! 2015-05-23: Lars Seidel - Unified noumeric format THERMO 300.0 1000.0 3000.0 H H 1 0 0 0 298.000 5000.000 1000.00 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.25471620E+05-0.46011760E+00 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.25471620E+05-0.46011760E+00 4 O O 1 0 0 0 298.000 5000.000 1000.00 1 0.25420590E+01-0.27550610E-04-0.31028030E-08 0.45510670E-11-0.43680510E-15 2 0.29230800E+05 0.49203080E+01 0.29464280E+01-0.16381665E-02 0.24210310E-05 3 -0.16028431E-08 0.38906960E-12 0.29147640E+05 0.29639950E+01 4 OH H 1O 1 0 0 298.000 5000.000 1000.00 1 0.28827300E+01 0.10139743E-02-0.22768770E-06 0.21746830E-10-0.51263050E-15 2 0.38868880E+04 0.55957120E+01 0.36372660E+01 0.18509100E-03-0.16761646E-05 3 0.23872020E-08-0.84314420E-12 0.36067810E+04 0.13588605E+01 4 HO2 H 1O 2 0 0 298.000 5000.000 1000.00 1 0.40721910E+01 0.21312960E-02-0.53081450E-06 0.61122690E-10-0.28411640E-14 2 -0.15797270E+03 0.34760290E+01 0.29799630E+01 0.49966970E-02-0.37909970E-05 3 0.23541920E-08-0.80890240E-12 0.17622730E+03 0.92227240E+01 4 H2O2 H 2O 2 0 0 298.000 5000.000 1000.00 1 0.45731670E+01 0.43361360E-02-0.14746888E-05 0.23489030E-09-0.14316536E-13 2 -0.18006960E+05 0.50113690E+00 0.33887530E+01 0.65692260E-02-0.14850125E-06 3 -0.46258050E-08 0.24715140E-11-0.17663140E+05 0.67853630E+01 4 CH C 1H 1 0 0 298.000 5000.000 1000.00 1 0.21962233E+01 0.23403810E-02-0.70582013E-06 0.90075822E-10-0.38550401E-14 2 0.70867234E+05 0.91783733E+01 0.32002025E+01 0.20728756E-02-0.51344314E-05 3 0.57338903E-08-0.19555332E-11 0.70452594E+05 0.33315878E+01 4 HCO C 1H 1O 1 0 298.000 5000.000 1000.00 1 0.35572710E+01 0.33455720E-02-0.13350060E-05 0.24705720E-09-0.17138500E-13 2 0.39163240E+04 0.55522990E+01 0.28983290E+01 0.61991460E-02-0.96230840E-05 3 0.10898249E-07-0.45748850E-11 0.41599220E+04 0.89836140E+01 4 CH2-P C 1H 2 0 0 298.000 5000.000 1000.00 1 0.35528886E+01 0.20667883E-02-0.19141160E-06-0.11046734E-09 0.20213496E-13 2 0.49849754E+05 0.16865701E+01 0.39712651E+01-0.16990888E-03 0.10253689E-05 3 0.24925508E-08-0.19812663E-11 0.49893676E+05 0.57532072E-01 4 CH2-S C 1H 2 0 0 298.000 5000.000 1000.00 1 0.36364078E+01 0.19330566E-02-0.16870163E-06-0.10098994E-09 0.18082558E-13 2 0.45341340E+05 0.21565607E+01 0.37622371E+01 0.11598191E-02 0.24895854E-06 3 0.88008356E-09-0.73324354E-12 0.45367906E+05 0.17125776E+01 4 CH2O C 1H 2O 1 0 298.000 5000.000 1000.00 1 0.29956062E+01 0.66813212E-02-0.26289547E-05 0.47371529E-09-0.32125175E-13 2 -0.15320369E+05 0.69125724E+01 0.16527312E+01 0.12631439E-01-0.18881685E-04 3 0.20500314E-07-0.84132371E-11-0.14865404E+05 0.13784820E+02 4 CH3 C 1H 3 0 0 298.000 5000.000 1000.00 1 0.28440516E+01 0.61379741E-02-0.22303452E-05 0.37851608E-09-0.24521590E-13 2 0.16437809E+05 0.54526973E+01 0.24304428E+01 0.11124099E-01-0.16802203E-04 3 