E-09-1.12714824E-13 2 -5.61302876E+04-1.47572708E+02 1.31429187E+00 1.16707532E-01-8.54167896E-05 3 1.75329916E-08 4.64182974E-12-4.68346313E+04 2.20874195E+01-4.19733021E+04 4 C12H5CL4O2 RAD T 7/02C 12.H 5.O 2.CL 4.G 200.000 6000.000 1000. 1 3.52447272E+01 2.79218605E-02-1.03851978E-05 1.71610191E-09-1.04418334E-13 2 -2.45877120E+04-1.44677645E+02 3.38993539E+00 1.11904345E-01-7.74499372E-05 3 6.65933244E-09 9.88939812E-12-1.56038201E+04 2.07711496E+01-1.02857486E+04 4 C12H5CL4O3 Rad T 7/02C 12.H 5.O 3.CL 4.G 200.000 6000.000 1000. 1 3.78627024E+01 2.95127522E-02-1.09455092E-05 1.80598949E-09-1.09795646E-13 2 -6.73987047E+04-1.64422619E+02 1.68663349E+00 1.30749832E-01-1.08062036E-04 3 3.28510707E-08 9.00638451E-13-5.74323575E+04 2.21930259E+01-5.20074424E+04 4 C12H5O3CL4 DOH2 T 7/02C 12.H 5.O 3.CL 4.G 200.000 6000.000 1000. 1 3.77083528E+01 2.97513020E-02-1.10549800E-05 1.82623859E-09-1.11115340E-13 2 -5.41069240E+04-1.63825524E+02 2.53394872E+00 1.22701309E-01-8.73952730E-05 3 1.16842390E-08 8.59557448E-12-4.41665971E+04 1.89081184E+01-3.87023938E+04 4 C12H5O2Cl5 T 7/02C 12.H 5.O 2.CL 5.G 200.000 6000.000 1000. 1 3.78525022E+01 2.75151028E-02-1.01717210E-05 1.67476906E-09-1.01670506E-13 2 -4.51095646E+04-1.58966651E+02 2.58418823E+00 1.34823485E-01-1.32609390E-04 3 6.23672196E-08-1.03965199E-11-3.57970280E+04 2.09115787E+01-3.00873244E+04 4 C12H6CL2O T03/04C 12.H 6.CL 2.O 1.G 200.000 6000.000 1000. 1 2.81578763E+01 3.03232866E-02-1.11703384E-05 1.83469653E-09-1.11185273E-13 2 -1.18306517E+04-1.22613443E+02-2.21247366E-01 8.28615357E-02 5.27378281E-06 3 -8.18593533E-08 4.29796179E-11-2.89667449E+03 2.97876049E+01 6.25412682E+02 4 C12H6CL2O2 T02/04C 12.H 6.CL 2.O 2.G 200.000 6000.000 1000. 1 3.05265612E+01 3.09553854E-02-1.14148452E-05 1.87613213E-09-1.13750031E-13 2 -2.40176018E+04-1.33835136E+02-4.61821759E-01 9.62418938E-02-2.03839914E-05 3 -5.84410503E-08 3.48744532E-11-1.46011026E+04 3.07817718E+01-1.07402601E+04 4 C12H6CL4O2 T 7/02C 12.H 6.O 2.CL 4.G 200.000 6000.000 1000. 1 3.56559433E+01 2.93270279E-02-1.07879184E-05 1.77037207E-09-1.07228492E-13 2 -3.94205538E+04-1.49929054E+02 2.02056763E+00 1.25248291E-01-1.05426156E-04 3 3.37523170E-08 2.63176879E-13-3.02692977E+04 2.30604963E+01-2.49645788E+04 4 1-C10H7-CC* Radi T 7/98C 12H 7 0 0G 200.000 6000.000 1000. 1 2.28546479E+01 2.94181299E-02-1.07719402E-05 1.76194604E-09-1.06462481E-13 2 7.31301345E+04-9.62295750E+01-1.91438001E-01 6.57353329E-02 2.42664513E-05 3 -9.15358223E-08 4.48817973E-11 8.06649452E+04 2.89829391E+01 8.35842882E+04 4 C12H8 ACENAPHTH T12/00C 12.H 8. 0. 0.G 200.000 5000.000 1000. 1 1.93183637E+01 3.90205238E-02-1.63352587E-05 3.10041991E-09-2.19199281E-13 2 2.15445149E+04-8.32372261E+01-2.81264181E+00 7.04681002E-02 3.15341955E-05 3 -1.05176189E-07 5.08713845E-11 2.88462829E+04 3.75755975E+01 3.12345526E+04 4 C10H7-CCH T 7/98C 12H 8 0 0G 200.000 6000.000 1000. 1 2.34108373E+01 3.12979308E-02-1.13777419E-05 1.85217551E-09-1.11546889E-13 2 3.49196941E+04-1.00594596E+02-2.59169367E+00 8.63306190E-02-1.76590976E-05 3 -5.26006488E-08 3.15924760E-11 4.27720678E+04 3.73574503E+01 4.55914299E+04 4 C12H8O T 7/02C 12.H 8.O 1. 0.G 200.000 6000.000 1000. 1 2.38928699E+01 3.42239370E-02-1.25916314E-05 2.06592304E-09-1.25089220E-13 2 -4.81449779E+03-1.07327684E+02-1.94754604E+00 6.63215475E-02 5.55418713E-05 3 -1.35401425E-07 6.29515620E-11 4.01745217E+03 3.50605098E+01 6.63742782E+03 4 C12H8O2 T 8/03C 12.H 8.O 2. 0.G 200.000 6000.000 1000. 1 2.60370044E+01 3.50780491E-02-1.29210307E-05 2.12161308E-09-1.28529989E-13 2 -1.82365905E+04-1.17407370E+02-1.48214627E+00 7.51205359E-02 3.87198163E-05 3 -1.19145352E-07 5.69742514E-11-9.05611402E+03 3.29719044E+01-6.02561065E+03 4 1-C10H7-CH=CH* T 7/98C 12H 9 0 0G 200.000 6000.000 1000. 1 2.44441957E+01 3.26961470E-02-1.18995546E-05 1.93488254E-09-1.16386321E-13 2 4.52471489E+04-1.05926333E+02-1.42935703E+00 7.39465043E-02 2.97653847E-05 3 -1.09318395E-07 5.40951470E-11 5.35782225E+04 3.42505526E+01 5.65112316E+04 4 1-C10H7-C*=CH2 T 7/98C 12H 9 0 0G 200.000 6000.000 1000. 1 2.45125261E+01 3.26372895E-02-1.18731749E-05 1.93107796E-09-1.16216496E-13 2 3.83327553E+04-1.05844161E+02-1.43370275E+00 7.71544298E-02 1.83225763E-05 3 -9.54787152E-08 4.85269141E-11 4.65789858E+04 3.40801712E+01 4.95769059E+04 4 O-BIPHENYL RAD O-L12/84C 12H 9 0 0G 300.000 5000.000 1000. 1 0.23851303E 02 0.31960227E-01-0.11076719E-04 0.16847825E-08-0.92641173E-13 2 0.40171297E 05-0.10270549E 03-0.31376228E 01 0.82217276E-01-0.40171444E-05 3 -0.60809782E-07 0.32074482E-10 0.48868754E 05 0.42730362E 02 0.51444448E 05 4 C12H9CL T 2/92C 12H 9CL 1 0G 298.150 5000.000 1000. 1 0.25609923E+02 0.35292178E-01-0.13556100E-04 0.23746797E-08-0.15591758E-12 2 0.58630132E+04-0.11039461E+03-0.72831130E+01 0.11977430E+00-0.82814312E-04 3 0.15585591E-07 0.42704031E-11 0.15413066E+05 0.61459201E+02 0.17866357E+05 4 C12H9N CARBAZOLE T 5/99C 12H 9N 1 0G 200.000 6000.000 1000. 1 2.55905657E+01 3.50572236E-02-1.28150596E-05 2.09379140E-09-1.26416159E-13 2 1.21368335E+04-1.15714967E+02-2.39694034E+00 7.70529957E-02 3.99731799E-05 3 -1.26020660E-07 6.11915294E-11 2.12953973E+04 3.66013145E+01 2.41385241E+04 4 1-C10H7CH=CH2 T11/98C 12H 10 0 0G 200.000 6000.000 1000. 1 2.36421335E+01 3.60544766E-02-1.31138294E-05 2.13119639E-09-1.28115416E-13 2 1.46625473E+04-1.02784235E+02-1.19668570E+00 7.06115758E-02 4.27863652E-05 3 -1.21989834E-07 5.83744402E-11 2.29191651E+04 3.30370914E+01 2.58653366E+04 4 C12H10 BIPHENYL L12/84C 12H 10 0 0G 300.000 5000.000 1000. 1 0.24289017E 02 0.34006648E-01-0.11722408E-04 0.17729298E-08-0.96812532E-13 2 0.10287000E 05-0.10802374E 03-0.40739527E 01 0.86973310E-01-0.42353613E-05 3 -0.64564460E-07 0.34150169E-10 0.19405965E 05 0.44741348E 02 0.21905340E 05 4 C10H7-CH2CH2* T 7/98C 12H 11 0 0G 200.000 6000.000 1000. 1 2.47911542E+01 3.71007852E-02-1.34341683E-05 2.17751785E-09-1.30703605E-13 2 2.36520512E+04-1.07491651E+02-1.76566815E+00 8.31852329E-02 1.56729046E-05 3 -9.56306134E-08 4.90427294E-11 3.20816383E+04 3.56277471E+01 3.52251666E+04 4 1-C10H7-CH*-CH3 T11/98C 12H 11 0 0G 200.000 6000.000 1000. 1 2.45873044E+01 3.73929821E-02-1.36001742E-05 2.21047875E-09-1.32883841E-13 2 1.49850894E+04-1.05426141E+02-1.14973681E+00 7.78725206E-02 2.87023997E-05 3 -1.08719393E-07 5.37519164E-11 2.33370112E+04 3.42336399E+01 2.65195183E+04 4 1-C10H7-C2H5 T 7/98C 12H 12 0 0G 200.000 6000.000 1000. 1 2.53697727E+01 4.04594180E-02-1.49784208E-05 2.46402471E-09-1.49382751E-13 2 -8.20299732E+02-1.14459910E+02 1.98405802E-02 6.20844325E-02 7.79624479E-05 3 -1.55438421E-07 6.85371120E-11 8.47514808E+03 2.80182938E+01 1.16544980E+04 4 1-C10H7CH2CH2OH T11/98C 12H 12O 1 0G 200.000 6000.000 1000. 1 2.58268752E+01 4.06457048E-02-1.47684231E-05 2.39996250E-09-1.44280394E-13 2 -1.85903264E+04-1.11344593E+02 1.48378862E-01 7.18508197E-02 5.76461168E-05 3 -1.42124444E-07 6.64389673E-11-9.83811550E+03 3.01527814E+01-6.34052999E+03 4 N-DODECANE T 5/99C 12H 26 0 0G 200.000 6000.000 1000. 1 3.70187925E+01 5.54721488E-02-1.92079548E-05 3.08175574E-09-1.84800617E-13 2 -5.26984458E+04-1.61453501E+02 2.13264480E+01-3.86394002E-02 3.99476113E-04 3 -5.06681097E-07 2.00697878E-10-4.22475053E+04-4.85848300E+01-3.49836226E+04 4 C13H9N ACRIDINE T 5/99C 13H 9N 1 0G 200.000 6000.000 1000. 1 2.58635113E+01 3.78898227E-02-1.39284598E-05 2.28395317E-09-1.38235768E-13 2 2.04600506E+04-1.17880104E+02-8.48162121E-01 6.17087256E-02 8.87124926E-05 3 -1.77383638E-07 7.97811734E-11 2.99816376E+04 3.14075642E+01 3.29424103E+04 4 C13H9N PHENANTHRI T 5/99C 13H 9N 1 0G 200.000 6000.000 1000. 1 2.65281408E+01 3.72382530E-02-1.36796636E-05 2.24215437E-09-1.35664146E-13 2 1.63827924E+04-1.21651719E+02-3.42969371E+00 8.74937697E-02 2.13315768E-05 3 -1.06800353E-07 5.35979203E-11 2.60563650E+04 4.04426399E+01 2.89253366E+04 4 C14H10 ANTHRACENE T 1/94C 14H 10 0 0G 200.000 6000.000 1000. 1 0.26567127E+02 0.39790904E-01-0.14577610E-04 0.23850396E-08-0.14413090E-12 2 0.14850923E+05-0.12283160E+03-0.15665980E+01 0.69536302E-01 0.78609880E-04 3 -0.17056214E-06 0.78003880E-10 0.24656643E+05 0.33282196E+02 0.27674511E+05 4 C14H10 PHENANTHRE T 1/94C 14H 10 0 0G 200.000 6000.000 1000. 1 0.26602474E+02 0.39769744E-01-0.14572026E-04 0.23843296E-08-0.14409548E-12 2 0.12132838E+05-0.12266672E+03-0.33646717E+01 0.85073271E-01 0.37531110E-04 3 -0.12664499E-06 0.61445705E-10 0.22019878E+05 0.40596218E+02 0.24908263E+05 4 C14H14 Bibenzyl T 5/04C 14.H 14. 0. 0.G 200.000 6000.000 1000. 1 2.65979897E+01 4.68689340E-02-1.69056103E-05 2.73737090E-09-1.64235887E-13 2 3.18810786E+03-1.14827874E+02 1.30521842E+00 5.76220698E-02 1.22418244E-04 3 -2.18120750E-07 9.59096665E-11 1.26627763E+04 2.90742354E+01 1.63088384E+04 4 C16H10 PYRENE T10/96C 16H 10 0 0G 200.000 6000.000 1000. 1 0.29910014E+02 0.42668069E-01-0.15733834E-04 0.25851725E-08-0.15667980E-12 2 0.12786491E+05-0.14186953E+03-0.40420321E+01 0.91549657E-01 0.51443344E-04 3 -0.15276576E-06 0.73087530E-10 0.24094241E+05 0.43665312E+02 0.27145316E+05 4 C16H33 Hexadecyl S05/01C 16.H 33. 0. 0.G 298.150 5000.000 1000. 1 3.98439293E+01 8.75342823E-02-3.29289436E-05 5.80687633E-09-3.88795213E-13 2 -4.21912004E+04-1.63931267E+02 6.75173475E+00 1.22107685E-01 4.28435207E-05 3 -1.27980217E-07 5.58389417E-11-2.94419695E+04 2.27406424E+01-2.18496676E+04 4 C16H34 Hexadecan S 5/01C 16.H 34. 0. 0.G 298.150 5000.000 1000. 1 3.93197519E+01 9.11470601E-02-3.39721140E-05 5.94437262E-09-3.95796331E-13 2 -6.51665791E+04-1.66160224E+02-2.28147400E+00 1.85127971E-01-9.91782207E-05 3 1.43398377E-08 3.73230542E-12-5.17449265E+04 5.60024917E+01-4.50429238E+04 4 C18H12 T 2/00C 18H 12 0 0G 200.000 5000.000 1000. 1 2.95586152E+01 5.85686068E-02-2.41993527E-05 4.54440129E-09-3.18688238E-13 2 2.00626643E+04-1.40019146E+02-3.28166681E+00 9.79369796E-02 7.11673376E-05 3 -1.83222246E-07 8.55531781E-11 3.11971518E+04 4.09026837E+01 3.48787842E+04 4 C22H14 PENTACENE T 2/00C 22H 14 0 0G 200.000 5000.000 1000. 1 3.58785167E+01 7.04948125E-02-2.91706302E-05 5.48297466E-09-3.84747182E-13 2 2.47407667E+04-1.74816699E+02-3.96027507E+00 1.17841522E-01 8.87303666E-05 3 -2.25804141E-07 1.05493453E-10 3.82520100E+04 4.47088716E+01 4.26964427E+04 4 C22H14 Pentafene T 2/00C 22H 14 0 0G 200.000 5000.000 1000. 1 3.61985500E+01 7.00125090E-02-2.89502373E-05 5.43945174E-09-3.81596217E-13 2 2.34318128E+04-1.75725046E+02-3.89059592E+00 1.18588915E-01 8.58495971E-05 3 -2.22381690E-07 1.04152452E-10 3.70146204E+04 4.50315090E+01 4.14937260E+04 4 C24CL12 Coronene T 8/03C 24.CL12. 0. 0.G 200.000 6000.000 1000. 1 6.74675357E+01 3.85329684E-02-1.48783315E-05 2.51718498E-09-1.55594104E-13 2 -8.86606352E+03-3.09600748E+02 5.48199169E+00 2.30027667E-01-2.53822473E-04 3 1.50444717E-07-3.86481388E-11 7.73680444E+03 6.87155182E+00 1.76318268E+04 4 C24H12 Coronene T 8/03C 24.H 12. 0. 0.G 200.000 6000.000 1000. 1 3.66362791E+01 6.40568636E-02-2.35898765E-05 3.87302887E-09-2.34622400E-13 2 1.83581667E+04-1.83103895E+02-3.43656045E+00 1.04563338E-01 9.86369010E-05 3 -2.14123810E-07 9.51018040E-11 3.28674342E+04 4.09211169E+01 3.69835384E+04 4 C24H17 T 5/94C 24H 17 0 0G 298.150 5000.000 1000. 1 0.49910305E+02 0.60606660E-01-0.21521091E-04 0.37044273E-08-0.24654232E-12 2 0.51609915E+05-0.23666063E+03-0.16409043E+02 0.22672428E+00-0.14001458E-03 3 -0.27875115E-08 0.24713123E-10 0.70999336E+05 0.11051039E+03 0.74953305E+05 4 C24H18 T 2/92C 24H 18 0 0G 298.150 5000.000 1000. 1 0.51756648E+02 0.59862451E-01-0.20502137E-04 0.34944485E-08-0.23287566E-12 2 0.20652114E+05-0.25140500E+03-0.14447245E+02 0.21329283E+00-0.99995340E-04 3 -0.44814755E-07 0.40108023E-10 0.40647672E+05 0.98249347E+02 0.44867346E+05 4 C60 T 6/93C 60 0 0 0G 200.000 6000.000 1000. 1 0.99843418E+02 0.78857558E-01-0.30608799E-04 0.51957690E-08-0.32188408E-12 2 0.26670488E+06-0.54587488E+03-0.33579084E+02 0.42844440E+00-0.31712321E-03 3 0.47546257E-07 0.27677699E-10 0.30465122E+06 0.14832875E+03 0.31098790E+06 4 C70 FOOTBALLENE T 1/03C 70. 0. 0. 0.G 200.000 6000.000 1000. 1 1.06784110E+02 1.01992428E-01-3.95570988E-05 6.71117279E-09-4.15612722E-13 2 2.68424440E+05-5.99463001E+02-3.13676633E+01 3.34847646E-01 9.85963980E-05 3 -4.46661917E-07 2.20100536E-10 3.13337482E+05 1.48919002E+02 3.18960468E+05 4 JET-A(L) C12H23 L 6/88C 12H 23 0 0L 220.000 550.000 550. 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.19049613E 02-0.16918532E-01 0.63022035E-03 3 -0.13336577E-05 0.94335638E-09-0.44803964E 05-0.67690200E 02-0.36498744E 05 4 JET-A(G) C12H23 L 6/88C 12H 23 0 0G 273.150 5000.000 1000. 1 0.24880201E 02 0.78250048E-01-0.31550973E-04 0.57878900E-08-0.39827968E-12 2 -0.38508837E 05-0.95568240E 02 0.20869217E 01 0.13314965E 00-0.81157452E-04 3 0.29409286E-07-0.65195213E-11-0.31310966E 05 0.25442305E 02-0.25432647E 05 4 Ca(a) REF ELEMENT L /93CA 1. 0. 0. 0.C 298.150 716.000 716. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 3.03325649E+00-1.41800064E-03 7.24487574E-06 3 -6.68790594E-09 2.49903889E-12-8.93310508E+02-1.20114288E+01 0.00000000E+00 4 Ca(b) L /93CA 1. 0. 0. 0.C 716.000 1115.000 1000. 1 5.70111768E+00-5.81056490E-03 4.02212518E-06 0.00000000E+00 0.00000000E+00 2 -1.51676361E+03-2.60758134E+01 5.70111768E+00-5.81056490E-03 4.02212518E-06 3 0.00000000E+00 0.00000000E+00-1.51676361E+03-2.60758134E+01 0.00000000E+00 4 Ca(L) L /93CA 1. 0. 0. 0.L 1115.000 6000.000 1 4.57032345E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -9.82243308E+02-2.11988643E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 Ca L 3/93CA 1. 0. 0. 0.G 200.000 6000.000 1000. 1 1.92707623E+00 1.34909167E-03-1.07515862E-06 3.25457865E-10-2.64671538E-14 2 2.08196210E+04 7.42878398E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.06389279E+04 4.38454833E+00 2.13843029E+04 4 Ca+ J 9/83CA 1.E -1. 0. 0.G 298.150 6000.000 1000. 1 2.64221438E+00-1.60517359E-04-2.70843966E-08 5.13522496E-11-5.96487048E-15 2 9.22596379E+04 4.25372628E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 9.23242106E+04 5.07767503E+00 9.30695856E+04 4 CL J 6/82CL 1 0 0 0G 200.000 6000.000 1000. 1 2.94658358E+00-3.85985408E-04 1.36139388E-07-2.17032923E-11 1.28751025E-15 2 1.36970327E+04 3.11330136E+00 2.26062480E+00 1.54154399E-03-6.80283622E-07 3 -1.59972975E-09 1.15416636E-12 1.38552986E+04 6.57020799E+00 1.45891941E+04 4 DCL J 6/77D 1CL 1 0 0G 300.000 5000.000 1000. 1 2.95720340E+00 1.59181600E-03-6.33202720E-07 1.17556580E-10-8.15999110E-15 2 -1.21735150E+04 5.89879666E+00 3.82692130E+00-2.50133260E-03 6.04661240E-06 3 -4.48375190E-09 1.13676410E-12-1.23019210E+04 1.89177776E+00-1.12270035E+04 4 DOCL g 1/01D 1.O 1.CL 1. 0.G 200.000 6000.000 1000. 1 4.65210175E+00 2.11641809E-03-7.66161729E-07 1.24270803E-10-7.46211103E-15 2 -1.11559090E+04 1.53475660E+00 3.07840297E+00 6.37793362E-03-3.60099079E-06 3 -1.14129825E-09 1.40511926E-12-1.07341490E+04 9.63009270E+00-9.56625057E+03 4 CLF J 6/77CL 1F 1 0 0G 300.000 5000.000 1000. 1 2.84862330E+00 3.17332790E-03-2.05233870E-06 5.21627330E-10-3.74722620E-14 2 -6.92788240E+03 9.31699651E+00 2.64455690E+00 6.24812560E-03-9.03543510E-06 3 6.34005750E-09-1.74353720E-12-7.04691060E+03 9.63042791E+00-6.04884780E+03 4 CLF3 J 9/65CL 1F 3 0 0G 300.000 5000.000 1000. 