0.16218287E-07-0.58649526E-11 0.16423781E+05 0.67897940E+01 4 CH3O C 1H 3O 1 0 298.000 5000.000 1000.00 1 0.37707996E+01 0.78714974E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2 0.12783252E+03 0.29295750E+01 0.21062040E+01 0.72165951E-02 0.53384720E-05 3 -0.73776363E-08 0.20756105E-11 0.97860107E+03 0.13152177E+02 4 CH2OH C 1H 3O 1 0 298.000 5000.000 1000.00 1 0.47235041E+01 0.61020441E-02-0.19132094E-05 0.27607427E-09-0.14548367E-13 2 -0.39329165E+04-0.85243821E-01 0.33368406E+01 0.65881237E-02 0.29979328E-05 3 -0.58719714E-08 0.21229572E-11-0.33168267E+04 0.80668154E+01 4 CH3O2 C 1H 3O 2 0 298.000 5000.000 1000.00 1 0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2 0.52621851E+03-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-07 3 -0.11274587E-07 0.56665133E-11 0.20695879E+04 0.15007068E+02 4 CH4 C 1H 4 0 0 298.000 5000.000 1000.00 1 0.16834788E+01 0.10237236E-01-0.38751286E-05 0.67855849E-09-0.45034231E-13 2 -0.10080787E+05 0.96233950E+01 0.77874148E+00 0.17476683E-01-0.27834090E-04 3 0.30497080E-07-0.12239307E-10-0.98252285E+04 0.13722195E+02 4 CH3OH C 1H 4O 1 0 298.000 5000.000 1000.00 1 0.40290613E+01 0.93765929E-02-0.30502542E-05 0.43587933E-09-0.22247232E-13 2 -0.26157910E+05 0.23781958E+01 0.26601152E+01 0.73415078E-02 0.71700506E-05 3 -0.87931937E-08 0.23905704E-11-0.25353484E+05 0.11232631E+02 4 CH3O2H C 1H 4O 2 0 298.000 5000.000 1390.00 1 0.84311709E+01 0.80681791E-02-0.27709492E-05 0.43133224E-09-0.25069215E-13 2 -0.19667877E+05-0.18613792E+02 0.32344282E+01 0.19012977E-01-0.11338629E-04 3 0.34030665E-08-0.41183022E-12-0.17719793E+05 0.97595108E+01 4 C2H C 2H 1 0 0 298.000 5000.000 1000.00 1 0.45165185E+01 0.20703981E-02-0.52797084E-06 0.81878324E-10-0.60232424E-14 2 0.66368367E+05-0.17040235E+01 0.19856854E+01 0.13362670E-01-0.22374567E-04 3 0.20021588E-07-0.68605756E-11 0.66921246E+05 0.10476447E+02 4 C2O C 2O 1 0 0 298.000 5000.000 1000.00 1 0.48498090E+01 0.29475850E-02-0.10907286E-05 0.17925620E-09-0.11157585E-13 2 0.32820550E+05-0.64532250E+00 0.33688500E+01 0.82418030E-02-0.87651450E-05 3 0.55692620E-08-0.15400086E-11 0.33170810E+05 0.67133140E+01 4 HCCO C 2H 1O 1 0 298.000 5000.000 1000.00 1 0.67580728E+01 0.20004003E-02-0.20276073E-06-0.10411318E-09 0.19651647E-13 2 0.19015133E+05-0.90712624E+01 0.50479651E+01 0.44534779E-02 0.22682828E-06 3 -0.14820946E-08 0.22507415E-12 0.19658918E+05 0.48184395E+00 4 C2H2 C 2H 2 0 0 298.000 5000.000 1000.00 1 0.44367704E+01 0.53760391E-02-0.19128167E-05 0.32863789E-09-0.21567095E-13 2 0.25667664E+05-0.28003383E+01 0.20135622E+01 0.15190446E-01-0.16163189E-04 3 0.90789918E-08-0.19127460E-11 0.26124443E+05 0.88053780E+01 4 CH2CO C 2H 2O 1 0 298.000 5000.000 1000.00 1 0.60388174E+01 0.58048405E-02-0.19209538E-05 0.27944846E-09-0.14588675E-13 2 -0.85834023E+04-0.76575813E+01 0.29749708E+01 