1 8.95359670E+00 1.17221630E-03-5.08961880E-07 9.75634890E-11-6.88587310E-15 2 -2.20759680E+04-1.80815549E+01 2.89491190E+00 2.47185500E-02-3.51393230E-05 3 2.25595910E-08-5.32619780E-12-2.07986400E+04 1.13816921E+01-1.91052460E+04 4 CLO J 6/61CL 1O 1 0 0G 300.000 5000.000 1000. 1 4.09126190E+00 5.00031260E-04-1.87782060E-07 3.50976710E-11-2.42050380E-15 2 1.08532230E+04 3.61889244E+00 2.81793640E+00 4.45313330E-03-4.41248930E-06 3 1.59209420E-09-1.44862420E-14 1.11713970E+04 1.00579823E+01 1.21736480E+04 4 CLO2 (OClO) J 3/61CL 1O 2 0 0G 300.000 5000.000 1000. 1 5.72497580E+00 1.46452300E-03-5.99843510E-07 1.13887500E-10-7.97947760E-15 2 1.06062640E+04-2.57902748E+00 2.88781660E+00 9.28760080E-03-7.08240400E-06 3 6.34533760E-10 9.68016050E-13 1.13673770E+04 1.20200293E+01 1.25803228E+04 4 CLOO L 4/84CL 1O 2 0 0G 300.000 5000.000 1000. 1 0.60288639E 01 0.10057015E-02-0.40009184E-06 0.69837636E-10-0.44704535E-14 2 0.95408711E 04-0.32185535E 01 0.34938974E 01 0.71383193E-02-0.28676532E-05 3 -0.37120573E-08 0.26473615E-11 0.10247160E 05 0.99912157E 01 0.11574121E 05 4 CLO3F L 5/95CL 1O 3F 1 0G 200.000 6000.000 1000. 1 9.84020286E+00 3.25550966E-03-1.28321227E-06 2.19710639E-10-1.36348643E-14 2 -6.48553280E+03-2.47267180E+01 6.05661163E-01 3.52831180E-02-4.51135948E-05 3 2.82788050E-08-7.03541332E-12-4.26508565E+03 2.13532322E+01-2.86229640E+03 4 CL2 REF ELEMENT G 8/02CL 2. 0. 0. 0.G 200.000 6000.000 1000. 1 4.74727507E+00-4.88581697E-04 2.68444865E-07-2.43476072E-11-1.03683156E-15 2 -1.51101862E+03-3.44538559E-01 2.73638114E+00 7.83525699E-03-1.45104963E-05 3 1.25730834E-08-4.13247143E-12-1.05880114E+03 9.44557148E+00 0.00000000E+00 4 CL2O J12/65CL 2O 1 0 0G 300.000 5000.000 1000. 1 6.43400620E+00 6.27288090E-04-2.69332520E-07 5.10763940E-11-3.56915450E-15 2 8.48605300E+03-4.93672407E+00 3.25452380E+00 1.27994490E-02-1.78824600E-05 3 1.12643830E-08-2.59642520E-12 9.16574230E+03 1.05712106E+01 1.05680184E+04 4 CL2O2 T 2/94CL 2O 2 0 0G 200.000 6000.000 1000. 1 0.97241408E+01 0.29991597E-03-0.22394766E-06 0.48423798E-10-0.34559904E-14 2 0.13444436E+05-0.20745767E+02 0.18634070E+01 0.33285997E-01-0.57276349E-04 3 0.46928825E-07-0.14956803E-10 0.15100165E+05 0.17205914E+02 0.16714845E+05 4 Cr(cr)REF ELEMENT J 6/73CR 1 0 0 0S 200.000 311.500 311.5 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 7.84826024E+00-1.16276020E-01 8.12369251E-04 3 -2.30807086E-06 2.35328142E-09-8.98013946E+02-2.75733139E+01 0.00000000E+00 4 Cr(cr) J 6/73CR 1 0 0 0S 311.500 2130.000 1000. 1 4.59782637E+00-4.81791132E-03 5.84129754E-06-2.07036847E-09 2.82102268E-13 2 -1.31489668E+03-2.24454748E+01 1.82863471E+00 4.19562267E-03-2.82735082E-06 3 -9.15990578E-10 1.55203040E-12-7.05502663E+02-8.69806103E+00 0.00000000E+00 4 Cr(L) J 6/73CR 1 0 0 0L 2130.000 2952.000 1 4.73028477E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 5.75359221E+02-2.45318309E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 Cr J 6/79CR 1 0 0 0G 200.000 6000.000 1000. 1 3.08497752E+00-1.44703683E-03 1.08492194E-06-2.35643635E-10 1.86355816E-14 2 4.68928202E+04 3.65913914E+00 2.50259371E+00-2.76560170E-05 1.03974095E-07 3 -1.61996406E-10 8.89391985E-14 4.70600237E+04 6.71107210E+00 4.78055833E+04 4 CrCl A11/04CR 1.CL 1. 0. 0.G 298.150 3000.000 1000. 1 3.79103889E+00 1.57356548E-03-1.30343311E-06 4.48647981E-10-4.78012226E-14 2 1.44632306E+04 8.08526764E+00 2.83722437E+00 8.08793500E-03-1.59515226E-05 3 1.42928143E-08-4.80443309E-12 1.45328417E+04 1.20580960E+01 1.56232899E+04 4 CrO2Cl2 A12/04CR 1.CL 2.O 2. 0.G 298.150 5000.000 1000. 1 1.21316101E+01 3.37565144E-04 1.18813367E-07-4.97213791E-11 4.50941256E-15 2 -6.64688829E+04-3.05150563E+01 3.71590088E+00 3.55707786E-02-6.10226580E-05 3 5.06112478E-08-1.63324927E-11-6.46871319E+04 1.01533862E+01-6.24450509E+04 4 CrCl6 A12/04CR 1.CL 6. 0. 0.G 298.150 5000.000 1000. 1 1.83289973E+01 7.77466644E-04-3.48058994E-07 6.85592495E-11-4.95622794E-15 2 -4.72003352E+04-5.51750147E+01 1.11743747E+01 3.57825048E-02-6.69030889E-05 3 5.72907814E-08-1.85225640E-11-4.59652557E+04-2.19248279E+01-4.15298075E+04 4 CrN(s) J12/73CR 1N 1 0 0S 300.000 2500.000 1000. 1 5.69445390E+00 5.30116900E-04 2.27058290E-07-8.14832540E-11 1.08037960E-14 2 -1.58360020E+04-2.81317040E+01 9.71529040E+00-2.37753720E-02 5.25610150E-05 3 -4.83907470E-08 1.62707570E-11-1.63234220E+04-4.57300500E+01-1.41071233E+04 4 CrN J12/73CR 1N 1 0 0G 300.000 5000.000 1000. 1 3.86496020E+00 8.51604560E-04-4.40707580E-07 1.06676010E-10-8.37314220E-15 2 5.94774370E+04 5.29506757E+00 2.93046360E+00 3.03770420E-03-1.27139640E-06 3 -1.17812490E-09 8.55513490E-13 5.97442030E+04 1.01918812E+01 6.07397802E+04 4 CrO J12/73CR 1O 1 0 0G 300.000 5000.000 1000. 1 4.01398180E+00 6.27002450E-04-2.79567940E-07 6.00031000E-11-4.40579160E-15 2 2.13466930E+04 5.55171510E+00 2.84149960E+00 4.09533580E-03-3.57764630E-06 3 8.17104390E-10 2.40720090E-13 2.16460670E+04 1.15179922E+01 2.26454051E+04 4 CrO2 J12/73CR 1O 2 0 0G 300.000 5000.000 1000. 1 5.84999980E+00 1.27251010E-03-5.49205480E-07 1.04974910E-10-7.39954860E-15 2 -1.10421830E+04-1.74497632E+00 3.30126450E+00 8.16258570E-03-5.89076800E-06 3 1.61708560E-11 1.08162670E-12-1.03535690E+04 1.13991138E+01-9.05799743E+03 4 CrO3 T 2/03CR 1.O 3. 0. 0.G 200.000 5000.000 1000. 1 8.28386164E+00 1.94981497E-03-8.59416757E-07 1.65569104E-10-1.14362256E-14 2 -4.15903861E+04-1.60755404E+01 2.23347303E+00 2.41293363E-02-3.23881504E-05 3 2.06137981E-08-5.06006431E-12-4.02225119E+04 1.37499896E+01-3.87319277E+04 4 Cr2N(s) J12/73CR 2N 1 0 0C 300.000 2500.000 1000. 1 8.09841850E+00 1.85336110E-03 1.42273060E-06-5.58963900E-10 6.93071100E-14 2 -1.76848010E+04-3.91474720E+01 2.03033880E+00 3.40064410E-02-6.15249460E-05 3 5.31425480E-08-1.67695210E-11-1.67683130E+04-1.16006980E+01-1.50979548E+04 4 Cr2O3(s) J12/73CR 2O 3 0 0S 300.000 2603.000 1000. 1 1.40122350E+01 1.38239780E-03-2.37792260E-07 1.69950850E-10-3.77058570E-14 2 -1.40982170E+05-7.11015690E+01 2.93327730E+01-1.02073850E-01 2.36011030E-04 3 -2.25780190E-07 7.77992890E-11-1.42404060E+05-1.35742810E+02-1.36519668E+05 4 Cr2FeO4 B /89CR 2FE 1O 4 0S 298.150 2123.000 1000. 1 1.55564505E+01 1.09205438E-02-6.78459948E-06 2.55612113E-09-3.64830765E-13 2 -1.80620170E+05-7.50507389E+01-1.86852265E+00 1.04789892E-01-1.95035400E-04 3 1.68861646E-07-5.48639301E-11-1.78056165E+05 3.76236322E+00-1.75371008E+05 4 Cr3C2(S) B /89C 2CR 3 0 0S 298.150 2168.000 1000. 1 1.43803845E+01 2.40334724E-03 9.15436967E-07-2.48561026E-10 2.79849340E-14 2 -1.50902114E+04-7.34861883E+01-1.68140483E+00 7.44936012E-02-1.22150468E-04 3 9.39505934E-08-2.71337291E-11-1.21690265E+04 2.29813080E+00-1.02656681E+04 4 Cr7C3(S) B /89C 3CR 7 0 0S 298.150 2053.000 1000. 1 2.69325544E+01 8.13786676E-03 1.71106267E-07 2.14298486E-10-5.73918629E-14 2 -2.81724038E+04-1.32914128E+02 1.26480339E+00 1.35085980E-01-2.36886549E-04 3 1.97374948E-07-6.14407486E-11-2.39729821E+04-1.44012483E+01-1.93235681E+04 4 C6Cr23 B /89C 6CR 23 0 0S 298.150 1793.000 1000. 1 9.01158896E+01-3.96673567E-03 2.71679400E-05-9.85562288E-09 1.44623799E-12 2 -6.83766452E+04-4.44799405E+02 1.38920966E+01 3.31573484E-01-5.26586194E-04 3 3.94794929E-07-1.08766607E-10-5.44583198E+04-8.42575556E+01-3.95025083E+04 4 D J 3/82D 1 0 0 0G 200.000 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.59212596E+04 5.91714338E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.59212596E+04 5.91714338E-01 2.66666346E+04 4 E+ J 3/82D 1.E -1. 0. 0.G 298.150 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 1.84511964E+05-1.01838904E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.84511964E+05-1.01838904E-01 1.85257339E+05 4 E- J 3/82D 1.E 1. 0. 0.G 298.150 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 1.64237667E+04-1.01023912E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.64237667E+04-1.01023912E-01 1.71691417E+04 4 DF J 6/77D 1F 1 0 0G 300.000 5000.000 1000. 1 2.72646200E+00 1.50912930E-03-5.17049380E-07 8.54853710E-11-5.41960240E-15 2 -3.39369400E+04 5.82982015E+00 3.49813860E+00 2.21767930E-04-1.33202400E-06 3 2.56194930E-09-1.15122410E-12-3.41832320E+04 1.65507895E+00-3.31376542E+04 4 HD RUS 89H 1D 1 0 0G 200.000 6000.000 1000. 1 2.80029834E+00 1.15623360E-03-3.06064442E-07 4.51518392E-11-2.62838877E-15 2 2.38213151E+02 1.23069947E+00 3.43752369E+00 6.17471555E-04-1.85267846E-06 3 2.32581486E-09-8.35140695E-13-1.77564616E+01-2.41112115E+00 1.02241948E+03 4 HE+ j 9/77H 1.D 1.E -1. 0.G 298.150 6000.000 1000. 1 3.63782858E+00 4.58875734E-04 1.13136423E-07-4.23103495E-11 2.49509008E-15 2 1.78814567E+05-2.37056371E+00 3.88006790E+00-3.06534290E-03 8.17334271E-06 3 -6.80432062E-09 1.98627839E-12 1.78941448E+05-2.79172055E+00 1.80021747E+05 4 HDO L 5/95H 1D 1O 1 0G 200.000 6000.000 1000. 1 0.27939505E+01 0.33086588E-02-0.10334334E-05 0.15472460E-09-0.87503559E-14 2 -0.30407527E+05 0.72889151E+01 0.42115416E+01-0.23855882E-02 0.82921720E-05 3 -0.71895657E-08 0.22865905E-11-0.30709525E+05 0.40224847E+00-0.29499754E+05 4 HDO2 L 5/95H 1D 1O 2 0G 200.000 6000.000 1000. 1 0.48569842E+01 0.41449474E-02-0.14036401E-05 0.22259619E-09-0.13165755E-13 2 -0.18651434E+05 0.74277419E-01 0.41089805E+01 0.13881673E-02 0.13185181E-04 3 -0.18475659E-07 0.76010528E-11-0.18236260E+05 0.50328708E+01-0.16865900E+05 4 DO2 RUS 89D 1.O 2. 0. 0.G 200.000 6000.000 1000. 1 4.45573114E+00 2.06607643E-03-5.66117475E-07 7.20169946E-11-3.62843466E-15 2 -8.10085761E+02 1.63807075E+00 4.02991705E+00-2.78860182E-03 1.84192793E-05 3 -2.24181681E-08 8.78165227E-12-4.19907996E+02 5.24187832E+00 7.80243694E+02 4 SD IU2/03S 1.D 1. 0 0.G 200.000 6000.000 1000. 1 3.24504866E+00 1.25276603E-03-4.46274222E-07 7.30968355E-11-4.33084799E-15 2 1.57906172E+04 4.90618519E+00 3.69382042E+00-1.83803156E-03 5.23925510E-06 3 -3.83522579E-09 8.60488290E-13 1.57961846E+04 3.14078205E+00 1.68548409E+04 4 D2 REF ELEMENT RUS 89D 2 0 0 0G 200.000 6000.000 1000. 1 2.73068929E+00 1.48004781E-03-4.79314848E-07 7.89496274E-11-4.88380823E-15 2 -7.95267504E+02 1.64266094E+00 3.49546974E+00 2.58348159E-04-1.31762502E-06 3 2.42912018E-09-1.05982498E-12-1.04631580E+03-2.51905534E+00 0.00000000E+00 4 D2+ j 9/77D 2.E -1. 0. 0.G 298.150 6000.000 1000. 1 3.92368570E+00 2.22864953E-04 1.96265789E-07-5.64256687E-11 3.39718341E-15 2 1.78913148E+05-3.88393204E+00 3.82876883E+00-3.25946187E-03 1.05345842E-05 3 -1.02332009E-08 3.41909767E-12 1.79164176E+05-2.37676862E+00 1.80235315E+05 4 D2- j 9/77D 2.E 1. 0. 0.G 298.150 6000.000 1000. 1 3.83396908E+00 8.21355049E-04-2.61248475E-07 4.43534405E-11-2.74786624E-15 2 2.70340679E+04-3.26230544E+00 3.25565602E+00 5.02863621E-04 4.26580295E-06 3 -5.93329687E-09 2.34465550E-12 2.72875414E+04 1.93204603E-01 2.83076358E+04 4 D2O g 6/99D 2.O 1. 0. 0.G 200.000 6000.000 1000. 1 2.94501470E+00 3.54821768E-03-1.20330628E-06 1.90642832E-10-1.12513216E-14 2 -3.09820676E+04 6.12279719E+00 4.09682717E+00-1.67121258E-03 7.73454843E-06 3 -6.88015073E-09 2.18930533E-12-3.11758628E+04 7.23653438E-01-2.99729028E+04 4 D2O2 g 6/99D 2.O 2. 0. 0.G 200.000 6000.000 1000. 1 5.14099412E+00 4.24770619E-03-1.51625265E-06 2.48828911E-10-1.50545304E-14 2 -1.92648912E+04-1.82579388E+00 3.99335958E+00 3.03682596E-03 1.02967795E-05 3 -1.60576667E-08 6.83692371E-12-1.87432656E+04 5.12865282E+00-1.73552019E+04 4 D2S g 6/01D 2.S 1. 0. 0.G 200.000 6000.000 1000. 1 3.98099658E+00 2.99684145E-03-1.08624720E-06 1.81265880E-10-1.10816328E-14 2 -4.35437761E+03 2.03253673E+00 3.96539676E+00-9.52689119E-04 9.60156793E-06 3 -9.56853312E-09 3.01603262E-12-4.09459065E+03 3.23907392E+00-2.88730785E+03 4 ELECTRON GAS L 6/88E 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+03-0.11720813E+02 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.74537500E+03-0.11720813E+02 0.00000000E+00 4 F J 6/82F 1 0 0 0G 200.000 6000.000 1000. 1 0.26716339E+01-0.17461853E-03 0.69066504E-07-0.11953478E-10 0.75236739E-15 2 0.87874123E+04 0.39842568E+01 0.24196743E+01 0.29392909E-02-0.89212228E-05 3 0.99118537E-08-0.37947152E-11 0.87573220E+04 0.47468987E+01 0.95483679E+04 4 FO T02/97F 1O 1 0 0G 200.000 6000.000 1000. 1 4.04358718E+00 4.70079704E-04-1.77422596E-07 3.07337664E-11-1.89555657E-15 2 1.18043072E+04 2.67152065E+00 4.36059545E+00-5.48738471E-03 1.79802594E-05 3 -2.02488481E-08 7.76046052E-12 1.19308947E+04 2.17960016E+00 1.31096120E+04 4 FO2 O-F-O T02/97F 1O 2 0 0G 200.000 6000.000 1000. 1 6.49648829E+00 6.38829325E-04-2.77513327E-07 5.02595013E-11-3.24465492E-15 2 4.32341942E+04-7.76168669E+00 3.29857287E+00 2.70051715E-03 1.70484353E-05 3 -2.93209657E-08 1.31782595E-11 4.43324550E+04 1.00991006E+01 4.55348541E+04 4 FO2 F-O-O T02/97F 1O 2 0 0G 200.000 6000.000 1000. 1 6.04302238E+00 6.92267660E-04-1.41442202E-07 1.67666488E-11-1.02129739E-15 2 1.03557297E+03-3.85061644E+00 3.13625166E+00 1.16477108E-02-1.82583930E-05 3 1.50964178E-08-5.01239416E-12 1.73596746E+03 1.05579694E+01 3.05490041E+03 4 F2 REF ELEMENT P 89F 2 0 0 0G 200.000 6000.000 1000. 1 3.86166219E+00 7.88367679E-04-1.81982940E-07-9.17436560E-12 2.65193472E-15 2 -1.23238655E+03 2.04119869E+00 3.20832415E+00 1.25919179E-03 3.89747979E-06 3 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9.33240931E-09-2.89374741E-12 4.35159803E+04 1.22605433E+01 4.45927661E+04 4 FeSO4(s) J 6/66FE 1S 1O 4 0S 300.000 2000.000 1000. 1 1.16089290E+01 1.38046970E-02-9.81263800E-06 3.60878110E-09-5.09762790E-13 2 -1.16191860E+05-5.64778170E+01 3.50576840E+00 3.70297010E-02-2.90335310E-05 3 4.57785890E-09 2.62020870E-12-1.14162500E+05-1.52232410E+01-1.11717626E+05 4 FeS2(s) J 9/77FE 1S 2 0 0C 300.000 1400.000 1000. 1 -8.85153200E+01 3.27489310E-01-4.10574390E-04 2.29281460E-07-4.77644150E-11 2 -4.65124760E+02 4.41730450E+02 4.03456630E-01 4.26746840E-02-8.40306260E-05 3 7.63014410E-08-2.54323160E-11-2.20459270E+04-5.54563930E+00-2.06325071E+04 4 Fe2CL4 J12/70FE 2CL 4 0 0G 300.000 5000.000 1000. 1 1.53575000E+01 6.42078610E-04 2.08177300E-08-5.15805590E-11 6.06734950E-15 2 -5.65100370E+04-3.18965871E+01 1.27382420E+01 1.32355580E-02-2.16418730E-05 3 1.59936670E-08-4.35070970E-12-5.61065790E+04-1.98247491E+01-5.18820452E+04 4 Fe2CL6 J 6/65FE 2CL 6 0 0G 200.000 6000.000 1000. 1 2.15645031E+01 4.62349015E-04-1.84952078E-07 3.20143043E-11-2.01002737E-15 2 -8.52432375E+04-5.86538185E+01 1.42211808E+01 4.35485968E-02-9.60390188E-05 3 9.37463081E-08-3.36051626E-11-8.41996265E+04-2.59244694E+01-7.87030865E+04 4 Fe2O3(S) SoliE-A B /89FE 2O 3 0 0S 298.150 960.000 960. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.52218166E-01 6.70757040E-02-1.12860954E-04 3 9.93356662E-08-3.27580975E-11-1.01344092E+05-6.15024507E+00-9.91336832E+04 4 Fe2O3(S) SoliE-B B /89FE 2O 3 0 0S 960.000 1700.000 1000. 1 3.53051527E+02-9.72758065E-01 1.04598367E-03-4.95511272E-07 8.73647747E-11 2 -1.95976954E+05-1.81528607E+03 8.01447907E+01-6.20141606E-02 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.36185811E+05-4.61194426E+02-9.91336832E+04 4 Fe3C (S) SoliE-A B /89C 1FE 3 0 0S 298.150 485.000 485. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 9.68770665E+00 1.04155445E-02-9.03325722E-07 3 7.59127519E-10 0.00000000E+00-3.25545652E+02-4.56881802E+01 3.01929999E+03 4 Fe3C (S) SoliE-B B /89C 1FE 3 0 0S 485.000 1500.000 1000. 1 1.29117933E+01 1.45677470E-03 5.11471347E-08-2.03130285E-11 2.64589235E-15 2 -1.62949142E+01-5.96219813E+01 1.28970825E+01 1.48707284E-03 3.83705751E-08 3 -2.70661902E-11 6.58822517E-15-1.15745541E+01-5.95430074E+01 3.01929999E+03 4 Fe3C (L) Liquid B /89C 1FE 3 0 0L 1500.000 2000.000 1 1.46661913E+01-1.66080339E-04 1.41368457E-07-5.33048944E-11 7.51357777E-15 2 5.30022441E+03-6.59621815E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3.01929999E+03 4 Fe3O4(S) SoliE-A B /89FE 3O 4 0 0S 298.150 850.000 850. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 4.84450959E+00 4.39051578E-02 5.24676763E-05 3 -2.20801809E-07 1.74856371E-10-1.38015344E+05-2.38418082E+01-1.34509791E+05 4 Fe3O4(S) SoliE-B B /89FE 3O 4 0 0S 850.000 1870.000 1000. 1 8.84307558E+01-1.48964861E-01 1.25760044E-04-4.70060974E-08 6.78732076E-12 2 -1.62143803E+05-4.63815254E+02 7.97181560E+01-9.83508037E-02 4.36398095E-05 3 0.00000000E+00 0.00000000E+00-1.61758880E+05-4.27156556E+02-1.34509791E+05 4 Fe3O4(L) Liquid B /89FE 3O 4 0 0L 1870.000 2000.000 1 2.45827554E+01 1.11718119E-03-2.88207928E-07 0.00000000E+00 0.00000000E+00 2 -1.26461365E+05-1.15899474E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.34509791E+05 4 GeBr RUS 91GE 1.BR 1. 0. 0.G 200.000 6000.000 1000. 1 5.37334408E+00-6.76936973E-04 2.44834869E-07-3.17858430E-11 1.25231490E-15 2 1.48281157E+04 2.07006807E-01 3.55872665E+00 3.55692441E-03-5.33454710E-07 3 -4.21585176E-09 2.54436386E-12 1.53226264E+04 9.65613413E+00 1.65299120E+04 4 GeBr2 RUS 91GE 1.BR 2. 0. 0.G 200.000 6000.000 1000. 1 6.88516604E+00 1.21917413E-04-4.87714621E-08 8.44224690E-12-5.30054609E-16 2 -9.41426303E+03-9.38759565E-01 4.95506908E+00 1.14288300E-02-2.51749286E-05 3 2.45541548E-08-8.79690109E-12-9.13939058E+03 7.66723245E+00-7.33210941E+03 4 GeBr3 RUS 91GE 1.BR 3. 0. 0.G 200.000 6000.000 1000. 1 9.76493341E+00 2.49387982E-04-9.97238821E-08 1.72573376E-11-1.08331733E-15 2 -1.72888982E+04-1.21585258E+01 5.95663141E+00 2.23501022E-02-4.89008509E-05 3 4.74893514E-08-1.69644626E-11-1.67392586E+04 4.86495514E+00-1.43160942E+04 4 GeBr4 RUS 91GE 1.BR 4. 0. 0.G 200.000 6000.000 1000. 1 1.26993588E+01 3.18891973E-04-1.27501775E-07 2.20626094E-11-1.38489060E-15 2 -3.88643283E+04-2.49634414E+01 7.87919568E+00 2.82172586E-02-6.16193016E-05 3 5.97669067E-08-2.13326327E-11-3.81660434E+04-3.40153686E+00-3.49990559E+04 4 GeCL RUS 91GE 1.CL 1. 0. 0.G 200.000 6000.000 1000. 1 5.17762971E+00-4.66039986E-04 1.42197756E-07-1.05389955E-11 6.01746946E-17 2 6.69935596E+03 5.74624469E-03 2.72444852E+00 8.95175345E-03-1.25463066E-05 3 6.75349002E-09-1.04007672E-12 7.19016201E+03 1.18835382E+01 8.30234313E+03 4 GeCL2 singlet A 1/05GE 1.CL 2. 0. 0.G 200.000 6000.000 1000. 1 6.79351478E+00 2.18561190E-04-8.72823862E-08 1.50910985E-11-9.46763902E-16 2 -2.21563223E+04-3.25039811E+00 3.84255008E+00 1.67529188E-02-3.57118572E-05 3 3.40926252E-08-1.20372990E-11-2.17097912E+04 1.00619837E+01-2.00733417E+04 4 GeCL2 triplet A 1/05GE 1.CL 2. 0. 0.G 200.000 6000.000 1000. 1 6.81293089E+00 1.98046120E-04-7.90981674E-08 1.36770236E-11-8.58091771E-16 2 1.02206003E+04-1.95991296E+00 4.11512740E+00 1.53508236E-02-3.27831640E-05 3 3.13344673E-08-1.10725565E-11 1.06275124E+04 1.02027699E+01 1.23037918E+04 4 GeCL3 A 1/05GE 1.CL 3. 0. 0.G 200.000 6000.000 1000. 1 9.66739396E+00 3.52083734E-04-1.40609944E-07 2.43120518E-11-1.52528179E-15 2 -3.11661085E+04-1.46964485E+01 4.87749855E+00 2.72689732E-02-5.82615423E-05 3 5.57079208E-08-1.96911957E-11-3.04439818E+04 6.89576825E+00-2.81916794E+04 4 GeCL4 A 1/05GE 1.CL 4. 0. 0.G 200.000 6000.000 1000. 1 1.24258326E+01 6.06654290E-04-2.42012844E-07 4.18147899E-11-2.62205604E-15 2 -6.40524947E+04-2.93922591E+01 4.88842695E+00 4.18964270E-02-8.77843613E-05 3 8.28593113E-08-2.90301372E-11-6.28780637E+04 4.80674244E+00-6.01839435E+04 4 GeH3Cl A 1/05GE 1.H 3.CL 1. 0.G 200.000 6000.000 1000. 1 7.05170839E+00 5.69805692E-03-2.14367790E-06 3.56659527E-10-2.17964076E-14 2 4.17257822E+03-1.06064602E+01 1.12153499E+00 2.60156187E-02-3.16506126E-05 3 2.16972347E-08-6.24282523E-12 5.68867761E+03 1.92353641E+01 6.93967534E+03 4 GeH4 A 1/05GE 1.H 4. 0. 0.G 200.000 6000.000 1000. 1 5.41474159E+00 7.24155154E-03-2.71818301E-06 4.51535021E-10-2.75635275E-14 2 8.46356611E+03-7.83419271E+00 2.54992789E+00 7.13885765E-03 1.43758337E-05 3 -2.33592977E-08 9.65676013E-12 9.69756465E+03 9.02678812E+00 1.08605318E+04 4 H L 6/94H 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 0.25473660E+05-0.44668285E+00 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.25473660E+05-0.44668285E+00 0.26219035E+05 4 H+ L 7/88H 1E -1 0 0G 200.000 6000.000 1000. 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.18402143E+06-0.11406466E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.18402143E+06-0.11406466E+01 0.18476680E+06 4 H- L/7/88H 1E 1 0 0G 298.150 6000.000 1000. 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.15976167E+05-0.11390139E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.15976167E+05-0.11390139E+01 0.16721542E+05 4 HBR RUS 89H 1BR 1 0 0G 200.000 5000.000 1000. 1 0.28330819E+01 0.14872632E-02-0.51463345E-06 0.87853840E-10-0.57591453E-14 2 -0.52289003E+04 0.74405672E+01 0.34894141E+01 0.27295667E-03-0.15997163E-05 3 0.33659948E-08-0.16408428E-11-0.54089034E+04 0.39796907E+01-0.43646589E+04 4 HCL RUS 89H 1CL 1 0 0G 200.000 6000.000 1000. 1 0.27575767E+01 0.14538737E-02-0.47964697E-06 0.77790943E-10-0.47957377E-14 2 -0.11913766E+05 0.65219722E+01 0.34637647E+01 0.47648423E-03-0.20030122E-05 3 0.33171437E-08-0.14495818E-11-0.12144352E+05 0.26642828E+01-0.11102278E+05 4 HOCL RUS 89H 1O 1CL 1 0G 200.000 6000.000 1000. 1 0.43664934E+01 0.20513656E-02-0.67087650E-06 0.10131893E-09-0.57791828E-14 2 -0.10576070E+05 0.28049555E+01 0.35465037E+01 0.23321738E-02 0.52331522E-05 3 -0.97366010E-08 0.44672936E-11-0.10299629E+05 0.73974601E+01-0.91094784E+04 4 HF RUS 89H 1F 1 0 0G 200.000 6000.000 1000. 1 0.29204304E+01 0.85796097E-03-0.16306811E-06 0.13780358E-10-0.29021238E-15 2 -0.33685882E+05 0.42144066E+01 0.34811480E+01 0.21334107E-03-0.68985280E-06 3 0.85966803E-09-0.23549086E-12-0.33913127E+05 0.10259567E+01-0.32870247E+05 4 HOF RUS 89H 1O 1F 1 0G 200.000 6000.000 1000. 1 0.41252846E+01 0.23151964E-02-0.77666557E-06 0.11954885E-09-0.69172673E-14 2 -0.13072651E+05 0.28986184E+01 0.39203542E+01-0.13992801E-02 0.13911528E-04 3 -0.17901805E-07 0.72456494E-11-0.12851722E+05 0.48785828E+01-0.11654111E+05 4 HI J 9/61H 1I 1 0 0G 300.000 5000.000 1000. 1 2.91040080E+00 1.56881880E-03-5.92276320E-07 1.05370940E-10-7.03751160E-15 2 2.25086590E+03 7.86447051E+00 3.69637220E+00-1.42247550E-03 3.01311880E-06 3 -1.26664030E-09-3.50987650E-14 2.10735810E+03 4.08812111E+00 3.17030779E+03 4 HNO L12/89H 1N 1O 1 0G 200.000 3500.000 1000. 1 0.31655229E+01 0.30000862E-02-0.39436619E-06-0.38575815E-10 0.70807189E-14 2 0.11194426E+05 0.76477833E+01 0.45352475E+01-0.56853972E-02 0.18519850E-04 3 -0.17188273E-07 0.55583207E-11 0.11039881E+05 0.17431919E+01 0.12271645E+05 4 HNO2 RUS 89H 1N 1O 2 0G 200.000 6000.000 1000. 1 0.57919018E+01 0.36515212E-02-0.12928936E-05 0.20688716E-09-0.12315254E-13 2 -0.11565589E+05-0.40558233E+01 0.32141709E+01 0.81276869E-02 0.16602559E-05 3 -0.95285182E-08 0.48715058E-11-0.10753237E+05 0.98219504E+01-0.94355439E+04 4 HNO3 T 8/03H 1.N 1.O 3. 0.G 200.000 6000.000 1000. 1 8.03098942E+00 4.46958589E-03-1.72459491E-06 2.91556153E-10-1.80102702E-14 2 -1.93138183E+04-1.62616537E+01 1.69329154E+00 1.90167702E-02-8.25176697E-06 3 -6.06113827E-09 4.65236978E-12-1.74198909E+04 1.71839838E+01-1.61524852E+04 4 OH HYDROXYL RADI IU3/03O 1.H 1. 0. 0.G 200.000 6000.000 1000. 1 2.83853033E+00 1.10741289E-03-2.94000209E-07 4.20698729E-11-2.42289890E-15 2 3.69780808E+03 5.84494652E+00 3.99198424E+00-2.40106655E-03 4.61664033E-06 3 -3.87916306E-09 1.36319502E-12 3.36889836E+03-1.03998477E-01 4.48613328E+03 4 OH+ RUS 78O 1H 1E -1 0G 298.150 6000.000 1000. 1 2.68358997E+00 1.57006432E-03-5.39972805E-07 9.37643859E-11-5.70068055E-15 2 1.54395744E+05 6.44375888E+00 3.50502572E+00 2.41313749E-04-1.42200949E-06 3 2.64780232E-09-1.17038711E-12 1.54127124E+05 1.97907627E+00 1.55174989E+05 4 OH- L 3/93O 1H 1E 1 0G 298.150 6000.000 1000. 1 2.83405701E+00 1.07058023E-03-2.62459398E-07 3.08376435E-11-1.31383862E-15 2 -1.80186974E+04 4.49464762E+00 3.43279956E+00 6.19656310E-04-1.89930992E-06 3 2.37365946E-09-8.55103755E-13-1.82613086E+04 1.06053670E+00-1.72227709E+04 4 HPO RUS 89H 1P 1O 1 0G 200.000 6000.000 1000. 1 0.42999621E+01 0.26002099E-02-0.99411489E-06 0.16916642E-09-0.10420412E-13 2 -0.84075730E+04 0.27172028E+01 0.40742366E+01-0.31019711E-02 0.18964972E-04 3 -0.22506453E-07 0.86340185E-11-0.80437690E+04 0.53965266E+01-0.68397546E+04 4 SH IU2/03S 1.H 1. 0. 0.G 200.000 6000.000 1000. 1 3.03153027E+00 1.25805252E-03-4.05524133E-07 6.19648110E-11-3.50862111E-15 2 1.62059674E+04 6.15022140E+00 3.68466877E+00 3.24608824E-03-1.28635079E-05 3 1.69512196E-08-7.07595387E-12 1.59036477E+04 2.01781634E+00 1.70629418E+04 4 SOH T 4/93S 1O 1H 1 0G 200.000 6000.000 1000. 1 0.43544347E+01 0.20549939E-02-0.67083934E-06 0.10119158E-09-0.57672355E-14 2 -0.39895568E+04 0.32303081E+01 0.36922437E+01 0.44545692E-03 0.10785948E-04 3 -0.15975515E-07 0.68858806E-11-0.37006791E+04 0.73216957E+01-0.25130640E+04 4 HSO T 4/93H 1S 1O 1 0G 200.000 6000.000 1000. 1 0.45416010E+01 0.22648458E-02-0.83152058E-06 0.13614796E-09-0.82290966E-14 2 -0.21608556E+04 0.23357633E+01 0.34130925E+01 0.32105128E-02 0.38960721E-05 3 -0.81958128E-08 0.37789804E-11-0.17554966E+04 0.86522782E+01-0.57517665E+03 4 HO2 L 5/89H 1O 2 0 0G 200.000 6000.000 1000. 1 0.41722659E+01 0.18812098E-02-0.34629297E-06 0.19468516E-10 0.17609153E-15 2 0.61818851E+02 0.29577974E+01 0.43017880E+01-0.47490201E-02 0.21157953E-04 3 -0.24275961E-07 0.92920670E-11 0.29480876E+03 0.37167010E+01 0.15096500E+04 4 HO2S T11/96H 1O 2S 1 0G 200.000 6000.000 1000. 1 6.45143466E+00 2.48602888E-03-8.43212436E-07 1.30962437E-10-7.63196759E-15 2 -3.29875786E+04-4.61876333E+00 3.69601366E+00 9.53437650E-03-3.92988151E-06 3 -4.41313434E-09 3.33020726E-12-3.22589853E+04 9.59023664E+00-3.07751148E+04 4 HSO3 T 3/93H 1S 1O 3 0G 200.000 6000.000 1000. 1 0.91911575E+01 0.27980912E-02-0.97493219E-06 0.15441946E-09-0.91299297E-14 2 -0.49457258E+05-0.18510636E+02 0.90501684E+00 0.38941616E-01-0.63379448E-04 3 0.49872276E-07-0.15179855E-10-0.47836694E+05 0.21006792E+02-0.46304593E+05 4 HS2 anharmonic T 3/03H 1.S 2. 0. 0.G 200.000 6000.000 1000. 1 4.75155728E+00 2.15521745E-03-7.39343908E-07 1.22229939E-10-7.35968292E-15 2 1.08214337E+04 2.68990027E+00 2.96279116E+00 8.56185025E-03-9.91987786E-06 3 6.19874244E-09-1.52120491E-12 1.12507023E+04 1.15828502E+01 1.24384961E+04 4 HS2 RRHO T 4/02H 1.S 2. 0. 0.G 200.000 6000.000 1000. 1 5.00284875E+00 1.53333839E-03-3.71725630E-07 4.12310396E-11-1.83712860E-15 2 5.09462277E+04 1.36789719E+00 2.96323558E+00 8.55501824E-03-1.00388287E-05 3 6.25269399E-09-1.52826367E-12 5.14497883E+04 1.15800366E+01 1.25804170E+04 4 H2 REF ELEMENT RUS 78H 2 0 0 0G 200.000 6000.000 1000. 1 0.29328305E+01 0.82659802E-03-0.14640057E-06 0.15409851E-10-0.68879615E-15 2 -0.81305582E+03-0.10243164E+01 0.23443029E+01 0.79804248E-02-0.19477917E-04 3 0.20156967E-07-0.73760289E-11-0.91792413E+03 0.68300218E+00 0.00000000E+00 4 H2F2 RUS 89H 2F 2 0 0G 200.000 6000.000 1000. 1 0.65095969E+01 0.19848359E-02-0.46422746E-06 0.49022863E-10-0.18846028E-14 2 -0.70500916E+05-0.61547561E+01 0.33553129E+01 0.22103635E-01-0.43986009E-04 3 0.40099889E-07-0.13495484E-10-0.70212768E+05 0.72994688E+01-0.68545684E+05 4 H2O(s) L 8/89H 2O 1 0 0S 200.000 273.150 273.15 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 5.29677970E+00-6.75749247E-02 5.16942109E-04 3 -1.43853360E-06 1.52564794E-09-3.62266557E+04-1.79220428E+01-3.59742186E+04 4 H2O(L) L 8/89H 2O 1 0 0L 273.150 600.000 600. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 7.25575005E+01-6.62445402E-01 2.56198746E-03 3 -4.36591923E-06 2.78178981E-09-4.18865499E+04-2.88280137E+02-3.43772513E+04 4 H2O L 5/89H 2O 1 0 0G 200.000 6000.000 1000. 1 0.26770389E+01 0.29731816E-02-0.77376889E-06 0.94433514E-10-0.42689991E-14 2 -0.29885894E+05 0.68825500E+01 0.41986352E+01-0.20364017E-02 0.65203416E-05 3 -0.54879269E-08 0.17719680E-11-0.30293726E+05-0.84900901E+00-0.29084817E+05 4 H2O2(L) RUS/89H 2O 2 0 0L 272.740 6000.000 1000. 1 1.07426738E+01 1.64789013E-06-7.92451706E-10 1.53610575E-13-1.04359108E-17 2 -2.57871325E+04-4.80251356E+01 1.07394015E+01 2.99630938E-05-7.13210384E-08 3 7.09751854E-11-2.53463009E-14-2.57871465E+04-4.80128553E+01-2.25843640E+04 4 H2O2 T 8/03H 2.O 2. 0. 0.G 200.000 6000.000 1000. 1 4.57977305E+00 4.05326003E-03-1.29844730E-06 1.98211400E-10-1.13968792E-14 2 -1.80071775E+04 6.64970694E-01 4.31515149E+00-8.47390622E-04 1.76404323E-05 3 -2.26762944E-08 9.08950158E-12-1.77067437E+04 3.27373319E+00-1.63425145E+04 4 H2S RUS 89H 2S 1 0 0G 200.000 6000.000 1000. 1 0.29770813E+01 0.36005325E-02-0.12328487E-05 0.19692654E-09-0.11677327E-13 2 -0.35155970E+04 0.67868340E+01 0.41194112E+01-0.18771599E-02 0.82066045E-05 3 -0.70594243E-08 0.21405829E-11-0.36819294E+04 0.15345832E+01-0.24775964E+04 4 H2SO4(L) J 9/77H 2S 1O 4 0L 300.000 1000.000 1000. 1 9.94215250E+00 2.17863690E-02 3.49744580E-06-3.35488570E-09 1.16995860E-12 2 -1.01859790E+05-4.43986950E+01 9.94215250E+00 2.17863690E-02 3.49744580E-06 3 -3.35488570E-09 1.16995860E-12-1.01859790E+05-4.43986950E+01-9.79023828E+04 4 H2SO4 T 8/03H 2.S 1.O 4. 0.G 200.000 6000.000 1000. 1 1.13355392E+01 5.60829109E-03-1.94574192E-06 3.07136054E-10-1.81109544E-14 2 -9.21087435E+04-2.96094003E+01 4.53388173E+00 3.10347679E-02-4.10421795E-05 3 2.95752341E-08-8.81459071E-12-9.05459072E+04 3.93961412E+00-8.81230524E+04 4 H2S2 H-S-S-H T 3/03H 2.S 2. 0. 0.G 200.000 6000.000 1000. 1 5.69402902E+00 3.90495326E-03-1.41886468E-06 2.30688658E-10-1.38745854E-14 2 -1.65807167E+02-3.74138641E+00 2.09117166E+00 1.94220358E-02-2.89395611E-05 3 2.30251562E-08-7.20187083E-12 5.91056782E+02 1.35883795E+01 1.86421088E+03 4 H3F3 RUS 89H 3F 3 0 0G 200.000 6000.000 1000. 1 0.87390503E+01 0.59975373E-02-0.20456662E-05 0.31840506E-09-0.18565610E-13 2 -0.10935328E+06-0.18233375E+02 0.15442408E+01 0.38576820E-01-0.59195549E-04 3 0.45635939E-07-0.13570689E-10-0.10801711E+06 0.15744454E+02-0.10628128E+06 4 H3O+ RUS 89H 3O 1E -1 0G 298.150 6000.000 1000. 1 0.24964777E+01 0.57284481E-02-0.18395322E-05 0.27357729E-09-0.15409386E-13 2 0.70972911E+05 0.74585048E+01 0.37929561E+01-0.91087830E-03 0.11636414E-04 3 -0.12136548E-07 0.42616180E-11 0.70751240E+05 0.14715543E+01 0.71922458E+05 4 H4F4 RUS 89H 4F 4 0 0G 200.000 6000.000 1000. 1 0.12317199E+02 0.79983433E-02-0.27282048E-05 0.42465241E-09-0.24761183E-13 2 -0.14704897E+06-0.31058240E+02 0.26932762E+01 0.51626337E-01-0.79360527E-04 3 0.61278889E-07-0.18250746E-10-0.14526330E+06 0.14381384E+02-0.14275433E+06 4 H5F5 RUS 89H 5F 5 0 0G 200.000 6000.000 1000. 