0.12118712E-01-0.23450457E-05 3 -0.64666850E-08 0.39056492E-11-0.76326367E+04 0.86735525E+01 4 C2H3 C 2H 3 0 0 298.000 5000.000 1000.00 1 0.59334679E+01 0.40177456E-02-0.39667395E-06-0.14412666E-09 0.23786435E-13 2 0.31854346E+05-0.85303125E+01 0.24592764E+01 0.73714764E-02 0.21098729E-05 3 -0.13216421E-08-0.11847838E-11 0.33352250E+05 0.11556202E+02 4 CH2CHO C 2H 3O 1 0 298.000 5000.000 1000.00 1 0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2 0.49032178E+03-0.50452509E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3 -0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95582905E+01 4 CH3CO C 2H 3O 1 0 298.000 5000.000 1000.00 1 0.56122789E+01 0.84498860E-02-0.28541472E-05 0.42383763E-09-0.22684037E-13 2 -0.51878633E+04-0.32749491E+01 0.31252785E+01 0.97782202E-02 0.45214483E-05 3 -0.90094616E-08 0.31937179E-11-0.41085078E+04 0.11228854E+02 4 C2H4 C 2H 4 0 0 298.000 5000.000 1000.00 1 0.35284188E+01 0.11485185E-01-0.44183853E-05 0.78446005E-09-0.52668485E-13 2 0.44282886E+04 0.22303891E+01-0.86148799E+00 0.27961628E-01-0.33886772E-04 3 0.27851522E-07-0.97378789E-11 0.55730459E+04 0.24211487E+02 4 CH3CHO C 2H 4O 1 0 298.000 5000.000 1000.00 1 0.58686504E+01 0.10794241E-01-0.36455303E-05 0.54129123E-09-0.28968442E-13 2 -0.22645687E+05-0.60129461E+01 0.25056953E+01 0.13369907E-01 0.46719533E-05 3 -0.11281401E-07 0.42635661E-11-0.21245887E+05 0.13350887E+02 4 C2H5 C 2H 5 0 0 298.000 5000.000 1000.00 1 0.71904802E+01 0.64840773E-02-0.64280647E-06-0.23478794E-09 0.38808773E-13 2 0.10674549E+05-0.14780892E+02 0.26907017E+01 0.87191332E-02 0.44198387E-05 3 0.93387031E-09-0.39277735E-11 0.12870404E+05 0.12138195E+02 4 C2H6 C 2H 6 0 0 298.000 5000.000 1000.00 1 0.48259382E+01 0.13840429E-01-0.45572588E-05 0.67249672E-09-0.35981614E-13 2 -0.12717793E+05-0.52395067E+01 0.14625387E+01 0.15494667E-01 0.57805073E-05 3 -0.12578319E-07 0.45862671E-11-0.11239176E+05 0.14432295E+02 4 CH2CH2OH C 2H 5O 1 0 298.000 5000.000 1000.00 1 0.75944014E+01 0.93229339E-02-0.30303854E-05 0.43216319E-09-0.21970039E-13 2 -0.57727852E+04-0.13968735E+02 0.14019508E+01 0.21543175E-01-0.22326512E-05 3 -0.14464092E-07 0.80488420E-11-0.38464519E+04 0.19135818E+02 4 CH3CHOH C 2H 5O 1 0 298.000 5000.000 1000.00 1 0.67665424E+01 0.11634436E-01-0.37790651E-05 0.53828875E-09-0.27315345E-13 2 -0.56092969E+04-0.94112072E+01 0.24813328E+01 0.16790036E-01 0.37755499E-05 3 -0.13923497E-07 0.60095193E-11-0.40120054E+04 0.14568459E+02 4 C2H5OH C 2H 6O 1 0 298.000 5000.000 1000.00 1 0.79087286E+01 0.12227729E-01-0.35144249E-05 0.42572035E-09-0.15468177E-13 2 -0.31943867E+05-0.16426895E+02 0.16487226E+01 0.21139644E-01 0.32672033E-05 3 -0.16375399E-07 0.73521788E-11-0.29673598E+05 0.18271423E+02 4 C2H5O C 2H 5O 1 0 298.000 5000.000 1000.00 1 0.60114346E+01 0.12165219E-01-0.40449604E-05 0.59076588E-09-0.30969595E-13 