1 0.15895341E+02 0.99991630E-02-0.34107496E-05 0.53090070E-09-0.30956799E-13 2 -0.18474466E+06-0.44099390E+02 0.38423046E+01 0.64675877E-01-0.99525494E-04 3 0.76921762E-07-0.22930752E-10-0.18250949E+06 0.12802019E+02-0.17922738E+06 4 H6F6 RUS 89H 6F 6 0 0G 200.000 6000.000 1000. 1 0.19464060E+02 0.11926891E-01-0.40493043E-05 0.62823170E-09-0.36546130E-13 2 -0.22389232E+06-0.56827093E+02 0.47664477E+01 0.78603132E-01-0.12115664E-03 3 0.93614852E-07-0.27894457E-10-0.22117213E+06 0.12546784E+02-0.21715593E+06 4 H7F7 RUS 89H 7F 7 0 0G 200.000 6000.000 1000. 1 0.23051635E+02 0.14000785E-01-0.47758323E-05 0.74339634E-09-0.43347992E-13 2 -0.26049687E+06-0.70563434E+02 0.61403336E+01 0.90775247E-01-0.13985636E-03 3 0.10820867E-06-0.32291248E-10-0.25736269E+06 0.92617199E+01-0.25253430E+06 4 He REF ELEMENT L10/90HE 1 0 0 0G 200.000 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 9.28723974E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28723974E-01 0.00000000E+00 4 He+ L10/92HE 1E -1 0 0G 298.150 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.85315086E+05 1.62166556E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.85315086E+05 1.62166556E+00 2.86060462E+05 4 Hg(cr)REF ELEMENT J12/61HG 1. 0. 0. 0.S 200.000 234.290 234.29 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 2.43103385E+00 4.24646658E-03 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.17886806E+03-7.11248114E+00 0.00000000E+00 4 Hg(L) J12/61HG 1. 0. 0. 0.L 234.290 2000.000 1000. 1 3.03653487E+00 3.16006666E-04 6.43901172E-08-2.92306991E-11 4.86860918E-15 2 -8.88170502E+02-8.17243018E+00 3.79685248E+00-2.09026109E-03 2.22267107E-06 3 -1.08605655E-10-4.28087248E-13-1.05834631E+03-1.19626936E+01 0.00000000E+00 4 Hg J 9/84HG 1. 0. 0. 0.G 200.000 6000.000 1000. 1 2.50953611E+00-1.98827279E-05 1.38910849E-08-3.93542920E-12 3.90959219E-16 2 6.63358064E+03 6.74847966E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 6.63690008E+03 6.80020154E+00 7.38227508E+03 4 HgBr2(s) J 3/62HG 1.BR 2. 0. 0.S 300.000 514.000 514. 1 8.28297140E+00 1.63023640E-03 3.42298790E-06 7.09619920E-10-4.33538620E-12 2 -2.29524380E+04-2.73452760E+01 8.28297140E+00 1.63023640E-03 3.42298790E-06 3 7.09619920E-10-4.33538620E-12-2.29524380E+04-2.73452760E+01-2.03808119E+04 4 HgBr2(L) J 3/62HG 1.BR 2. 0. 0.L 514.000 5000.000 1000. 1 1.22787990E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.25008980E+04-4.68512120E+01 1.22787990E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.25008980E+04-4.68512120E+01 0.00000000E+00 4 HgBr2 J 3/62HG 1.BR 2. 0. 0.G 300.000 5000.000 1000. 1 7.42269900E+00 7.86876630E-05-2.99103070E-08 4.84982280E-12-2.79309330E-16 2 -1.25220200E+04-3.86733971E+00 6.71889210E+00 2.57827430E-03-2.91802370E-06 3 9.58184420E-10 1.38723070E-13-1.23714340E+04-4.13670823E-01-1.02774216E+04 4 HgCl Calomel T12/03HG 1.CL 1. 0. 0.G 298.150 5000.000 1000. 1 4.45021150E+00 1.51707424E-04-2.26822222E-08 4.20577307E-12-2.88049761E-16 2 8.08558085E+03 5.83071658E+00 3.74145448E+00 3.69165193E-03-6.83637866E-06 3 5.88297146E-09-1.89767893E-12 8.20538451E+03 9.10829950E+00 9.43531248E+03 4 HgCl2 T12/03HG 1.CL 2. 0. 0.G 1500.000 6000.000 1 7.39652541E+00 8.32747985E-05-2.47105146E-08 3.02995739E-12-1.23771168E-16 2 -1.98011886E+04 1.55281444E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.75945426E+04 4 HgO(s) J 6/62HG 1.O 1. 0. 0.C 300.000 1000.000 1000. 1 3.41708660E+00 7.11605700E-03-1.48969960E-06-4.49135480E-09 2.59379240E-12 2 -1.22332700E+04-1.30371850E+01 3.41708660E+00 7.11605700E-03-1.48969960E-06 3 -4.49135480E-09 2.59379240E-12-1.22332700E+04-1.30371850E+01-1.09189916E+04 4 I J 6/82I 1 0 0 0G 200.000 6000.000 1000. 1 2.61667712E+00-2.66010320E-04 1.86060150E-07-3.81927472E-11 2.52036053E-15 2 1.20582790E+04 6.87896653E+00 2.50041683E+00-4.48046831E-06 1.69962536E-08 3 -2.67708030E-11 1.48927452E-14 1.20947990E+04 7.49816581E+00 1.28402035E+04 4 INO2 NITRO-IODIN T05/99I 1N 1O 2 0G 200.000 6000.000 1000. 1 7.95621858E+00 2.06254528E-03-8.00706693E-07 1.35937003E-10-8.42239842E-15 2 4.51430115E+03-1.11369097E+01 3.03369023E+00 2.20635097E-02-3.60079637E-05 3 3.05880596E-08-1.03317241E-11 5.62372932E+03 1.28994935E+01 7.24631999E+03 4 IO T02/97I 1O 1 0 0G 200.000 6000.000 1000. 1 4.43373036E+00 8.12520620E-04-3.07327741E-07 6.49186840E-11-1.64640359E-15 2 1.36225573E+04 2.96744910E+00 2.90243248E+00 5.16413407E-03-6.69836698E-06 3 5.78794148E-09-2.15394553E-12 1.41080990E+04 1.10195868E+01 1.51542304E+04 4 IO2 O-O-I T02/97I 1O 2 0 0G 200.000 6000.000 1000. 1 5.98554951E+00 1.00992962E-03-3.88836232E-07 6.56594736E-11-4.05315145E-15 2 1.20886501E+04 1.04056474E+00 5.01488370E+00 4.03669659E-03-5.27430680E-06 3 4.73349091E-09-1.84251518E-12 1.23751572E+04 6.06532665E+00 1.40116495E+04 4 IO2 O-I-O T02/97I 1O 2 0 0G 200.000 6000.000 1000. 1 6.34102047E+00 6.83348986E-04-2.69576480E-07 4.62346615E-11-2.88443810E-15 2 1.70776899E+04-2.88252557E+00 3.42630811E+00 1.04246908E-02-1.18836503E-05 3 5.37825233E-09-5.47457748E-13 1.77689996E+04 1.16760933E+01 1.91592770E+04 4 IO3 T02/97I 1O 3 0 0G 200.000 6000.000 1000. 1 8.79038934E+00 1.25737248E-03-4.96749925E-07 8.52803184E-11-5.32401360E-15 2 2.61270594E+04-1.59036984E+01 1.87546093E+00 2.97337732E-02-4.73077645E-05 3 3.59378000E-08-1.06083014E-11 2.75649245E+04 1.74919459E+01 2.90937169E+04 4 I2 J 9/61I 2 0 0 0G 300.000 5000.000 1000. 1 0.44710820E+01 0.10020430E-03-0.14380573E-07 0.27741939E-11-0.19669640E-15 2 0.61639529E+04 0.58150347E+01 0.41670013E+01 0.14456721E-02-0.22818415E-05 3 0.17076469E-08-0.47899533E-12 0.62206616E+04 0.72552216E+01 0.75073722E+04 4 I2O I-I-O T02/97I 2O 1 0 0G 200.000 6000.000 1000. 1 6.67743067E+00 3.35545667E-04-1.32620068E-07 2.27738344E-11-1.42202132E-15 2 1.07480142E+04 1.43598484E+00 4.83414789E+00 7.77521188E-03-1.20331147E-05 3 8.84990542E-09-2.52444240E-12 1.11361166E+04 1.03678902E+01 1.28329872E+04 4 I2O I-O-I T02/97I 2O 1 0 0G 200.000 6000.000 1000. 1 6.69553230E+00 3.20537584E-04-1.27603300E-07 2.20163162E-11-1.37922928E-15 2 1.22845166E+04-1.37479980E+00 3.43863289E+00 1.69797854E-02-3.36137723E-05 3 3.04801550E-08-1.03756973E-11 1.28341774E+04 1.36477676E+01 1.43724645E+04 4 K(cr) REF ELEMENT CODA89K 1. 0. 0. 0.C 200.000 336.860 336.86 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-2.08951123E+00 6.16320193E-02-2.40731903E-04 3 3.27255823E-07 0.00000000E+00-6.36098059E+02 9.11736910E+00 0.00000000E+00 4 K(L) REF ELEMENT CODA89K 1. 0. 0. 0.L 336.860 2200.000 1000. 1 4.64954931E+00-2.79174106E-03 1.80836337E-06 3.41244868E-11-4.48782184E-15 2 -1.01467797E+03-1.71767347E+01 4.22910563E+00-7.06885543E-04-2.12965848E-06 3 3.36227270E-09-1.05902602E-12-9.45117514E+02-1.52340054E+01 0.00000000E+00 4 K L 4/93K 1. 0. 0. 0.G 200.000 6000.000 1000. 1 2.26026721E+00 5.62341179E-04-4.48551838E-07 1.36243498E-10-1.02926268E-14 2 1.00348812E+04 6.31568201E+00 2.50000712E+00-7.25113166E-08 2.59068481E-10 3 -3.79460911E-13 1.93210641E-16 9.95880307E+03 5.04054517E+00 1.07041786E+04 4 K+ J12/83K 1.E -1. 0. 0.G 298.150 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 6.10751051E+04 4.34740449E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 6.10751051E+04 4.34740449E+00 6.18204801E+04 4 KNO3(a) Rhombic G09/02K 1.N 1.O 3. 0.S 200.000 402.000 402. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 2.27228768E+02-3.37546448E+00 1.90895706E-02 3 -4.65580008E-05 4.14595689E-08-7.10865075E+04-7.91333595E+02-5.94142048E+04 4 KNO3(b) Hexagonal G09/02K 1.N 1.O 3. 0.S 402.000 607.700 607.7 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 4.11832358E+03-3.39709442E+01 1.04795707E-01 3 -1.42778041E-04 7.24825679E-08-4.55407739E+05-1.68673429E+04-5.94142048E+04 4 KNO3(L) G09/02K 1.N 1.O 3. 0.L 607.700 6000.000 1000. 1 1.69583829E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -6.16499439E+04-8.01839152E+01 1.69583829E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-6.16499439E+04-8.01839152E+01-5.94142048E+04 4 KNO3(G) G 2/03K 1.N 1.O 3. 0.G 200.000 6000.000 1000. 1 9.83342547E+00 3.24949762E-03-1.28263805E-06 2.21146538E-10-1.38801628E-14 2 -4.15640186E+04-2.06635840E+01 4.62661240E+00 1.20422956E-02 5.33588742E-06 3 -1.98979277E-08 9.90068378E-12-3.99129238E+04 7.42946290E+00-3.79857622E+04 4 K20(g) T 1/03K 2.O 1. 0. 0.G 200.000 6000.000 1000. 1 6.85373450E+00 1.20610755E-04-3.58446400E-08 4.41811547E-12-1.85943403E-16 2 -1.10138636E+04-4.75445780E+00 4.46818995E+00 1.27465910E-02-2.62629170E-05 3 2.45126610E-08-8.52179219E-12-1.06216912E+04 6.17284336E+00-8.91056719E+03 4 K2O2(g) T 1/03K 2.O 2. 0. 0.G 200.000 6000.000 1000. 1 9.31212268E+00 7.27176294E-04-2.92192682E-07 5.09662863E-11-3.22456333E-15 2 -2.60045018E+04-1.67867684E+01 3.88984198E+00 2.72139924E-02-5.18905525E-05 3 4.60841100E-08-1.55025439E-11-2.50345980E+04 8.51183208E+00-2.30399627E+04 4 Kr REF ELEMENT L10/90KR 1 0 0 0G 200.000 6000.000 1000. 1 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.45375000E+02 5.49095651E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 5.49095651E+00 0.00000000E+00 4 Kr+ L10/92KR 1E -1 0 0G 298.150 6000.000 1000. 1 2.18968725E+00 4.63775689E-04-1.29507482E-07 1.31158688E-11-3.84977987E-16 2 1.62583110E+05 8.62427685E+00 2.48153546E+00 1.49864676E-04-4.15576590E-07 3 4.40237547E-10-1.19374746E-13 1.62460592E+05 6.95257995E+00 1.63204264E+05 4 Mg(cr)REF ELEMENT SRD 93MG 1. 0. 0. 0.C 298.150 923.000 923. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.47884944E+00 9.27430526E-03-1.95050788E-05 3 1.98215527E-08-7.04927374E-12-7.16649299E+02-6.57222695E+00 0.00000000E+00 4 Mg(L) SRD 93MG 1. 0. 0. 0.C 923.000 6000.000 1000. 1 4.12531827E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -6.58934341E+02-1.93786894E+01 4.12531827E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-6.58934341E+02-1.93786894E+01 0.00000000E+00 4 Mg J 9/83MG 1. 0. 0. 0.G 200.000 6000.000 1000. 1 2.31664484E+00 3.65866339E-04-2.33227803E-07 5.37117570E-11-2.99513065E-15 2 1.70119233E+04 4.63449516E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.69465876E+04 3.63433014E+00 1.76919626E+04 4 Mg+ J 9/83MG 1.E -1. 0. 0.G 298.150 6000.000 1000. 1 2.50416574E+00-9.19340966E-06 6.96171478E-09-2.17494938E-12 2.40903346E-16 2 1.06420941E+05 4.30504494E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 1.06422335E+05 4.32744355E+00 1.07167710E+05 4 MgAL2O4(s) J12/79MG 1.AL 2.O 4. 0.C 300.000 2408.000 1000. 1 1.46976790E+01 9.33047970E-03-3.55225980E-06 1.15505300E-09-1.43345310E-13 2 -2.81664110E+05-7.66686850E+01-6.39126250E+00 1.17188600E-01-2.13251780E-04 3 1.82774050E-07-5.88319910E-11-2.78271410E+05 2.01327010E+01-2.76518945E+05 4 MgAL2O4(L) J12/79MG 1.AL 2.O 4. 0.C 2408.000 5000.000 1 2.64191880E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.68835360E+05-1.41985810E+02 2.64191880E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.68835360E+05-1.41985810E+02 0.00000000E+00 4 MgBr J 6/75MG 1.BR 1. 0. 0.G 300.000 5000.000 1000. 1 4.40998540E+00 1.60217360E-04-4.15012230E-08 5.93703420E-12-4.82315730E-17 2 -5.59619090E+03 4.22960309E+00 3.51072850E+00 4.45285100E-03-8.01240750E-06 3 6.70669000E-09-2.12327180E-12-5.43682570E+03 8.43148999E+00-4.25072458E+03 4 MgBr2(s) J 6/74MG 1.BR 2. 0. 0.C 300.000 984.000 984. 1 5.19664220E+00 2.06702530E-02-3.72539390E-05 3.19375640E-08-9.95070160E-12 2 -6.52526160E+04-2.02889100E+01 5.19664220E+00 2.06702530E-02-3.72539390E-05 3 3.19375640E-08-9.95070160E-12-6.52526160E+04-2.02889100E+01-6.30552290E+04 4 MgBr2(L) J 6/74MG 1.BR 2. 0. 0.C 984.000 5000.000 1000. 1 1.25807370E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -6.39629820E+04-5.62554600E+01 1.25807370E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-6.39629820E+04-5.62554600E+01 0.00000000E+00 4 MgBr2 J 6/74MG 1.BR 2. 0. 0.G 300.000 5000.000 1000. 1 7.32151000E+00 2.06437250E-04-9.24892080E-08 1.82558380E-11-1.32311700E-15 2 -3.86713040E+04-5.67846591E+00 5.71391020E+00 7.73216170E-03-1.38657930E-05 3 1.14779000E-08-3.60578840E-12-3.83794830E+04 1.86860229E+00-3.64337335E+04 4 MgCO3(s) J12/66MG 1.C 1.O 3. 0.C 300.000 1000.000 1000. 1 1.34919240E+00 3.69341120E-02-4.44929520E-05 3.18159060E-08-9.75453000E-12 2 -1.35416850E+05-9.06187320E+00 1.34919240E+00 3.69341120E-02-4.44929520E-05 3 3.18159060E-08-9.75453000E-12-1.35416850E+05-9.06187320E+00-1.33707806E+05 4 MgCL J 3/66MG 1.CL 1. 0. 0.G 300.000 5000.000 1000. 1 4.37758330E+00 1.88341780E-04-5.44885920E-08 9.94810310E-12-6.69496110E-16 2 -6.58308260E+03 2.98938866E+00 3.38005340E+00 4.28133890E-03-6.44573330E-06 3 4.44722910E-09-1.14217270E-12-6.38265600E+03 7.78898816E+00-5.23329928E+03 4 MgCL+ J 6/68MG 1.CL 1.E -1. 0.G 300.000 5000.000 1000. 1 6.35123440E+00-3.79671900E-03 2.47129450E-06-5.08236530E-10 3.36726250E-14 2 7.64808790E+04-8.29036227E+00 3.60122300E+00 3.47918590E-03-5.13531430E-06 3 3.44463370E-09-8.38482060E-13 7.73146880E+04 6.13385933E+00 7.85040728E+04 4 MgCLF J 3/66MG 1.CL 1.F 1. 0.G 200.000 6000.000 1000. 1 6.57082252E+00 4.48876208E-04-1.77994819E-07 3.06318205E-11-1.91554544E-15 2 -7.05235977E+04-5.83555414E+00 3.15704293E+00 1.64534790E-02-3.01126869E-05 3 2.57974606E-08-8.42487547E-12-6.98910040E+04 1.02255402E+01-6.84374665E+04 4 MgCL2(s) J12/65MG 1.CL 2. 0. 0.C 300.000 987.000 987. 1 5.44912960E+00 1.67452240E-02-2.59569070E-05 1.91115730E-08-5.10590140E-12 2 -7.93438940E+04-2.42610840E+01 5.44912960E+00 1.67452240E-02-2.59569070E-05 3 1.91115730E-08-5.10590140E-12-7.93438940E+04-2.42610840E+01-7.71689336E+04 4 MgCL2(L) J12/65MG 1.CL 2. 0. 0.C 987.000 5000.000 1 1.10710480E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -7.62946180E+04-4.89725880E+01 1.10710480E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.62946180E+04-4.89725880E+01 0.00000000E+00 4 MgCL2 J12/69MG 1.CL 2. 0. 0.G 300.000 5000.000 1000. 1 7.24019130E+00 2.88562390E-04-1.24011870E-07 2.35271010E-11-1.64432050E-15 2 -4.94423260E+04-8.18090146E+00 5.40955290E+00 7.72062810E-03-1.16200940E-05 3 7.94178890E-09-2.02525020E-12-4.90705370E+04 6.47158084E-01-4.72024455E+04 4 MgF J 6/76MG 1.F 1. 0. 0.G 300.000 5000.000 1000. 1 4.19221190E+00 4.03626440E-04-1.50976310E-07 2.81692210E-11-1.82758920E-15 2 -2.98137100E+04 2.43696211E+00 2.65707520E+00 6.68261350E-03-1.03311560E-05 3 7.68717660E-09-2.22450570E-12-2.94948900E+04 9.85508041E+00-2.84827958E+04 4 MgF+ J12/75MG 1.F 1.E -1. 0.G 300.000 5000.000 1000. 1 4.36810570E+00 4.11759660E-03-2.93947970E-06 7.27118430E-10-5.98448020E-14 2 5.95360000E+04-1.34577794E+00 3.43876540E+00 2.22526540E-03-5.46212020E-06 3 1.40842760E-08-8.07269060E-12 6.05156660E+04 5.77835456E+00 6.16156042E+04 4 MgF2(s) J 6/75MG 1.F 2. 0. 0.C 300.000 1536.000 1000. 1 -2.10224270E+00 3.50242280E-02-3.97498930E-05 2.04618590E-08-3.95344100E-12 2 -1.35393080E+05 1.10445550E+01 1.60361100E+00 3.17944860E-02-5.26857980E-05 3 4.15877060E-08-1.26194950E-11-1.36720340E+05-9.73231710E+00-1.35218306E+05 4 MgF2(L) J 6/75MG 1.F 2. 0. 0.C 1536.000 5000.000 1 1.14167670E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.34084100E+05-5.74250690E+01 1.14167670E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.34084100E+05-5.74250690E+01 0.00000000E+00 4 MgF2 J 6/75MG 1.F 2. 0. 0.G 300.000 5000.000 1000. 1 6.36420730E+00 7.26278270E-04-3.22800460E-07 6.33636660E-11-4.57384370E-15 2 -8.94644290E+04-5.91513079E+00 3.34790580E+00 1.31152970E-02-2.05416070E-05 3 1.53957840E-08-4.49090410E-12-8.88388740E+04 8.65190211E+00-8.74109410E+04 4 MgF2+ J12/75MG 1.F 2.E -1. 0.G 300.000 5000.000 1000. 1 6.89106730E+00 7.17812830E-04-3.29411720E-07 6.58811280E-11-4.58732280E-15 2 6.89931450E+04-8.71301395E+00 3.52128840E+00 1.52695560E-02-2.51800890E-05 3 1.96354990E-08-5.90549190E-12 6.96583880E+04 7.39020945E+00 7.12004950E+04 4 MgH J12/66MG 1.H 1. 0. 0.G 300.000 5000.000 1000. 1 3.46385910E+00 1.24040550E-03-5.02782100E-07 9.81188340E-11-6.61830680E-15 2 1.91763100E+04 2.99775186E+00 3.51023970E+00-1.23683520E-03 6.42469980E-06 3 -6.60548460E-09 2.20036250E-12 1.92938930E+04 3.37365416E+00 2.03302445E+04 4 MgI J12/74MG 1.I 1. 0. 0.G 200.000 6000.000 1000. 1 4.41245599E+00 1.78910914E-04-5.22986679E-08 9.68713486E-12-4.67113786E-16 2 1.62581907E+03 5.16451018E+00 3.39596606E+00 6.11494866E-03-1.31544146E-05 3 1.27259311E-08-4.53414297E-12 1.76933628E+03 9.69586508E+00 2.96042364E+03 4 MgI2(s) J12/74MG 1.I 2. 0. 0.C 300.000 907.000 907. 1 6.70171590E+00 1.16970220E-02-1.68363080E-05 1.31438090E-08-4.00999570E-12 2 -4.65277610E+04-2.54320430E+01 6.70171590E+00 1.16970220E-02-1.68363080E-05 3 1.31438090E-08-4.00999570E-12-4.65277610E+04-2.54320430E+01-4.41344148E+04 4 MgI2(L) J12/74MG 1.I 2. 0. 0.C 907.000 5000.000 1000. 1 1.20775070E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.55256600E+04-5.18835260E+01 1.20775070E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.55256600E+04-5.18835260E+01 0.00000000E+00 4 MgI2 J12/74MG 1.I 2. 0. 0.G 300.000 5000.000 1000. 1 7.37111620E+00 1.49419540E-04-6.70677380E-08 1.32575590E-11-9.62005020E-16 2 -2.15119230E+04-3.93845663E+00 6.10814260E+00 6.14621180E-03-1.11665270E-05 3 9.32665250E-09-2.94871660E-12-2.12863230E+04 1.97126687E+00-1.92736169E+04 4 MgN J 3/64MG 1.N 1. 0. 0.G 300.000 5000.000 1000. 1 4.22144170E+00 3.64892400E-04-1.29957300E-07 2.44189400E-11-1.69177590E-15 2 3.33829310E+04 2.73205196E+00 2.88945490E+00 5.17571750E-03-6.58490160E-06 3 3.72189330E-09-7.23059640E-13 3.36810580E+04 9.29758946E+00 3.47214301E+04 4 MgO(s) J12/74MG 1.O 1. 0. 0.C 300.000 3105.000 1000. 1 5.04486810E+00 1.68982010E-03-7.56176950E-07 2.02868930E-10-2.05912710E-14 2 -7.40292850E+04-2.63288920E+01-4.54039530E-01 2.78732690E-02-4.90622470E-05 3 4.04741510E-08-1.26703440E-11-7.30579480E+04-6.35520200E-01-7.23138995E+04 4 MgO(L) J12/74MG 1.O 1. 0. 0.C 3105.000 5000.000 1000. 1 8.05167150E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -6.98794510E+04-4.43438250E+01 8.05167150E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-6.98794510E+04-4.43438250E+01 0.00000000E+00 4 MgO J12/74MG 1.O 1. 0. 0.G 300.000 5000.000 1000. 1 7.94944280E+00-1.26407550E-03-2.40097300E-07 1.62732770E-10-1.76119090E-14 2 3.49443840E+03-2.18011730E+01 5.33534970E+00-1.33391340E-02 3.56675260E-05 3 -2.60574710E-08 4.98411960E-12 5.73155730E+03-2.13277681E+00 6.99538853E+03 4 MgOH J12/75MG 1.O 1.H 1. 0.G 300.000 5000.000 1000. 1 5.26714240E+00 1.67827200E-03-5.43091730E-07 8.25633490E-11-4.71335130E-15 2 -2.15093360E+04-3.39516556E+00 1.76243570E+00 1.91670050E-02-3.32193180E-05 3 2.71589780E-08-8.38892750E-12-2.09491820E+04 1.27344525E+01-1.98155784E+04 4 MgOH+ J12/75MG 1.O 1.H 1.E -1.G 300.000 5000.000 1000. 1 5.28244790E+00 1.66404370E-03-5.40166510E-07 8.34678240E-11-5.00361680E-15 2 6.85958160E+04-4.15038863E+00 1.78314210E+00 1.92285270E-02-3.35031430E-05 3 2.74913640E-08-8.51510070E-12 6.91505840E+04 1.19305236E+01 7.02911854E+04 4 MgO2H2(s) J12/75MG 1.O 2.H 2. 0.C 300.000 1000.000 1000. 1 -4.16642480E+00 7.68449870E-02-1.37207670E-04 1.14268590E-07-3.59258370E-11 2 -1.12384340E+05 1.35926370E+01-4.16642480E+00 7.68449870E-02-1.37207670E-04 3 1.14268590E-07-3.59258370E-11-1.12384340E+05 1.35926370E+01-1.11214407E+05 4 MgO2H2 J12/75MG 1.O 2.H 2. 0.G 300.000 5000.000 1000. 1 8.51783840E+00 3.37913800E-03-1.10220330E-06 1.71111790E-10-1.03022860E-14 2 -7.16267310E+04-1.76294649E+01 1.54947500E+00 3.82704800E-02-6.65093280E-05 3 5.45362940E-08-1.68913380E-11-7.05167540E+04 1.44170361E+01-6.88415815E+04 4 MgS(s) J 9/77MG 1.S 1. 0. 0.C 300.000 3000.000 1000. 1 5.35012290E+00 1.34336550E-03-6.29050000E-07 1.98198580E-10-2.25916480E-14 2 -4.32385480E+04-2.48378310E+01 4.09728770E+00 6.92978580E-03-9.20292860E-06 3 5.63293350E-09-1.21703300E-12-4.30407590E+04-1.89960010E+01-4.15818955E+04 4 MgS J 9/77MG 1.S 1. 0. 0.G 300.000 5000.000 1000. 1 1.03585650E+01-5.53070850E-03 2.09511990E-06-3.52248380E-10 2.22827360E-14 2 1.33293460E+04-3.31905223E+01 7.80892150E+00-3.24935950E-02 9.25172570E-05 3 -9.09652030E-08 2.97256310E-11 1.59322900E+04-1.10479053E+01 1.74679365E+04 4 MgSO4(s) L 7/76MG 1.S 1.O 4. 0.C 300.000 1400.000 1000. 1 -6.44769200E+01 2.63753170E-01-3.24918840E-04 1.82572340E-07-3.86907670E-11 2 -1.40661070E+05 3.21883890E+02 2.15340590E+00 4.87565320E-02-7.36650300E-05 3 5.94277870E-08-1.84337080E-11-1.56809620E+05-1.30284440E+01-1.54542596E+05 4 MgSO4(L) L 7/76MG 1.S 1.O 4. 0.C 1400.000 5000.000 1 1.91227200E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.60928760E+05-1.01804650E+02 1.91227200E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.60928760E+05-1.01804650E+02 0.00000000E+00 4 MgSiO3(I) J12/67MG 1.SI 1.O 3. 0.C 300.000 903.000 903. 1 1.33777790E+00 4.44532220E-02-6.59737530E-05 4.74142570E-08-1.23310980E-11 2 -1.88172260E+05-1.01789360E+01 1.33777790E+00 4.44532220E-02-6.59737530E-05 3 4.74142570E-08-1.23310980E-11-1.88172260E+05-1.01789360E+01-1.86292592E+05 4 MgSiO3(II) J12/67MG 1.SI 1.O 3. 0.C 903.000 1258.000 1000. 1 1.44738860E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.91621720E+05-7.66594640E+01 1.44738860E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.91621720E+05-7.66594640E+01 0.00000000E+00 4 MgSiO3(III) J12/67MG 1.SI 1.O 3. 0.C 1258.000 1850.000 1 1.47255010E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.91741990E+05-7.82992980E+01 1.47255010E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.91741990E+05-7.82992980E+01 0.00000000E+00 4 MgSiO3(L) J12/67MG 1.SI 1.O 3. 0.C 1850.000 5000.000 1 1.76130310E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.88025790E+05-9.51257310E+01 1.76130310E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.88025790E+05-9.51257310E+01 0.00000000E+00 4 MgTiO3(s) J 6/67MG 1.TI 1.O 3. 0.C 300.000 1953.000 1000. 1 1.02882240E+01 1.03437300E-02-7.40121790E-06 2.79288240E-09-3.95324480E-13 2 -1.92811680E+05-5.29580880E+01-1.57777430E-01 6.20183970E-02-1.04805960E-04 3 8.49409250E-08-2.63672950E-11-1.91077380E+05-4.66165350E+00-1.89138441E+05 4 MgTiO3(L) J 6/67MG 1.TI 1.O 3. 0.C 1953.000 5000.000 1 1.96259490E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.90918120E+05-1.06562040E+02 1.96259490E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.90918120E+05-1.06562040E+02 0.00000000E+00 4 MgTi2O5(s) J 6/67MG 1.TI 2.O 5. 0.C 300.000 1963.000 1000. 1 1.67766080E+01 1.22377910E-02-6.30131600E-06 2.40194880E-09-3.54129300E-13 2 -3.07546550E+05-8.32933900E+01 1.27163110E+00 9.26637940E-02-1.63695020E-04 3 1.39033730E-07-4.45132320E-11-3.05116130E+05-1.24221020E+01-3.01810872E+05 4 MgTi2O5(L) J 6/67MG 1.TI 2.O 5. 0.C 1963.000 5000.000 1 3.14015190E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.04100010E+05-1.68586490E+02 3.14015190E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-3.04100010E+05-1.68586490E+02 0.00000000E+00 4 Mg2 J 9/83MG 2. 0. 0. 0.G 200.000 6000.000 1000. 1 1.55499308E+00 3.13771932E-03-3.15497401E-06 1.11815199E-09-1.08539001E-13 2 3.41094885E+04 1.94547704E+01 5.66548917E+00-1.81207983E-02 4.05706233E-05 3 -4.00720091E-08 1.45040463E-11 3.34280753E+04 5.33095711E-01 3.45979248E+04 4 Mg2F4 J12/75MG 2.F 4. 0. 0.G 300.000 5000.000 1000. 1 1.46720160E+01 1.52993180E-03-6.83471170E-07 1.34604690E-10-9.73833980E-15 2 -2.11437660E+05-4.42782440E+01 4.22990530E+00 4.92908490E-02-8.64496720E-05 3 7.04593710E-08-2.18871100E-11-2.09492990E+05 5.00323615E+00-2.06675889E+05 4 Mg2SiO4(s) J12/67MG 2.SI 1.O 4. 0.C 300.000 2171.000 1000. 1 1.57526790E+01 6.80046500E-03-1.62039510E-06 7.73681120E-12 6.33375730E-14 2 -2.67299550E+05-8.14579920E+01 1.34289820E+00 6.68665880E-02-9.64456250E-05 3 6.64239600E-08-1.71839900E-11-2.64469010E+05-1.23991620E+01-2.61825552E+05 4 Mg2SiO4(L) J12/67MG 2.SI 1.O 4. 0.C 2171.000 5000.000 1 2.46582440E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.66925490E+05-1.34615100E+02 2.46582440E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.66925490E+05-1.34615100E+02 0.00000000E+00 4 Mg2TiO4(s) J 6/67MG 2.TI 1.O 4. 0.C 300.000 2013.000 1000. 1 1.47725770E+01 1.08241470E-02-4.99075600E-06 1.74079440E-09-2.53981950E-13 2 -2.65390780E+05-7.39337100E+01-5.04411560E-02 8.80864240E-02-1.56837890E-04 3 1.34018470E-07-4.31237870E-11-2.63078650E+05-6.25375070E+00-2.60319690E+05 4 Mg2TiO4(L) J 6/67MG 2.TI 1.O 4. 0.C 2013.000 5000.000 1 2.74763290E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.61535590E+05-1.47458370E+02 2.74763290E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.61535590E+05-1.47458370E+02 0.00000000E+00 4 MnO (S) B /89MN 1O 1 0 0S 298.150 2115.000 1000. 1 1.35627103E+01-2.23122322E-02 2.45011706E-05-1.09793320E-08 1.74986515E-12 2 -5.02522690E+04-6.60188273E+01 2.56643455E+00 1.55785511E-02-2.79738618E-05 3 2.42198962E-08-7.86883817E-12-4.75857738E+04-1.10409128E+01-4.63311729E+04 4 MnO (L) B /89MN 1O 1 0 0L 2115.000 2500.000 1 -2.63748329E+01 5.81346781E-02-3.75984688E-05 1.07961809E-08-1.16134596E-12 2 -2.88800210E+04 1.56912584E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-4.63311729E+04 4 MnO2(S) B /89MN 1O 2 0 0S 298.150 800.000 800. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-4.79951256E+00 7.20358836E-02-1.55128177E-04 3 1.55651945E-07-5.93342269E-11-6.32245896E+04 1.78855218E+01-6.25447561E+04 4 Mn2O3 (S) B /89MN 2O 3 0 0S 298.150 1400.000 1000. 1 4.13175143E+00 2.94925699E-02-2.97408107E-05 1.57530821E-08-3.14027515E-12 2 -1.17345192E+05-1.71563396E+01 3.73625576E+00 4.53603719E-02-7.84795848E-05 3 6.79682080E-08-2.20889333E-11-1.17901390E+05-1.85906447E+01-1.15340772E+05 4 Mn3O4 SoliE-A B /89MN 3O 4 0 0S 298.150 1445.000 1000. 1 9.24690980E+00 3.03097632E-02-2.77876351E-05 1.42175100E-08-2.74343370E-12 2 -1.70540047E+05-4.13240828E+01 5.30992963E+00 6.45031044E-02-1.12103682E-04 3 9.70819405E-08-3.15481785E-11-1.70549547E+05-2.65839957E+01-1.66912903E+05 4 Mn3O4 SoliE-B B /89MN 3O 4 0 0S 1445.000 1835.000 1 2.18396178E+01 8.24501377E-03-7.43602439E-06 2.97586871E-09-4.45964303E-13 2 -1.74631781E+05-1.12000838E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.66912903E+05 4 Mn5N2(S) B /89MN 5N 2 0 0S 298.150 800.000 800. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.53753139E+01 1.93066443E-02 5.09039170E-08 3 -6.55123649E-11 3.04082415E-14-3.00020762E+04-7.08162751E+01-2.45594749E+04 4 MnS Solid B /89MN 1S 1 0 0S 298.150 1803.000 1000. 1 5.73936431E+00 9.01938576E-04 3.02740651E-11 1.69143122E-12-5.47133193E-16 2 -2.75139333E+04-2.35653794E+01 5.73590949E+00 9.12003512E-04-1.77463767E-08 3 2.06928531E-11-8.38201915E-15-2.75127688E+04-2.35470661E+01-2.57621916E+04 4 MnS Liquid B /89MN 1S 1 0 0L 1803.000 2200.000 1 7.36336543E+00 1.36969500E-03-1.02073380E-06 3.37546304E-10-4.17948179E-14 2 -2.67980686E+04-3.37306895E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.57621916E+04 4 MnS2 (S) B /89MN 1S 2 0 0S 298.150 700.000 700. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 4.48568512E+00 2.44442175E-02-5.26856546E-05 3 5.76754423E-08-2.41568621E-11-2.89830667E+04-1.89489535E+01-2.69220916E+04 4 Mo(cr) J 3/78MO 1 0 0 0S 200.000 2896.000 1000. 1 5.38432823E+00-6.01622180E-03 6.01482526E-06-2.32962338E-09 3.52007808E-13 2 -1.62657220E+03-2.62488891E+01 1.32884141E+00 9.82553689E-03-2.10929825E-05 3 2.09509528E-08-7.60703244E-12-6.84364789E+02-6.29286538E+00 0.00000000E+00 4 Mo(L) J 3/78MO 1 0 0 0L 2896.000 6000.000 1 4.52894999E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.02140667E+03-2.28074752E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 MoC SoliE-C B /89C 1MO 1 0 0S 298.150 1400.000 1000. 1 1.95688580E+00 7.45582204E-03-4.92462131E-06 1.16731721E-09 5.69099576E-14 2 -4.30569462E+03-8.78043176E+00 1.75407212E+00 8.17609975E-03-5.89254003E-06 3 1.74969447E-09-7.50126171E-14-4.25959002E+03-7.77690797E+00-3.42184927E+03 4 MoO2 Solid B /89MO 1O 2 0 0S 298.150 2000.000 1000. 1 5.57003335E+00 7.01737124E-03-4.11649672E-06 1.48282458E-09-1.41613677E-13 2 -7.28178014E+04-2.82261435E+01 6.56226971E-01 3.36489565E-02-5.76641545E-05 3 4.88255458E-08-1.56544560E-11-7.21036803E+04-6.04322444E+00-7.08327971E+04 4 MoO2 B /89MO 1O 2 0 0G 298.150 3000.000 1000. 1 4.14494627E+00 7.05834738E-04-5.16986528E-07 1.86466769E-10-2.22683845E-14 2 -2.29247521E+03 6.46991922E+00 2.90286012E+00 6.65546290E-03-1.14989921E-05 3 9.33240931E-09-2.89374741E-12-2.07672445E+03 1.22605433E+01-9.99938661E+02 4 Mo2C(S) B /89MO 2C 1 0 0S 298.150 1400.000 1000. 1 2.63292301E+00 1.91409016E-02-1.95825211E-05 8.67987123E-09-1.10539752E-12 2 -7.76509118E+03-1.17561621E+01 2.42024100E+00 2.50702462E-02-3.73749151E-05 3 2.75982039E-08-7.94799883E-12-7.94734639E+03-1.19156150E+01-6.39087571E+03 4 N L 6/88N 1 0 0 0G 200.000 6000.000 1000. 1 0.24159429E+01 0.17489065E-03-0.11902369E-06 0.30226244E-10-0.20360983E-14 2 0.56133775E+05 0.46496095E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.56104638E+05 0.41939088E+01 0.56850013E+05 4 ND g 4/01N 1.D 1. 0. 0.G 200.000 6000.000 1000. 1 2.92141593E+00 1.46824830E-03-5.06132450E-07 8.16389936E-11-4.88173770E-15 2 4.18711786E+04 5.51040842E+00 3.53318513E+00-1.16333934E-04-5.33442392E-07 3 2.54879097E-09-1.47191074E-12 4.17374216E+04 2.42706696E+00 4.27852991E+04 4 NHD A 1/05N 1.H 1.D 1. 0.G 200.000 6000.000 1000. 1 2.99345271E+00 3.20175498E-03-1.05832428E-06 1.69569103E-10-1.03556752E-14 2 2.04055247E+04 6.78901866E+00 4.24787376E+00-2.74853399E-03 9.03939336E-06 3 -7.36770381E-09 2.12506752E-12 2.02175759E+04 1.00378371E+00 2.14282213E+04 4 ND2 g 4/01N 1.D 2. 0. 0.G 200.000 6000.000 1000. 1 3.39344029E+00 3.09430279E-03-1.07944873E-06 1.82615632E-10-1.16377076E-14 2 2.06724522E+04 4.23145961E+00 4.08174416E+00-1.72293187E-03 8.47237526E-06 3 -7.55764433E-09 2.30572906E-12 2.06804160E+04 1.51889257E+00 2.18818150E+04 4 ND2H A12/04N 1.D 2.H 1. 0.G 200.000 6000.000 1000. 1 2.86769974E+00 6.12085160E-03-2.14513316E-06 3.40381895E-10-2.01260754E-14 2 -7.55372452E+03 6.89502363E+00 4.27750279E+00-4.94603206E-03 2.36611000E-05 3 -2.44173647E-08 8.58846789E-12-7.56444563E+03 1.42064991E+00-6.34409833E+03 4 ND3 g 4/01N 1.D 3. 0. 0.G 200.000 6000.000 1000. 