2 -0.49366992E+04-0.68033428E+01 0.17302504E+01 0.16908489E-01 0.39996221E-05 3 -0.13711180E-07 0.57643603E-11-0.32922483E+04 0.17322952E+02 4 C3H2 C 3H 2 0 0 298.000 5000.000 1000.00 1 0.65308530E+01 0.58703160E-02-0.17207760E-05 0.21274980E-09-0.82919100E-14 2 0.51152130E+05-0.11227278E+02 0.26910770E+01 0.14803664E-01-0.32505510E-05 3 -0.86443630E-08 0.52848770E-11 0.52190720E+05 0.87573910E+01 4 C3H3 C 3H 3 0 0 298.000 5000.000 1000.00 1 0.80916252E+01 0.37372850E-02 0.13886647E-05-0.12298604E-08 0.20681585E-12 2 0.35437793E+05-0.18204468E+02 0.25097322E+01 0.17103866E-01-0.45710858E-05 3 -0.82841574E-08 0.54362287E-11 0.37040680E+05 0.11011264E+02 4 C3H4 C 3H 4 0 0 298.000 5000.000 1000.00 1 0.97762560E+01 0.53021380E-02-0.37011180E-06-0.30263860E-09 0.50895810E-13 2 0.19549720E+05-0.30770610E+02 0.25398310E+01 0.16334370E-01-0.17649500E-05 3 -0.46473650E-08 0.17291310E-11 0.22512430E+05 0.99357020E+01 4 C3H4P C 3H 4 0 0 298.000 5000.000 1000.00 1 0.65344639E+01 0.10337744E-01-0.34001059E-05 0.49091375E-09-0.25363748E-13 2 0.19441707E+05-0.11395943E+02 0.26681128E+01 0.16177788E-01 0.97236625E-06 3 -0.11532656E-07 0.56520986E-11 0.20800957E+05 0.98740911E+01 4 C3H5 C 3H 5 0 0 298.000 5000.000 1000.00 1 0.79091978E+01 0.12115255E-01-0.41175863E-05 0.61566796E-09-0.33235733E-13 2 0.12354156E+05-0.19672333E+02-0.54100400E+00 0.27284101E-01-0.96365329E-06 3 -0.19129462E-07 0.98394175E-11 0.15130395E+05 0.26067337E+02 4 C3H6 C 3H 6 0 0 298.000 5000.000 1000.00 1 0.67322570E+01 0.14908336E-01-0.49498990E-05 0.72120220E-09-0.37662040E-13 2 -0.92357030E+03-0.13313348E+02 0.14933071E+01 0.20925170E-01 0.44867940E-05 3 -0.16689121E-07 0.71581460E-11 0.10748264E+04 0.16145340E+02 4 N-C3H7 C 3H 7 0 0 298.000 5000.000 1000.00 1 0.79782900E+01 0.15761134E-01-0.51732430E-05 0.74438920E-09-0.38249780E-13 2 0.75794020E+04-0.19356110E+02 0.19225360E+01 0.24789270E-01 0.18102490E-05 3 -0.17832650E-07 0.85829960E-11 0.97132810E+04 0.13992715E+02 4 I-C3H7 C 3H 7 0 0 298.000 5000.000 1000.00 1 0.80633690E+01 0.15744876E-01-0.51823910E-05 0.74772450E-09-0.38544220E-13 2 0.53138710E+04-0.21926460E+02 0.17132990E+01 0.25426160E-01 0.15808083E-05 3 -0.18212860E-07 0.88277100E-11 0.75358080E+04 0.12979008E+02 4 C3H8 C 3H 8 0 0 298.000 5000.000 1000.00 1 0.75252170E+01 0.18890340E-01-0.62839240E-05 0.91793730E-09-0.48124100E-13 2 -0.16464548E+05-0.17843900E+02 0.89692080E+00 0.26689860E-01 0.54314250E-05 3 -0.21260000E-07 0.92433300E-11-0.13954918E+05 0.19355330E+02 4 C4H C 4H 1 0 0 298.000 5000.000 1000.00 1 0.77697593E+01 0.49829976E-02-0.17628546E-05 0.28144284E-09-0.16689869E-13 2 0.94345900E+05-0.14165274E+02 0.13186295E+01 0.38582956E-01-0.71385623E-04 3 0.65356359E-07-0.22617666E-10 0.95456106E+05 0.15567583E+02 4 C4H2 C 4H 2 0 0 298.000 5000.000 1000.00 1 0.90314074E+01 