1 3.74049272E+00 5.66468659E-03-1.95157691E-06 2.98615230E-10-1.71464955E-14 2 -8.10768376E+03 1.17487971E+00 3.79962127E+00-1.34158180E-03 1.95137187E-05 3 -2.28145952E-08 8.57790808E-12-7.75948499E+03 2.59569454E+00-6.55489091E+03 4 NF RUS 89N 1F 1 0 0G 200.000 6000.000 1000. 1 4.06042292E+00 3.50654850E-04-6.95721815E-08 1.45925454E-11-1.56372401E-15 2 2.66711982E+04 2.08774805E+00 3.59927999E+00-2.18190788E-03 1.14106853E-05 3 -1.40068494E-08 5.53332638E-12 2.69702525E+04 5.35573603E+00 2.80221438E+04 4 NF2 L 5/95N 1F 2 0 0G 200.000 6000.000 1000. 1 0.58364792E+01 0.12115300E-02-0.46827522E-06 0.79997253E-10-0.49773112E-14 2 0.21075383E+04-0.41367038E+01 0.30383609E+01 0.66254958E-02 0.16160965E-05 3 -0.98870122E-08 0.52618129E-11 0.29422774E+04 0.10741500E+02 0.41398711E+04 4 NF3 L 5/95N 1F 3 0 0G 200.000 6000.000 1000. 1 0.80969263E+01 0.22248772E-02-0.73845724E-06 0.13242062E-09-0.82140433E-14 2 -0.18767390E+05-0.16378386E+02 0.13184910E+01 0.23460985E-01-0.23520025E-04 3 0.82591366E-08 0.18896563E-12-0.17084267E+05 0.17841863E+02-0.15839779E+05 4 NH L11/89N 1H 1 0 0G 200.000 6000.000 1000. 1 0.27836929E+01 0.13298429E-02-0.42478047E-06 0.78348504E-10-0.55044470E-14 2 0.42134514E+05 0.57407798E+01 0.34929084E+01 0.31179197E-03-0.14890484E-05 3 0.24816442E-08-0.10356967E-11 0.41894294E+05 0.18483277E+01 0.42940822E+05 4 NH+ L 2/89N 1H 1E -1 0G 298.150 6000.000 1000. 1 2.95918980E+00 1.34991719E-03-4.61487782E-07 8.26977666E-11-5.55758913E-15 2 1.99524505E+05 5.59978021E+00 4.61611136E+00-3.13435677E-03 2.91705130E-06 3 2.57384848E-10-7.31431347E-13 1.99085043E+05-2.92758460E+00 2.00347960E+05 4 NHF RUS 89N 1H 1F 1 0G 200.000 6000.000 1000. 1 0.38957856E+01 0.26972954E-02-0.96413416E-06 0.15656481E-09-0.93275479E-14 2 0.12097631E+05 0.45781245E+01 0.41481642E+01-0.33379936E-02 0.17632209E-04 3 -0.20570502E-07 0.79043064E-11 0.12263155E+05 0.45024858E+01 0.13470427E+05 4 NHF2 RUS 89N 1H 1F 2 0G 200.000 6000.000 1000. 1 0.56498758E+01 0.39393919E-02-0.14331458E-05 0.23343765E-09-0.14065134E-13 2 -0.14562287E+05-0.36451783E+01 0.33212629E+01 0.35048001E-02 0.16269284E-04 3 -0.25711192E-07 0.10991340E-10-0.13632111E+05 0.99205457E+01-0.12387982E+05 4 NH2 AMIDOGEN RAD IU3/03N 1.H 2. 0. 0.G 200.000 3000.000 1000. 1 2.59263049E+00 3.47683597E-03-1.08271624E-06 1.49342558E-10-5.75241187E-15 2 2.18865421E+04 7.90565351E+00 4.19198016E+00-2.04602827E-03 6.67756134E-06 3 -5.24907235E-09 1.55589948E-12 2.14991387E+04-9.04785244E-02 2.27072912E+04 4 NH2D A12/04N 1.H 2.D 1. 0.G 200.000 6000.000 1000. 1 2.46696436E+00 6.15154392E-03-2.08150811E-06 3.22155216E-10-1.87071378E-14 2 -6.87576021E+03 8.88442382E+00 4.42403751E+00-5.80703730E-03 2.35306405E-05 3 -2.33891265E-08 8.08193402E-12-7.08323343E+03 3.96548654E-01-5.85682560E+03 4 NH2F RUS 89N 1H 2F 1 0G 200.000 6000.000 1000. 1 0.34379333E+01 0.56345867E-02-0.19763269E-05 0.31384602E-09-0.18569992E-13 2 -0.10454484E+05 0.60423912E+01 0.44307579E+01-0.70044845E-02 0.32429410E-04 3 -0.35524163E-07 0.13059948E-10-0.10252553E+05 0.32967779E+01-0.90203752E+04 4 NH3 Amonia A12/04H 3.N 1. 0. 0.G 200.000 6000.000 1000. 1 2.09566674E+00 6.14750045E-03-2.00328925E-06 3.01334626E-10-1.71227204E-14 2 -6.30945436E+03 9.59574081E+00 4.46075151E+00-5.68781763E-03 2.11411484E-05 3 -2.02849980E-08 6.89500555E-12-6.70753514E+03-1.34450793E+00-5.48041917E+03 4 NH2OH RUS 78N 1H 3O 1 0G 200.000 6000.000 1000. 1 0.38808544E+01 0.81574618E-02-0.28263348E-05 0.43796511E-09-0.25274751E-13 2 -0.75876998E+04 0.37931250E+01 0.32101336E+01 0.61970334E-02 0.11058271E-04 3 -0.19665010E-07 0.88242437E-11-0.73091267E+04 0.79330377E+01-0.60135835E+04 4 NH4+ RUS 78N 1H 4E -1 0G 298.150 6000.000 1000. 1 0.13156479E+01 0.96493541E-02-0.32905419E-05 0.51205492E-09-0.29850594E-13 2 0.76727757E+05 0.12093408E+02 0.50221425E+01-0.11710230E-01 0.39760767E-04 3 -0.36942723E-07 0.12026708E-10 0.76303001E+05-0.42054342E+01 0.77563825E+05 4 NH4CLO4(I) J12/62N 1H 4CL 1O 4S 200.000 513.150 513.15 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 6.35703886E+00 4.13638533E-02-5.92805489E-05 3 8.96504531E-08-4.96854073E-11-3.89362027E+04-2.44599186E+01-3.55723861E+04 4 NH4CLO4(II) J12/62N 1H 4CL 1O 4S 513.150 1500.000 1000. 1 1.55208289E+02-1.85584191E-01 7.02879745E-05 0.00000000E+00 0.00000000E+00 2 -1.10827457E+05-8.51152444E+02 2.57678288E+03-1.79847751E+01 4.36807324E-02 3 -4.44267613E-05 1.61939332E-08-3.01717712E+05-1.08243913E+04-3.55723861E+04 4 NO RUS 89N 1O 1 0 0G 200.000 6000.000 1000. 1 3.26071234E+00 1.19101135E-03-4.29122646E-07 6.94481463E-11-4.03295681E-15 2 9.92143132E+03 6.36900518E+00 4.21859896E+00-4.63988124E-03 1.10443049E-05 3 -9.34055507E-09 2.80554874E-12 9.84509964E+03 2.28061001E+00 1.09770882E+04 4 NO+ RUS 89N 1O 1E -1 0G 298.150 6000.000 1000. 1 2.94587702E+00 1.40325260E-03-4.95503196E-07 7.95948973E-11-4.72076668E-15 2 1.18244340E+05 6.70644634E+00 3.69301231E+00-1.34229158E-03 2.67343395E-06 3 -1.02609308E-09-6.95610492E-14 1.18103055E+05 3.09126691E+00 1.19166025E+05 4 NOCL L 5/95N 1O 1CL 1 0G 200.000 6000.000 1000. 1 0.61799190E+01 0.28500775E-03 0.17276529E-06-0.30166754E-10 0.90192767E-15 2 0.56327606E+04-0.43234813E+01 0.32325533E+01 0.11886435E-01-0.21070873E-04 3 0.19552938E-07-0.69926270E-11 0.63635546E+04 0.10277271E+02 0.77048343E+04 4 NOF L 5/95N 1O 1F 1 0G 200.000 6000.000 1000. 1 0.52530781E+01 0.19000792E-02-0.75667187E-06 0.15514137E-09-0.10897571E-13 2 -0.96262527E+04-0.98536249E+00 0.28886971E+01 0.10359580E-01-0.13880734E-04 3 0.10416535E-07-0.32433490E-11-0.90357928E+04 0.10837381E+02-0.78176585E+04 4 NOF3 RUS 89N 1O 1F 3 0G 200.000 6000.000 1000. 1 0.10122162E+02 0.29210198E-02-0.11381315E-05 0.19369199E-09-0.12021234E-13 2 -0.26123657E+05-0.26256953E+02-0.15692449E+00 0.44229130E-01-0.68789152E-04 3 0.52715545E-07-0.15911878E-10-0.23898778E+05 0.23733541E+02-0.22490802E+05 4 NO2 L 7/88N 1O 2 0 0G 200.000 6000.000 1000. 1 0.48847540E+01 0.21723955E-02-0.82806909E-06 0.15747510E-09-0.10510895E-13 2 0.23164982E+04-0.11741695E+00 0.39440312E+01-0.15854290E-02 0.16657812E-04 3 -0.20475426E-07 0.78350564E-11 0.28966180E+04 0.63119919E+01 0.41124701E+04 4 NO2- RUS 89N 1O 2E 1 0G 298.150 6000.000 1000. 1 0.50533023E+01 0.20755476E-02-0.87000155E-06 0.16107454E-09-0.10344873E-13 2 -0.25904369E+05-0.15407134E+01 0.30978573E+01 0.37047376E-02 0.59296511E-05 3 -0.10949983E-07 0.46273153E-11-0.25179837E+05 0.94822771E+01-0.24058613E+05 4 NO2CL L 5/95N 1O 2CL 1 0G 200.000 6000.000 1000. 1 0.73973930E+01 0.26288293E-02-0.10108361E-05 0.17126196E-09-0.10596506E-13 2 -0.11593163E+04-0.10963487E+02 0.23950579E+01 0.19208111E-01-0.23484888E-04 3 0.15177254E-07-0.41194825E-11 0.11500810E+03 0.14274389E+02 0.15033959E+04 4 NO2F L 5/95N 1O 2F 1 0G 200.000 6000.000 1000. 1 0.70399495E+01 0.29695800E-02-0.11442077E-05 0.19364501E-09-0.11972566E-13 2 -0.15731594E+05-0.10688099E+02 0.18781432E+01 0.17625040E-01-0.15399750E-04 3 0.47606145E-08 0.18294737E-12-0.14326397E+05 0.15869654E+02-0.13109612E+05 4 NO3 J12/64N 1O 3 0 0G 200.000 6000.000 1000. 1 7.48347734E+00 2.57772041E-03-1.00945831E-06 1.72314072E-10-1.07154015E-14 2 5.70919428E+03-1.41618155E+01 2.17359310E+00 1.04902697E-02 1.10472650E-05 3 -2.81561854E-08 1.36583958E-11 7.39219877E+03 1.46022098E+01 8.55492386E+03 4 NO3- RUS 89N 1O 3E 1 0G 298.150 6000.000 1000. 1 6.88404739E+00 3.16062982E-03-1.23048782E-06 2.09257989E-10-1.29795471E-14 2 -4.00548152E+04-1.17087097E+01 1.21258521E+00 1.71545193E-02-1.05270457E-05 3 -1.16074097E-09 2.33114998E-12-3.84077713E+04 1.79933865E+01-3.73779731E+04 4 NO3F RUS 89N 1O 3F 1 0G 200.000 5000.000 1000. 1 0.98118818E+01 0.35639389E-02-0.15419861E-05 0.27634191E-09-0.17658973E-13 2 -0.18356434E+04-0.22945174E+02 0.23251747E+01 0.26601706E-01-0.29142030E-04 3 0.15590927E-07-0.32832597E-11 0.15666889E+03 0.15244961E+02 0.18040750E+04 4 N2 REF ELEMENT G 8/02N 2. 0. 0. 0.G 200.000 6000.000 1000. 1 2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15 2 -9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07 3 2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00 0.00000000E+00 4 N2D2,cis g 6/01N 2.D 2. 0. 0.G 200.000 6000.000 1000. 1 4.51455406E+00 5.18901136E-03-1.93684182E-06 3.20575724E-10-1.95208436E-14 2 2.25118040E+04-9.52667764E-01 3.87335926E+00-2.62328993E-03 2.63075876E-05 3 -3.13008811E-08 1.18110027E-11 2.31835992E+04 4.74949032E+00 2.43979898E+04 4 N2F2 RUS 89N 2F 2 0 0G 200.000 6000.000 1000. 1 0.79266250E+01 0.21002389E-02-0.81722252E-06 0.13894835E-09-0.86178747E-14 2 0.47212571E+04-0.14265182E+02 0.26944269E+01 0.19996317E-01-0.25239401E-04 3 0.15967248E-07-0.40786186E-11 0.60030677E+04 0.11933973E+02 0.75018251E+04 4 N2F4 RUS 89N 2F 4 0 0G 200.000 6000.000 1000. 1 0.13251312E+02 0.28400333E-02-0.11179520E-05 0.19147494E-09-0.11934318E-13 2 -0.73226616E+04-0.39550630E+02 0.13352845E+01 0.47397540E-01-0.66795981E-04 3 0.45073083E-07-0.11856992E-10-0.46441011E+04 0.19044610E+02-0.26459767E+04 4 N2H T07/93N 2H 1 0 0G 200.000 6000.000 1000. 1 0.37667545E+01 0.28915081E-02-0.10416620E-05 0.16842594E-09-0.10091896E-13 2 0.28650697E+05 0.44705068E+01 0.43446927E+01-0.48497072E-02 0.20059459E-04 3 -0.21726464E-07 0.79469538E-11 0.28791973E+05 0.29779411E+01 0.30009829E+05 4 N2H2 L 5/90N 2H 2 0 0G 200.000 6000.000 1000. 1 0.13111509E+01 0.90018727E-02-0.31491187E-05 0.48144969E-09-0.27189798E-13 2 0.24786417E+05 0.16409109E+02 0.49106602E+01-0.10779187E-01 0.38651644E-04 3 -0.38650163E-07 0.13485210E-10 0.24224273E+05 0.91027970E-01 0.25480756E+05 4 NH2NO2 NITRAMIDE T10/99H 2N 2O 2 0G 200.000 6000.000 1000. 1 7.73743619E+00 7.14052586E-03-2.51282392E-06 3.99637625E-10-2.36573378E-14 2 -3.51433007E+03-1.49368357E+01 1.65916283E+00 2.08441985E-02-7.27880677E-06 3 -8.06033366E-09 5.57689747E-12-1.70435024E+03 1.71495596E+01-3.60815009E+02 4 N2H3 Hydrazin R A09/04H 3.N 2. 0. 0.G 200.000 6000.000 1000. 1 4.04483566E+00 7.31130186E-03-2.47625799E-06 3.83733021E-10-2.23107573E-14 2 2.57670362E+04 2.88423392E+00 3.42125505E+00 1.34901590E-03 2.23459071E-05 3 -2.99727732E-08 1.20978970E-11 2.62627897E+04 7.83176309E+00 2.74867007E+04 4 N2H4(L) Hydrazin J12/65N 2H 4 0 0L 200.000 800.000 800. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.20310475E+01-1.58854987E-02 7.53502039E-05 3 -9.15945394E-08 4.07674892E-11 2.67428635E+03-5.18137624E+01 6.05923187E+03 4 N2H4 HYDRAZINE L 5/90N 2H 4 0 0G 200.000 6000.000 1000. 1 4.93957357E+00 8.75017187E-03-2.99399058E-06 4.67278418E-10-2.73068599E-14 2 9.28265548E+03-2.69439772E+00 3.83472149E+00-6.49129555E-04 3.76848463E-05 3 -5.00709182E-08 2.03362064E-11 1.00893925E+04 5.75272030E+00 1.14474575E+04 4 NH4NO3(IV) tpis89N 2.H 4.O 3. 0.C 256.200 298.150 298.15 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-1.29547150E+02 1.81866355E+00-8.94421296E-03 3 2.02563499E-05-1.74314429E-08-3.89655352E+04 4.67032673E+02-4.39713224E+04 4 NH4NO3(IV) G10/02N 2.H 4.O 3. 0.C 298.150 305.380 305.38 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 5.86564933E+00 3.64302887E-02 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.73393723E+04-2.61436244E+01-4.39713224E+04 4 NH4NO3(III) G10/02N 2.H 4.O 3. 0.C 305.380 357.250 357.25 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 7.23313821E+00 2.33327039E-02 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.69417938E+04-2.92985169E+01-4.39713224E+04 4 NH4NO3(II) G10/02N 2.H 4.O 3. 0.C 357.250 399.000 399. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 6.02320522E+01-1.76799354E-01 0.00000000E+00 3 4.52882972E-07 0.00000000E+00-5.47863351E+04-2.75780621E+02-4.39713224E+04 4 NH4NO3(I) G10/02N 2.H 4.O 3. 0.C 399.000 442.850 442.85 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.29532588E+01 1.56353170E-02 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.78370128E+04-5.84851082E+01-4.39713224E+04 4 NH4NO3(L) G10/02N 2.H 4.O 3. 0.C 442.850 900.000 900. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.93637388E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.84379330E+04-8.90300528E+01-4.39713224E+04 4 N2O L 7/88N 2O 1 0 0G 200.000 6000.000 1000. 1 0.48230729E+01 0.26270251E-02-0.95850872E-06 0.16000712E-09-0.97752302E-14 2 0.80734047E+04-0.22017208E+01 0.22571502E+01 0.11304728E-01-0.13671319E-04 3 0.96819803E-08-0.29307182E-11 0.87417746E+04 0.10757992E+02 0.98141682E+04 4 N2O+ J12/70N 2O 1E -1 0G 298.150 6000.000 1000. 1 0.55285660E+01 0.19596138E-02-0.75377712E-06 0.12704886E-09-0.78022397E-14 2 0.15842390E+06-0.44187923E+01 0.32869103E+01 0.74022215E-02-0.48666444E-05 3 0.73292750E-09 0.29823434E-12 0.15910253E+06 0.74013737E+01 0.16037012E+06 4 N2O3 L 4/90N 2O 3 0 0G 200.000 6000.000 1000. 1 9.08583845E+00 3.37756330E-03-1.31583890E-06 2.30762329E-10-1.47151267E-14 2 7.27160146E+03-1.55361904E+01 5.81083964E+00 1.43330962E-02-1.96208597E-05 3 1.73060735E-08-6.46553954E-12 8.19184453E+03 1.20461321E+00 1.04192062E+04 4 N2O4 RUS 89N 2O 4 0 0G 200.000 6000.000 1000. 1 1.15752899E+01 4.01616086E-03-1.57178323E-06 2.68274309E-10-1.66922019E-14 2 -2.92191226E+03-3.19488439E+01 3.02002308E+00 2.95904321E-02-3.01342458E-05 3 1.42360407E-08-2.44100049E-12-6.40040162E+02 1.18059606E+01 1.33632866E+03 4 N2O5 L 4/90N 2O 5 0 0G 200.000 6000.000 1000. 1 1.31108082E+01 4.87435791E-03-1.87548389E-06 3.16374121E-10-1.95926845E-14 2 -3.11634700E+03-3.46877692E+01 3.68767444E+00 3.92120798E-02-5.53770029E-05 3 4.20097833E-08-1.31260710E-11-8.30291184E+02 1.21967866E+01 1.59961321E+03 4 N3 L 7/88N 3 0 0 0G 200.000 6000.000 1000. 1 0.46410423E+01 0.27697073E-02-0.10492244E-05 0.17534989E-09-0.10748867E-13 2 0.50698450E+05-0.93977465E+00 0.28606338E+01 0.42487681E-02 0.51459781E-05 3 -0.10148208E-07 0.44189545E-11 0.51369210E+05 0.91159496E+01 0.52438448E+05 4 N3H L 7/88N 3H 1 0 0G 200.000 6000.000 1000. 1 0.51470168E+01 0.43055846E-02-0.15270346E-05 0.24629401E-09-0.14714317E-13 2 0.33428392E+05-0.22553714E+01 0.28851146E+01 0.94434034E-02-0.38791657E-05 3 -0.18940565E-08 0.16018507E-11 0.34117203E+05 0.97168511E+01 0.35359871E+05 4 NE REF ELEMENT L10/90NE 100 000 000 0G 200.000 6000.000 1000. 1 0.25000000E 01 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.74537500E 03 0.33553227E 01 0.25000000E 01 0.00000000 0.00000000 3 0.00000000 -0.74537498E 03 0.33553227E 01 0.00000000 0.00000000E+00 4 Ne+ L10/92NE 1E -1 0 0G 298.150 6000.000 1000. 1 2.90399557E+00-3.63794635E-04 1.31873359E-07-2.14209210E-11 1.28778499E-15 2 2.50143726E+05 2.56310321E+00 1.94106917E+00 4.40016552E-03-8.57047417E-06 3 6.99691689E-09-2.11573625E-12 2.50294275E+05 6.99178683E+00 2.51005687E+05 4 Ni(cr) J12/76NI 1 0 0 0S 200.000 631.000 631. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 3.92097614E+00-2.34184719E-02 1.34230145E-04 3 -2.75971639E-07 1.98530861E-10-8.62387206E+02-1.56856186E+01 0.00000000E+00 4 Ni(cr) J12/76NI 1. 0. 0. 0.S 631.000 1728.000 1000. 1 9.58208572E+00-1.78945122E-02 1.97185112E-05-9.11957952E-09 1.58728609E-12 2 -2.61782185E+03-4.74612393E+01 4.85484877E+02-2.30395380E+00 4.10622634E-03 3 -3.23350101E-06 9.49617381E-10-8.11709085E+04-2.25428960E+03 0.00000000E+00 4 Ni(L) J12/76NI 1 0 0 0L 1728.000 6000.000 1 4.67989094E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -3.22238346E+02-2.33517797E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 NiO SoliE-A B /89NI 1O 1 0 0S 298.150 525.000 525. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-1.57324752E+01 1.79860646E-01-5.57051845E-04 3 7.23393852E-07-2.80704261E-10-6.79031544E+02 5.95039043E+01-9.99938661E+02 4 NiO SoliE-B B /89NI 1O 1 0 0S 525.000 565.000 565. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-4.05614678E+00 2.02539491E-02 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.82561755E+02 2.29564525E+01-9.99938661E+02 4 NiO SoliE-C B /89NI 1O 1 0 0S 565.000 2228.000 1000. 1 8.54519666E+00-6.01462324E-03 5.06266530E-06-1.02231132E-09-5.77542484E-14 2 -3.39816451E+03-4.28164283E+01 5.32267831E+00 7.63070044E-03-1.69937025E-05 3 1.50561208E-08-4.50262391E-12-2.77681950E+03-2.74214599E+01-9.99938661E+02 4 NiO Liquid B /89NI 1O 1 0 0L 2228.000 2500.000 1 6.50276297E+00 4.91821956E-05-2.06203183E-08 2.87842575E-12 0.00000000E+00 2 4.43423749E+03-2.91641267E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-9.99938661E+02 4 NiS(b) Crystal J12/76NI 1S 1 0 0S 300.000 652.000 652. 1 2.51505130E+00 1.98108790E-02-4.47517130E-05 5.35527360E-08-2.47391510E-11 2 -1.18972750E+04-1.22988050E+01 2.51505130E+00 1.98108790E-02-4.47517130E-05 3 5.35527360E-08-2.47391510E-11-1.18972750E+04-1.22988050E+01-1.05681072E+04 4 NiS(a) Crystal J12/76NI 1S 1 0 0S 652.000 1249.000 1000. 1 -2.16882770E+00 2.04672610E-02-1.52390680E-05 4.52420390E-09 0.00000000E+00 2 -9.25397310E+03 1.60189760E+01 1.59778550E+00 1.62791590E-02-2.39592640E-05 3 1.96652470E-08-5.99935920E-12-1.06051920E+04-4.99884140E+00 0.00000000E+00 4 NiS(L) Liquid J12/76NI 1S 1 0 0L 1249.000 5000.000 1 9.23426080E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.10536520E+04-4.57697360E+01 9.23426080E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.10536520E+04-4.57697360E+01 0.00000000E+00 4 NiS2(s) J 3/77NI 1S 2 0 0C 300.000 1280.000 1000. 1 5.27426400E+00 9.08709310E-03-5.82010990E-06 1.70500810E-09 0.00000000E+00 2 -1.75287250E+04-2.33922190E+01 7.74493490E+00 2.53517140E-03-9.97675870E-08 3 1.07829500E-10-4.19129410E-14-1.82225390E+04-3.62243880E+01-1.58013948E+04 4 NiS2(L) J 3/77NI 1S 2 0 0C 1280.000 5000.000 1 1.09452410E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.23449250E+04-4.97206240E+01 1.09452410E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-1.23449250E+04-4.97206240E+01 0.00000000E+00 4 Ni3S2(I) J12/76NI 3S 2 0 0S 300.000 829.000 829. 1 6.92383000E+00 4.04466800E-02-7.30739570E-05 7.10070760E-08-2.62218590E-11 2 -2.93621960E+04-3.27350520E+01 6.92383000E+00 4.04466800E-02-7.30739570E-05 3 7.10070760E-08-2.62218590E-11-2.93621960E+04-3.27350520E+01-2.60177884E+04 4 Ni3S2(II) J12/76NI 3S 2 0 0S 829.000 1062.000 1062. 1 2.26855850E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.93134790E+04-1.11689780E+02 2.26855850E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.93134790E+04-1.11689780E+02 0.00000000E+00 4 Ni3S2(L) J12/76NI 3S 2 0 0L 1062.000 5000.000 1 2.30680390E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -2.73444020E+04-1.12118110E+02 2.30680390E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-2.73444020E+04-1.12118110E+02 0.00000000E+00 4 Ni3S4(s) J 3/77NI 3S 4 0 0C 300.000 1100.000 1000. 1 1.46738180E+01 1.72757180E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.13600010E+04-6.63291620E+01 1.46711930E+01 1.72771640E-02-2.75692840E-09 3 1.02338580E-11-6.29839560E-15-4.13584790E+04-6.63129390E+01-3.62163568E+04 4 O L 1/90O 1 0 0 0G 200.000 6000.000 1000. 1 2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16 2 2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3 -6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 2.99687009E+04 4 O- RUS 89O 1E 1 0 0G 298.150 6000.000 1000. 1 2.54474868E+00-4.66695419E-05 1.84912310E-08-3.18159131E-12 1.98962894E-16 2 1.14822713E+04 4.52131018E+00 2.90805921E+00-1.69804907E-03 2.98069956E-06 3 -2.43835127E-09 7.61229313E-13 1.14138341E+04 2.80339097E+00 1.22272740E+04 4 O2 REF ELEMENT RUS 89O 2 0 0 0G 200.000 6000.000 1000. 1 3.66096083E+00 6.56365523E-04-1.41149485E-07 2.05797658E-11-1.29913248E-15 2 -1.21597725E+03 3.41536184E+00 3.78245636E+00-2.99673415E-03 9.84730200E-06 3 -9.68129508E-09 3.24372836E-12-1.06394356E+03 3.65767573E+00 0.00000000E+00 4 O2+ RUS 89O 2E -1 0 0G 298.150 6000.000 1000. 1 3.31675922E+00 1.11522244E-03-3.83492556E-07 5.72784687E-11-2.77648381E-15 2 1.39876823E+05 5.44726469E+00 4.61017167E+00-6.35951952E-03 1.42425624E-05 3 -1.20997923E-08 3.70956878E-12 1.39742229E+05-2.01326941E-01 1.40937762E+05 4 O2- L 4/89O 2E 1 0 0G 298.150 6000.000 1000. 1 3.95666294E+00 5.98141823E-04-2.12133905E-07 3.63267581E-11-2.24989228E-15 2 -7.06287229E+03 2.27871017E+00 3.66442522E+00-9.28741138E-04 6.45477082E-06 3 -7.74703380E-09 2.93332662E-12-6.87076983E+03 4.35140681E+00-5.77639825E+03 4 O3 L 5/90O 3 0 0 0G 200.000 6000.000 1000. 1 1.23302914E+01-1.19324783E-02 7.98741278E-06-1.77194552E-09 1.26075824E-13 2 1.26755831E+04-4.08823374E+01 3.40738221E+00 2.05379063E-03 1.38486052E-05 3 -2.23311542E-08 9.76073226E-12 1.58644979E+04 8.28247580E+00 1.70545228E+04 4 P J12/82P 1 0 0 0G 200.000 6000.000 1000. 1 2.80721555E+00-5.30841988E-04 2.44543046E-07-2.05708252E-11-2.94546619E-16 2 3.71892748E+04 3.67764723E+00 2.50004278E+00-4.38968637E-07 1.58131741E-09 3 -2.33900457E-12 1.20510940E-15 3.73073754E+04 5.38414719E+00 3.80527536E+04 4 PCL3 J 6/70P 1CL 3 0 0G 300.000 5000.000 1000. 1 9.45661160E+00 6.02784010E-04-2.58468780E-07 4.89042800E-11-3.40832850E-15 2 -3.77045574E+04-1.69296498E+01 5.25905370E+00 1.78805660E-02-2.73175850E-05 3 1.88982400E-08-4.87384960E-12-3.68644304E+04 3.25232968E+00-3.47080119E+04 4 PF J 6/77P 1F 1 0 0G 300.000 5000.000 1000. 1 4.28444030E+00 4.65131920E-05 1.29231550E-07-3.54596860E-11 2.93086420E-15 2 -7.67566495E+03 2.40196395E+00 2.67608630E+00 5.57221620E-03-7.28377960E-06 3 4.58194390E-09-1.11881060E-12-7.28916135E+03 1.04341832E+01-6.29944377E+03 4 PF2 J 6/77P 1F 2 0 0G 300.000 5000.000 1000. 1 6.09265880E+00 1.03133240E-03-4.53710200E-07 8.70455830E-11-5.97140520E-15 2 -6.07553254E+04-3.78513004E+00 2.44285260E+00 1.51863310E-02-2.21969240E-05 3 1.56489320E-08-4.32983720E-12-5.99609804E+04 1.40371170E+01-5.87248863E+04 4 PF3 J12/69P 1F 3 0 0G 300.000 5000.000 1000. 1 8.43477330E+00 1.73939200E-03-7.51198080E-07 1.43442470E-10-1.00939790E-14 2 -1.18180783E+05-1.64636020E+01 2.36218780E+00 2.28200450E-02-2.76566420E-05 3 1.44909620E-08-2.46023600E-12-1.16776903E+05 1.36864320E+01-1.15275206E+05 4 PF5 J12/69P 1F 5 0 0G 300.000 5000.000 1000. 1 1.28461840E+01 3.51044850E-03-1.51986040E-06 2.91019040E-10-2.05347080E-14 2 -1.96362263E+05-3.94755420E+01 1.05232490E+00 4.44540040E-02-5.39014290E-05 3 2.84166860E-08-4.91432680E-12-1.93632313E+05 1.90890100E+01-1.91765100E+05 4 PH J 6/67P 1H 1 0 0G 300.000 5000.000 1000. 1 3.07454420E+00 1.16989470E-03-3.03816540E-07 4.44363140E-11-2.70009750E-15 2 2.74268316E+04 5.76804846E+00 3.68034330E+00-1.27560180E-03 2.59324420E-06 3 -8.43541070E-10-1.72086090E-13 2.73339656E+04 2.91864116E+00 2.83957262E+04 4 PH3 J 6/62P 1H 3 0 0G 300.000 5000.000 1000. 1 3.34487940E+00 6.57709410E-03-2.63367550E-06 4.77446600E-10-3.23543900E-14 2 -8.16176752E+02 3.95479617E+00 3.15819350E+00 2.49414920E-03 9.02552530E-06 3 -1.02279040E-08 3.28342500E-12-4.61237252E+02 6.23722477E+00 6.52312908E+02 4 PN J 9/62P 1N 1 0 0G 300.000 5000.000 1000. 1 3.64192260E+00 9.44606720E-04-3.89234800E-07 7.32158260E-11-5.09616320E-15 2 1.13936880E+04 4.19044189E+00 3.37552390E+00-4.10093860E-04 5.12651510E-06 3 -5.94788980E-09 2.12135820E-12 1.15788400E+04 6.10290619E+00 1.26017849E+04 4 PO J 6/71P 1O 1 0 0G 300.000 5000.000 1000. 1 3.84279220E+00 7.23644560E-04-2.89341990E-07 5.30135540E-11-3.54953730E-15 2 -4.79945495E+03 4.55237735E+00 3.96130800E+00-2.12353990E-03 7.52012190E-06 3 -7.59509120E-09 2.56375910E-12-4.69896895E+03 4.58369215E+00-3.55964877E+03 4 PO2 J 9/62P 1O 2 0 0G 300.000 5000.000 1000. 1 5.69132780E+00 1.48068660E-03-6.54256920E-07 1.27932310E-10-9.20992770E-15 2 -3.97947254E+04-2.81972206E+00 2.33452730E+00 1.25021000E-02-1.43361950E-05 3 7.67621660E-09-1.54016940E-12-3.89688654E+04 1.40544350E+01-3.78293636E+04 4 P2 J 6/61P 2 0 0 0G 300.000 5000.000 1000. 1 4.16117330E+00 3.96208000E-04-1.55803390E-07 2.90934740E-11-2.00424580E-15 2 1.59468693E+04 2.24109239E+00 2.83911070E+00 4.82661930E-03-5.49474880E-06 3 2.58005070E-09-3.22364530E-13 1.62597073E+04 8.84241009E+00 1.72771170E+04 4 P4 J 6/61P 4 0 0 0G 300.000 5000.000 1000. 1 9.22627890E+00 8.68941280E-04-3.77583380E-07 7.23796660E-11-5.10661090E-15 2 4.09054959E+03-1.96417049E+01 3.53533000E+00 2.41252920E-02-3.64627590E-05 3 2.49169060E-08-6.32985630E-12 5.23553359E+03 7.75589569E+00 7.08599199E+03 4 P4O6 J12/62P 4O 6 0 0G 300.000 5000.000 1000. 1 2.23829590E+01 6.41271290E-03-2.84877920E-06 5.58964390E-10-4.03341410E-14 2 -2.65985440E+05-9.04488339E+01-5.41216630E+00 1.22358190E-01-1.95002050E-04 3 1.48292330E-07-4.37707920E-11-2.60299220E+05 4.33724011E+01-2.66312810E+05 4 P4O10 J12/65P 4O 10 0 0G 300.000 5000.000 1000. 1 2.89396590E+01 1.24520960E-02-5.48543200E-06 1.07047430E-09-7.69568570E-14 2 -3.60148633E+05-1.23859447E+02-4.41428830E+00 1.37590810E-01-1.92685980E-04 3 1.32720680E-07-3.63113780E-11-3.52629523E+05 4.01782260E+01-3.49287392E+05 4 P4O10(s) J12/65P 4O 10 0 0S 300.000 1500.000 1000. 1 -4.33006250E+01 2.15673760E-01-1.76863440E-04 6.76428520E-08-9.91087100E-12 2 -3.53461393E+05 2.26054720E+02 3.95560990E-01 1.13338170E-01-1.24099820E-04 3 9.77156010E-08-3.41078390E-11-3.66256443E+05-3.80906970E+00-3.62020394E+05 4 Pb(cr) REF ELEMEN RUS 91PB 1. 0. 0. 0.C 200.000 600.650 600.65 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 3.36014248E+00-4.31525514E-03 2.10404411E-05 3 -3.35897357E-08 1.91850988E-11-9.38593007E+02-1.07408687E+01 0.00000000E+00 4 Pb(L) RUS 91PB 1. 0. 0. 0.C 600.650 3600.000 1000. 1 4.18191355E+00-9.84150979E-04 3.55339809E-07-1.75808349E-11-3.23884419E-15 2 -7.56065769E+02-1.51099545E+01 3.40679935E+00 2.03221927E-03-4.17417470E-06 3 3.08397022E-09-8.16531438E-13-5.92027769E+02-1.13377955E+01 0.00000000E+00 4 Pb(G) J 3/83PB 1. 0. 0. 0.G 200.000 6000.000 1000. 1 4.16342379E+00-3.49637723E-03 2.28263170E-06-4.76749242E-10 3.22223800E-14 2 2.21687499E+04-2.13525305E+00 2.50229005E+00-2.44053643E-05 9.17082578E-08 3 -1.42817771E-10 7.83762196E-14 2.27314919E+04 6.84009322E+00 2.34770299E+04 4 PbBr RUS 91PB 1.BR 1. 0. 0.G 200.000 6000.000 1000. 1 4.88335727E+00-7.86114204E-04 5.80804002E-07-1.28047000E-10 8.75460006E-15 2 6.31394151E+03 5.06201066E+00 3.91081467E+00 3.42699379E-03-7.50571408E-06 3 7.38045812E-09-2.65379783E-12 6.53082034E+03 9.77305103E+00 7.79616863E+03 4 PbBr2 RUS 91PB 1.BR 2. 0. 0.G 200.000 6000.000 1000. 1 6.94157005E+00 6.21326203E-05-2.48772114E-08 4.30873672E-12-2.70637013E-16 2 -1.45807339E+04 1.25545062E+00 5.86671307E+00 6.50942993E-03-1.45793024E-05 3 1.43718900E-08-5.18586713E-12-1.44328266E+04 6.01742022E+00-1.24971962E+04 4 PbBr3 RUS 91PB 1.BR 3. 0. 0.G 200.000 6000.000 1000. 1 9.87687123E+00 1.30906478E-04-5.24079767E-08 9.07642769E-12-5.70073979E-16 2 -1.54839306E+04-1.00395521E+01 7.63531090E+00 1.35414085E-02-3.02742328E-05 3 2.98094808E-08-1.07480912E-11-1.51742765E+04-1.01579232E-01-1.25095715E+04 4 PbBr4 RUS 91PB 1.BR 4. 0. 0.G 200.000 6000.000 1000. 1 1.28293030E+01 1.81406972E-04-7.26097179E-08 1.25732708E-11-7.89625085E-16 2 -2.58086915E+04-2.17938757E+01 9.79363830E+00 1.82325847E-02-4.05892151E-05 3 3.98579771E-08-1.43451011E-11-2.53855692E+04-8.31284551E+00-2.19418235E+04 4 PbCL RUS 91PB 1.CL 1. 0. 0.G 200.000 6000.000 1000. 1 4.77878516E+00-5.76185892E-04 4.16285656E-07-7.78043957E-11 4.41848596E-15 2 -3.99310196E+02 4.22241249E+00 3.43346577E+00 5.91645117E-03-1.27643042E-05 3 1.23644948E-08-4.40460852E-12-1.35548782E+02 1.05680311E+01 1.06069005E+03 4 PbCL2 RUS 91PB 1.CL 2. 0. 0.G 200.000 6000.000 1000. 1 6.86386584E+00 1.44418948E-04-5.77475949E-08 9.99307033E-12-6.27298781E-16 2 -2.31956081E+04-1.26438369E+00 4.67246881E+00 1.28333505E-02-2.80322378E-05 3 2.71928111E-08-9.70648954E-12-2.28783788E+04 8.53709056E+00-2.11133874E+04 4 PbCL3 RUS 91PB 1.CL 3. 0. 0.G 200.000 6000.000 1000. 1 9.75449943E+00 2.60511450E-04-1.04184055E-07 1.80305836E-11-1.13191790E-15 2 -2.43386827E+04-1.34988839E+01 5.73329673E+00 2.36645015E-02-5.18850552E-05 3 5.04554082E-08-1.80404257E-11-2.37606703E+04 4.46241013E+00-2.13666839E+04 4 PbCL4 RUS 91PB 1.CL 4. 0. 0.G 200.000 6000.000 1000. 1 1.26456229E+01 3.75600343E-04-1.50109809E-07 2.59670773E-11-1.62965193E-15 2 -4.32462623E+04-2.64535498E+01 7.20271123E+00 3.15039589E-02-6.81959986E-05 3 6.57680628E-08-2.33832835E-11-4.24447601E+04-2.02928080E+00-3.93805963E+04 4 PbF RUS 91PB 1.F 1. 0. 0.G 200.000 6000.000 1000. 1 4.62469521E+00-3.57182851E-04 2.96708600E-07-5.23626254E-11 2.70488402E-15 2 -1.33304718E+04 3.63389401E+00 2.78063887E+00 8.11843060E-03-1.57616127E-05 3 1.41586145E-08-4.78150801E-12-1.29673501E+04 1.23847920E+01-1.18909941E+04 4 PbF2 RUS 91PB 1.F 2. 0. 0.G 200.000 6000.000 1000. 1 6.64915005E+00 3.68964558E-04-1.46786420E-07 2.53152951E-11-1.58542811E-15 2 -5.54201768E+04-3.14761847E+00 3.09009719E+00 1.82755848E-02-3.56644939E-05 3 3.20090682E-08-1.08151983E-11-5.48084139E+04 1.33318334E+01-5.33317526E+04 4 PbF3 RUS 91PB 1.F 3. 0. 0.G 200.000 6000.000 1000. 1 9.39298592E+00 6.39307274E-04-2.54559542E-07 4.39277645E-11-2.75218204E-15 2 -6.18612634E+04-1.60342079E+01 2.60791365E+00 3.60809169E-02-7.27567333E-05 3 6.68990558E-08-2.30122438E-11-6.07414884E+04 1.51122184E+01-5.88817156E+04 4 PbF4 RUS 91PB 1.F 4. 0. 0.G 200.000 6000.000 1000. 1 1.21140354E+01 9.30014166E-04-3.69586454E-07 6.36943618E-11-3.98701941E-15 2 -1.00086052E+05-2.99293752E+01 3.78352540E+00 4.20272805E-02-8.06350471E-05 3 7.15285812E-08-2.39701696E-11-9.86220071E+04 8.82112974E+00-9.62083363E+04 4 PbI RUS 91PB 1.I 1. 0. 0.G 200.000 6000.000 1000. 1 4.77908801E+00-6.13423042E-04 5.04852546E-07-1.21025192E-10 8.86739199E-15 2 1.16616491E+04 6.57802286E+00 4.12154865E+00 2.24055372E-03-4.90143238E-06 3 4.84068166E-09-1.74299193E-12 1.18042403E+04 9.75337209E+00 1.30981049E+04 4 PbI2 RUS 91PB 1.I 2. 0. 0.G 200.000 6000.000 1000. 1 6.95171958E+00 5.13521190E-05-2.05634944E-08 3.56191178E-12-2.23741341E-16 2 -3.31710200E+03 2.76237665E+00 6.05113168E+00 5.47268122E-03-1.22876373E-05 3 1.21318468E-08-4.38217601E-12-3.19383480E+03 6.74835176E+00-1.23310093E+03 4 PbI3 RUS 91PB 1.I 3. 0. 0.G 200.000 6000.000 1000. 1 9.92779040E+00 7.68212140E-05-3.07661461E-08 5.32960773E-12-3.34797849E-16 2 -3.60146434E+02-7.12646213E+00 8.56169127E+00 8.33054851E-03-1.87515559E-05 3 1.85434528E-08-6.70529633E-12-1.74186170E+02-1.08625004E+00 2.61655973E+03 4 PbI4 RUS 91PB 1.I 4. 0. 0.G 200.000 6000.000 1000. 1 1.29129326E+01 9.26271909E-05-3.70961452E-08 6.42613508E-12-4.03679383E-16 2 -8.82855657E+03-1.78594578E+01 1.12667107E+01 1.00373100E-02-2.25910309E-05 3 2.23388514E-08-8.07735499E-12-8.60441382E+03-1.05803790E+01-4.95837506E+03 4 PbO RUS 91PB 1.O 1. 0. 0.G 200.000 6000.000 1000. 1 3.74571756E+00 1.33518192E-03-8.10893018E-07 2.07121667E-10-1.53836080E-14 2 7.01602960E+03 7.13168301E+00 2.85133114E+00 5.17778949E-03-6.43570894E-06 3 3.48236131E-09-6.14028475E-13 7.16496994E+03 1.13376006E+01 8.19496374E+03 4 PbO2 RUS 91PB 1.O 2. 0. 0.G 200.000 6000.000 1000. 1 6.94193300E+00 5.82749417E-04-2.30857663E-07 3.97035999E-11-2.48173068E-15 2 1.41387466E+04-8.65827135E+00 2.99335677E+00 1.80665365E-02-3.11442238E-05 3 2.53517658E-08-7.93638862E-12 1.49086505E+04 1.01365456E+01 1.63753166E+04 4 PbS RUS 91PB 1.S 1. 0. 0.G 200.000 6000.000 1000. 1 3.89380257E+00 1.22928158E-03-8.24356293E-07 2.27321235E-10-1.79568342E-14 2 1.42107593E+04 7.78220190E+00 2.94557080E+00 7.91150277E-03-1.62640747E-05 3 1.52039470E-08-5.28885362E-12 1.42744762E+04 1.16955085E+01 1.53881964E+04 4 PbS2 RUS 91PB 1.S 2. 0. 0.G 200.000 6000.000 1000. 1 7.27167091E+00 2.41481526E-04-9.63891316E-08 1.66603078E-11-1.04497984E-15 2 2.71195711E+04-7.22166521E+00 4.14428219E+00 1.75558694E-02-3.70831339E-05 3 3.51874702E-08-1.23721092E-11 2.76001912E+04 6.92971803E+00 2.93521813E+04 4 S(S) REF ELEMENT J 9/77S 10 00 00 0S 300.000 388.360 388.36 1 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 2 0.00000000 0.00000000 0.18018871E+01 0.31543881E-02 0.00000000 3 0.00000000 0.00000000 -0.68614468E+03-0.72259874E+01 0.0 E+00 4 S(L) REF ELEMENT J 9/77S 10 00 00 0L 388.360 5000.000 1000. 1 0.33906200E+01 0.71182514E-03-0.39087832E-06 0.87327456E-10-0.68755181E-14 2 -0.63358440E+03-0.14788307E+02-0.38449885E+02 0.25707392E+00-0.55555365E-03 3 0.51325813E-06-0.17253650E-09 0.42933552E+04 0.16753043E+03 0.0 E+00 4 S J 9/82S 1 0 0 0G 200.000 6000.000 1000. 1 2.87936498E+00-5.11050388E-04 2.53806719E-07-4.45455458E-11 2.66717362E-15 2 3.25013791E+04 3.98140647E+00 2.31725616E+00 4.78018342E-03-1.42082674E-05 3 1.56569538E-08-5.96588299E-12 3.25068976E+04 6.06242434E+00 3.33128471E+04 4 SCL J 6/78S 1CL 1 0 0G 300.000 5000.000 1000. 1 4.59472600E+00-5.97717860E-05 4.52264950E-08-9.37184350E-12 8.07357270E-16 2 1.74524260E+04 2.37985153E+00 3.70558800E+00 5.27186230E-03-1.13718200E-05 3 1.04978270E-08-3.53184080E-12 1.75611590E+04 6.27945123E+00 1.88189067E+04 4 SCL2 J 6/78S 1CL 2 0 0G 300.000 5000.000 1000. 1 6.62714620E+00 4.27470190E-04-1.88168810E-07 3.57611550E-11-2.38494000E-15 2 -4.20002190E+03-4.23237025E+00 3.59663710E+00 1.43271930E-02-2.51991970E-05 3 2.05728820E-08-6.39769080E-12-3.63758370E+03 1.00605557E+01-2.11344531E+03 4 SF J 6/76S 1F 1 0 0G 300.000 5000.000 1000. 1 4.36908850E+00 1.92044240E-04-6.66303650E-08 1.24485900E-11-7.65374940E-16 2 2.20185260E+02 2.07596854E+00 3.42081750E+00 4.55111980E-03-7.93725640E-06 3 6.50047110E-09-2.02896650E-12 3.96095030E+02 6.54700574E+00 1.56005789E+03 4 SF2 J 6/76S 1F 2 0 0G 300.000 5000.000 1000. 1 6.11941960E+00 1.00514240E-03-4.46533130E-07 8.76240100E-11-6.32365120E-15 2 -3.77142410E+04-4.55717403E+00 2.41030560E+00 1.55901210E-02-2.31780180E-05 3 1.65834970E-08-4.64657610E-12-3.69163730E+04 1.35066804E+01-3.56790061E+04 4 SF3 J 6/77S 1F 3 0 0G 300.000 5000.000 1000. 1 8.80768970E+00 1.36716760E-03-6.08083330E-07 1.18830220E-10-8.44709150E-15 2 -6.34404940E+04-1.67648869E+01 1.87777280E+00 3.12340350E-02-5.15713790E-05 3 4.02473220E-08-1.21105940E-11-6.20679390E+04 1.63694361E+01-6.05016370E+04 4 SF4 J 6/76S 1F 4 0 0G 300.000 5000.000 1000. 1 1.11243830E+01 2.14579940E-03-9.54524440E-07 1.87461110E-10-1.35359530E-14 2 -9.55816690E+04-2.88756477E+01 1.28196450E+00 4.35698990E-02-7.01251680E-05 3 5.36772440E-08-1.59143560E-11-9.35867010E+04 1.84198703E+01-9.17889260E+04 4 SF5 J12/77S 1F 5 0 0G 300.000 5000.000 1000. 1 1.36105630E+01 2.65231300E-03-1.16914630E-06 2.42451320E-10-1.83147180E-14 2 -1.14002930E+05-4.30151012E+01-1.71476620E+00 6.87160080E-02-1.14079330E-04 3 8.93363790E-08-2.69404290E-11-1.10961780E+05 3.02724678E+01-1.09262883E+05 4 SF5BR J12/77S 1F 5BR 1 0G 200.000 6000.000 1000. 1 0.16222709E+02 0.28929217E-02-0.11443577E-05 0.19662531E-09-0.12282470E-13 2 -0.12263690E+06-0.54750256E+02-0.19908752E+01 0.82938683E-01-0.14215649E-03 3 0.11560301E-06-0.36238714E-10-0.11904847E+06 0.32112843E+02-0.11700028E+06 4 SF5CL J12/77S 1F 5CL 1 0G 200.000 6000.000 1000. 1 0.16068448E+02 0.30531997E-02-0.12076664E-05 0.20749336E-09-0.12960964E-13 2 -0.13058312E+06-0.55651991E+02-0.31561325E+01 0.87699695E-01-0.15063852E-03 3 0.12275611E-06-0.38552637E-10-0.12680072E+06 0.36001021E+02-0.12495024E+06 4 SF6 J 6/76S 1F 6 0 0G 300.000 5000.000 1000. 1 1.51629500E+01 4.38423180E-03-1.94863370E-06 3.82471960E-10-2.76050500E-14 2 -1.52268010E+05-5.44157194E+01-3.83880880E+00 8.32217210E-02-1.31816890E-04 3 9.96361540E-08-2.92487670E-11-1.48364770E+05 3.71611426E+01-1.46791868E+05 4 SN J 6/61S 1N 1 0 0G 300.000 5000.000 1000. 1 3.84939760E+00 7.27567880E-04-2.93702030E-07 5.50136280E-11-3.81235510E-15 2 3.04599620E+04 4.43127355E+00 3.94229710E+00-2.00355150E-03 7.35346440E-06 3 -7.51685600E-09 2.55910980E-12 3.05639490E+04 4.58030805E+00 3.17016142E+04 4 SO J 6/77S 1O 1 0 0G 300.000 5000.000 1000. 1 4.01428730E+00 2.70228170E-04 8.28966670E-08-3.43237410E-11 3.11214440E-15 2 -7.10519560E+02 3.49973505E+00 3.14902330E+00 1.18393470E-03 2.57406860E-06 3 -4.44434190E-09 1.87351590E-12-4.04075710E+02 8.31987915E+00 6.02271219E+02 4 SOF2 J 6/72S 1O 1F 2 0G 300.000 5000.000 1000. 1 8.08742120E+00 2.10957160E-03-9.08669120E-07 1.73448340E-10-1.22141580E-14 2 -6.82381590E+04-1.38555915E+01 2.47490660E+00 2.09524260E-02-2.41642770E-05 3 1.21203770E-08-1.93387310E-12-6.68976020E+04 1.41973405E+01-6.54188894E+04 4 SO2 J 6/61S 1O 2 0 0G 300.000 5000.000 1000. 1 5.24513640E+00 1.97042040E-03-8.03757690E-07 1.51499690E-10-1.05580040E-14 2 -3.75582270E+04-1.07404892E+00 3.26653380E+00 5.32379020E-03 6.84375520E-07 3 -5.28100470E-09 2.55904540E-12-3.69081480E+04 9.66465108E+00-3.57007867E+04 4 SO2CLF J 6/71S 1O 2CL 1F 1G 300.000 5000.000 1000. 1 1.01182860E+01 3.14889940E-03-1.34715140E-06 2.55803100E-10-1.79382560E-14 2 -7.05092910E+04-2.31278508E+01 2.98175280E+00 2.64491670E-02-2.92001820E-05 3 1.39576110E-08-2.03044870E-12-6.87614970E+04 1.27316812E+01-6.69282620E+04 4 SO2CL2 J 6/71S 1O 2CL 2 0G 300.000 5000.000 1000. 1 1.05509370E+01 2.67343010E-03-1.14282300E-06 2.16862000E-10-1.51991510E-14 2 -4.62950560E+04-2.43078570E+01 4.38516770E+00 2.32121570E-02-2.65321120E-05 3 1.34999230E-08-2.28192810E-12-4.48029740E+04 6.57867880E+00-4.26726368E+04 4 SO2F2 J 6/71S 1O 2F 2 0G 300.000 5000.000 1000. 1 9.60788850E+00 3.71110260E-03-1.58991140E-06 3.02324640E-10-2.12285770E-14 2 -9.47547680E+04-2.28489419E+01 1.73246800E+00 2.85017600E-02-2.94537980E-05 3 1.24013000E-08-1.17155330E-12-9.27813930E+04 1.69484101E+01-9.12343116E+04 4 SO3 J 9/65S 1O 3 0 0G 300.000 5000.000 1000. 1 7.07573760E+00 3.17633870E-03-1.35357600E-06 2.56309120E-10-1.79360440E-14 2 -5.02113760E+04-1.11875176E+01 2.57803850E+00 1.45563350E-02-9.17641730E-06 3 -7.92030220E-10 1.97094730E-12-4.89317530E+04 1.22651384E+01-4.75978348E+04 4 S2 J 9/77S 2 0 0 0G 300.000 5000.000 1000. 1 3.98860690E+00 5.57750510E-04-5.01892780E-08-1.54703190E-11 2.66617710E-15 2 1.41980150E+04 4.49119159E+00 2.85857540E+00 5.17583550E-03-6.54934340E-06 3 3.39986430E-09-4.01567660E-13 1.44124020E+04 9.89127849E+00 1.54434020E+04 4 S2CL J 6/78S 2CL 1 0 0G 300.000 5000.000 1000. 1 6.62294250E+00 4.37477870E-04-1.94304060E-07 3.66970150E-11-2.30912150E-15 2 7.36474510E+03-2.94188157E+00 3.62917020E+00 1.41777000E-02-2.49191780E-05 3 2.03331190E-08-6.32030790E-12 7.91952490E+03 1.11746042E+01 9.44875520E+03 4 S2CL2 L 4/93S 2CL 2 0 0G 200.000 6000.000 1000. 1 9.46841020E+00 1.12186352E-03-6.92784280E-07 1.38654463E-10-9.29397839E-15 2 -5.05019524E+03-1.52950441E+01 3.47905708E+00 3.25370028E-02-6.63904620E-05 3 6.21124845E-08-2.17112325E-11-4.02225567E+03 1.22791824E+01-2.01286666E+03 4 S2F2 (SSF2) J 6/76S 2F 2 0 0G 300.000 5000.000 1000. 1 8.82958920E+00 1.34072340E-03-5.96153210E-07 1.16854000E-10-8.40610860E-15 2 -5.12234920E+04-1.60942430E+01 1.92539690E+00 3.10520790E-02-5.11986690E-05 3 3.98812160E-08-1.19774150E-11-4.98547610E+04 1.69255960E+01-4.82791800E+04 4 FS2F J 6/76F 2S 2 0 0G 300.000 5000.000 1000. 1 9.03087760E+00 1.11307760E-03-4.96295140E-07 9.76154130E-11-7.05574520E-15 2 -4.34215640E+04-1.69373960E+01 2.84494960E+00 2.82028400E-02-4.73576220E-05 3 3.73947520E-08-1.13467000E-11-4.22164310E+04 1.25369140E+01-4.04641320E+04 4 S2F10 J12/77S 2F 10 0 0G 200.000 6000.000 1000. 1 0.28671327E+02 0.57615941E-02-0.24727206E-05 0.44061086E-09-0.28058011E-13 2 -0.25862467E+06-0.12091379E+03-0.67788927E+01 0.15100498E+00-0.24103120E-03 3 0.18355215E-06-0.54374282E-10-0.25118529E+06 0.50552882E+02-0.24828715E+06 4 S2O J 9/65S 2O 1 0 0G 300.000 5000.000 1000. 1 5.90375240E+00 1.23699750E-03-5.45707900E-07 1.06598420E-10-7.66882430E-15 2 -8.77520900E+03-2.26999836E+00 2.84142570E+00 1.21884100E-02-1.60002410E-05 3 1.03092890E-08-2.64491200E-12-8.06030150E+03 1.29180736E+01-6.79363039E+03 4 S8 J 9/77S 8 0 0 0G 200.000 6000.000 1000. 1 2.07249521E+01 1.34686111E-03-5.37225946E-07 9.28122853E-11-5.81951340E-15 2 5.53344324E+03-6.74805287E+01 4.19700496E+00 9.15503597E-02-1.91263611E-04 3 1.80177196E-07-6.30393695E-11 8.12071691E+03 7.58043917E+00 1.20776811E+04 4 Si(cr) RUS 91SI 1 0 0 0S 200.000 1690.000 1000. 1 1.75547382E+00 3.17285497E-03-2.78236402E-06 1.26458065E-09-2.17128464E-13 2 -6.28657363E+02-8.55341177E+00-1.29176912E-01 1.47203139E-02-2.76510160E-05 3 2.41878251E-08-7.93452912E-12-4.15516417E+02-3.59570008E-01 0.00000000E+00 4 Si(L) RUS 91SI 1 0 0 0L 1690.000 6000.000 1 3.27138941E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 4.88286795E+03-1.32665477E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 SiC(b) J 3/67SI 1C 1 0 0S 300.000 4000.000 1000. 1 3.79748090E+00 3.18728860E-03-1.45023340E-06 3.15497440E-10-2.61589910E-14 2 -1.02919370E+04-2.10677910E+01-2.47159070E+00 3.06937830E-02-4.92630850E-05 3 3.86263890E-08-1.17616210E-11-9.06912600E+03 8.80092140E+00-8.80624423E+03 4 SIF2 T 8/03SI 1.F 2. 0. 0.G 200.000 6000.000 1000. 1 6.19390519E+00 8.33925041E-04-3.28508545E-07 5.62901775E-11-3.50955198E-15 2 -7.74832375E+04-5.09916171E+00 2.97179653E+00 1.12488760E-02-1.21015308E-05 3 4.86338012E-09-2.30419482E-13-7.67006540E+04 1.10843008E+01-7.54120495E+04 4 SIF3 T 8/03SI 1.F 3. 0. 0.G 200.000 6000.000 1000. 1 8.53373721E+00 1.51373466E-03-5.95570184E-07 1.01971950E-10-6.35433845E-15 2 -1.22404807E+05-1.58446010E+01 2.73118713E+00 2.17689381E-02-2.75719554E-05 3 1.60951524E-08-3.47580296E-12-1.21042135E+05 1.30072861E+01-1.19473701E+05 4 SIF4 T 8/03SI 1.F 4. 0. 0.G 200.000 6000.000 1000. 1 1.07428193E+01 2.32397079E-03-9.12894519E-07 1.56145418E-10-9.72346468E-15 2 -1.98002728E+05-2.89723090E+01 2.32194412E+00 3.25987937E-02-4.37937019E-05 3 2.84077065E-08-7.23442490E-12-1.96043612E+05 1.27516051E+01-1.94236601E+05 4 SIHF3 T 8/03SI 1.F 3.H 1. 0.G 200.000 6000.000 1000. 1 9.16502323E+00 3.75614479E-03-1.43309291E-06 2.40660850E-10-1.48026591E-14 2 -1.48632262E+05-2.10748370E+01 1.96239441E+00 2.53209108E-02-2.32513149E-05 3 6.98460431E-09 6.97338685E-13-1.46767690E+05 1.55974888E+01-1.45248458E+05 4 SiO2(Lqz) J 6/67SI 1O 2 0 0S 200.000 847.000 847. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-7.58511380E-01 3.05773989E-02-4.00861855E-05 3 2.16194849E-08-6.17249042E-13-1.10371483E+05 1.78384529E+00-1.09550292E+05 4 SiO2(hqz) J 6/67SI 1O 2 0 0S 847.000 1696.000 1000. 1 7.23537106E+00 7.61842227E-04 4.89502294E-07-2.35754591E-10 4.20839131E-14 2 -1.11823834E+05-3.69642796E+01 7.11787621E+00 1.13819527E-03 3.69734234E-08 3 0.00000000E+00 0.00000000E+00-1.11794194E+05-3.63708064E+01-1.09550292E+05 4 SiO2(L) J 6/67SI 1O 2 0 0L 1696.000 6000.000 1 1.03160657E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.14600563E+05-5.76266603E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.09550292E+05 4 SiS2 Solid B /89SI 1S 2 0 0S 298.150 1363.000 1000. 1 8.40271418E+00 3.13408157E-03-2.30381538E-06 1.32114291E-09-2.82789755E-13 2 -2.82649031E+04-3.89938340E+01 8.91436638E+00 1.35634414E-03 2.22767520E-09 3 -3.02264623E-12 1.41797358E-15-2.83821677E+04-4.15331497E+01-2.56640500E+04 4 SiS2 Liquid B /89SI 1S 2 0 0L 1363.000 1500.000 1 1.20789350E+01-2.42499074E-06 8.45243131E-10 0.00000000E+00 0.00000000E+00 2 -3.04270857E+04-6.17829516E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.56640500E+04 4 Si2N2O(s) L 1/84SI 2N 2O 1 0S 298.150 2500.000 1000. 1 1.18490230E+01 2.42446810E-03 3.65292350E-07-4.25788290E-10 8.62759300E-14 2 -1.18214940E+05-6.42500920E+01-4.12268540E+00 5.41728140E-02-4.23929300E-05 3 -1.07245950E-08 1.73668580E-11-1.14746000E+05 1.48221580E+01-1.13982840E+05 4 Si3N4(a) J 3/67SI 3N 4 0 0S 300.000 3000.000 1000. 1 2.79817450E+00 2.79750180E-02-1.50205780E-05 3.58722880E-09-3.17769690E-13 2 -9.10172410E+04-8.92688190E+00 7.16356800E+00 1.90071110E-02-1.14693330E-05 3 7.06659150E-09-2.74586400E-12-9.24666510E+04-3.24424310E+01-8.95746895E+04 4 Xe REF ELEMENT G 8/02XE 1. 0. 0. 0.G 200.000 6000.000 1000. 1 2.50024132E+00-4.69629643E-07 2.96003016E-10-7.40582264E-14 6.36893090E-18 2 -7.45462928E+02 6.16312017E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-7.45375000E+02 6.16444240E+00 0.00000000E+00 4 Xe+ L10/92XE 1E -1 0 0G 298.150 6000.000 1000. 1 2.58350579E+00-1.53488750E-04 8.09594639E-08-1.14289234E-11 4.82081406E-16 2 1.40730117E+05 7.09057067E+00 2.50007477E+00-6.25614186E-07 1.86430963E-09 3 -2.35599457E-12 1.07219368E-15 1.40761095E+05 7.55040436E+00 1.41506477E+05 4 Zn(cr)REF ELEMENT coda89ZN 1. 0. 0. 0.S 200.000 692.730 692.73 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 1.85068929E+00 9.17791410E-03-2.61047009E-05 3 3.38568767E-08-1.39430709E-11-7.89403133E+02-7.38526333E+00 0.00000000E+00 4 Zn(L) coda89ZN 1. 0. 0. 0.L 692.730 6000.000 1000. 1 3.77653043E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -4.31695298E+02-1.56708437E+01 3.77653043E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-4.31695298E+02-1.56708437E+01 0.00000000E+00 4 ZnCl2(G) T 2/03ZN 1.CL 2. 0. 0.G 298.150 5000.000 1000. 1 7.61145422E+00-3.15964547E-04 2.06215336E-07-5.29364361E-11 4.50903014E-15 2 -3.43210793E+04-1.02719919E+01 3.85545098E+00 1.83777322E-02-3.71779377E-05 3 3.42343110E-08-1.18362789E-11-3.36541943E+04 7.20305359E+00-3.19542583E+04 4 ZnSO4(a) j 3/79ZN 1.S 1.O 4. 0.S 200.000 540.000 540. 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00-1.38344657E+00 8.73784284E-02-2.28793506E-04 3 3.46079600E-07-2.01391250E-10-1.19922252E+05 2.63494711E+00-1.17883536E+05 4 ZnSO4(a') j 3/79ZN 1.S 1.O 4. 0.S 540.000 1013.000 1013. 1 1.59277011E+01 1.15160104E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.22619432E+05-7.81072009E+01 1.60863189E+01-1.48907178E-04 2.09558771E-06 3 -1.11418108E-09 1.60483859E-13-1.22579876E+05-7.86189063E+01-1.17883536E+05 4 ZnSO4(b) j 3/79ZN 1.S 1.O 4. 0.S 1013.000 6000.000 1000. 1 1.74616183E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -1.21136788E+05-8.51421182E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.17883536E+05 4