0.60472526E-02-0.19487888E-05 0.27548630E-09-0.13856080E-13 2 0.49863400E+05-0.23850677E+02 0.40051918E+01 0.19810002E-01-0.98658775E-05 3 -0.66351582E-08 0.60774129E-11 0.51156693E+05 0.18457365E+01 4 H2C4O C 4H 2O 1 0 298.000 5000.000 1000.00 1 0.10268880E+02 0.48961640E-02-0.48850810E-06-0.27085660E-09 0.51070130E-13 2 0.23469030E+05-0.28159850E+02 0.48109710E+01 0.13139990E-01 0.98650730E-06 3 -0.61207200E-08 0.16400030E-11 0.25458030E+05 0.21134240E+01 4 N-C4H3 C 4H 3 0 0 298.000 5000.000 1000.00 1 0.54328279E+01 0.16860981E-01-0.94313109E-05 0.25703895E-08-0.27456309E-12 2 0.61600680E+05-0.15673981E+01-0.31684113E+00 0.46912100E-01-0.68093810E-04 3 0.53179921E-07-0.16523005E-10 0.62476199E+05 0.24622559E+02 4 I-C4H3 C 4H 3 0 0 298.000 5000.000 1000.00 1 0.90978165E+01 0.92207119E-02-0.33878441E-05 0.49160498E-09-0.14529780E-13 2 0.56600574E+05-0.19802597E+02 0.20830412E+01 0.40834274E-01-0.62159685E-04 3 0.51679358E-07-0.17029184E-10 0.58005129E+05 0.13617462E+02 4 C4H4 C 4H 4 0 0 298.000 5000.000 1000.00 1 0.66507092E+01 0.16129434E-01-0.71938875E-05 0.14981787E-08-0.11864110E-12 2 0.31195992E+05-0.97952118E+01-0.19152479E+01 0.52750878E-01-0.71655944E-04 3 0.55072423E-07-0.17286228E-10 0.32978504E+05 0.31419983E+02 4 N-C4H5 C 4H 5 0 0 298.000 5000.000 1000.00 1 0.12865971E+02 0.79433690E-02-0.86264660E-06-0.46556350E-09 0.89511310E-13 2 0.37835520E+05-0.41825020E+02 0.29952400E+01 0.22884560E-01 0.19754710E-05 3 -0.11482454E-07 0.31978230E-11 0.41422180E+05 0.12894539E+02 4 I-C4H5 C 4H 5 0 0 298.000 5000.000 1000.00 1 0.11997762E+02 0.79905800E-02-0.80981720E-06-0.45687330E-09 0.86369110E-13 2 0.32284930E+05-0.35284940E+02 0.38794430E+01 0.19976630E-01 0.18727770E-05 3 -0.93069530E-08 0.23861160E-11 0.35268590E+05 0.98421520E+01 4 C4H6 C 4H 6 0 0 298.000 5000.000 1000.00 1 0.12544366E+02 0.95965250E-02-0.91870120E-06-0.54296400E-09 0.10053636E-12 2 0.85973300E+04-0.42174500E+02 0.19316240E+01 0.24790300E-01 0.30180710E-05 3 -0.11546856E-07 0.25866230E-11 0.12554682E+05 0.17019990E+02 4 C4H612 C 4H 6 0 0 298.000 5000.000 1000.00 1 0.17815570E+02-0.42575020E-02 0.10511850E-04-0.44738440E-08 0.58481380E-12 2 0.12673420E+05-0.69826620E+02 0.10234670E+01 0.34959190E-01-0.22009050E-04 3 0.69422720E-08-0.78791870E-12 0.18117990E+05 0.19750660E+02 4 C4H7 C 4H 7 0 0 298.000 5000.000 1000.00 1 0.54406620E+01 0.27446030E-01-0.13654960E-04 0.33403520E-08-0.32900500E-12 2 0.19037120E+05-0.28759650E+01 0.92781510E+01-0.29563050E-01 0.16328660E-03 3 -0.20005760E-06 0.79346050E-10 0.19638130E+05-0.12965530E+02 4 C4H8-1 C 4H 8 0 0 298.000 5000.000 1000.00 1 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2 -0.21397231E+04 0.15543201E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3 -0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21062469E+02 4 C4H8-2 C 4H 8 0 0 298.000 5000.000 1000.00 1 0.82797676E+00 0.35864539E-01-0.16634498E-04 0.34732759E-08-0.26657398E-12 2 -0.30521033E+04 0.21342545E+02 0.12594252E+01 0.27808424E-01 0.87013932E-05 3 -0.24402205E-07 0.98977710E-11-0.29647742E+04 0.20501129E+02 4 C-2-C4H8 C 4H 8 0 0 298.000 5000.000 1000.00 1 0.11097383E+01 0.35542578E-01-0.16481703E-04 0.34412202E-08-0.26411468E-12 2 -0.26507607E+04 0.19353516E+02 0.24108791E+01 0.25147773E-01 0.98473047E-05 3 -0.22716758E-07 0.86585895E-11-0.27758694E+04 0.14084535E+02 4 C4H9-1 C 4H 9 0 0 298.000 5000.000 1000.00 1 0.90049105E+01 0.24003319E-01-0.89551868E-05 0.15322594E-08-0.98247040E-13 2 0.34630112E+04-0.20525192E+02 0.21864157E+01 0.33004966E-01 0.30301208E-05 3 -0.24040720E-07 0.11306377E-10 0.58979180E+04 0.17254166E+02 4 C4H9-2 C 4H 9 0 0 298.000 5000.000 1000.00 1 0.94282923E+01 0.21911845E-01-0.72831863E-05 0.10622090E-08-0.55580591E-13 2 0.36300923E+04-0.22419800E+02 0.69567555E+00 0.33100396E-01 0.63189173E-05 3 -0.27052078E-07 0.12000780E-10 0.68517148E+04 0.26270721E+02 4 C4H10 C 4H 10 0 0 298.000 5000.000 1000.00 1 0.10526502E+02 0.23627248E-01-0.78760077E-05 0.11501951E-08-0.60251446E-13 2 -0.20519313E+05-0.32140045E+02 0.15223389E+01 0.34286838E-01 0.81006638E-05 3 -0.29214874E-07 0.12672835E-10-0.17125832E+05 0.18349014E+02 4 C5H2 C 5H 2 0 0 298.000 5000.000 1000.00 1 0.11329170E+02 0.74240570E-02-0.26281890E-05 0.40825410E-09-0.23013330E-13 2 0.78787060E+05-0.36171170E+02 0.30623220E+01 0.27099980E-01-0.10091700E-04 3 -0.12727450E-07 0.91672190E-11 0.81149690E+05 0.70710780E+01 4 C5H3 C 5H 3 0 0 298.000 5000.000 1000.00 1 0.10787620E+02 0.95396190E-02-0.32067450E-05 0.47333230E-09-0.25121350E-13 2 0.63929040E+05-0.30054440E+02 0.43287200E+01 0.23524800E-01-0.58567230E-05 3 -0.12154490E-07 0.77264780E-11 0.65885310E+05 0.41732590E+01 4 C5H5 C 5H 5 0 0 298.000 5000.000 1000.00 1 0.10844066E+02 0.15392837E-01-0.55630421E-05 0.90189371E-09-0.54156531E-13 2 0.26900566E+05-0.35254948E+02-0.95903718E+00 0.31396859E-01 0.26723794E-04 3 -0.68941872E-07 0.33301856E-10 0.30729120E+05 0.29072816E+02 4 C5H6 C 5H 6 0 0 298.000 5000.000 1000.00 1 0.10624320E+02 0.17735448E-01-0.62330446E-05 0.97308317E-09-0.55500130E-13 2 0.10772188E+05-0.35773422E+02-0.28978958E+01 0.43484777E-01-0.33511005E-05 3 -0.31103756E-07 0.16912444E-10 0.15084742E+05 0.36894760E+02 4 C5H4O C 5H 4O 1 0 298.000 5000.000 1000.00 1 0.47927242E+01 0.29221680E-01-0.15997486E-04 0.42069049E-08-0.42815179E-12 2 0.22849286E+04-0.30131893E+01-0.23915355E+01 0.47363680E-01-0.30728171E-04 3 0.78031552E-08-0.25145729E-12 0.43740152E+04 0.34594337E+02 4 C5H5O C 5H 5O 1 0 298.000 5000.000 1000.00 1 0.12606422E+02 0.16747260E-01-0.61098574E-05 0.99676557E-09-0.60113201E-13 2 0.39313455E+04-0.42604277E+02 0.23042835E+00 0.32322691E-01 0.28900443E-04 3 -0.70679977E-07 0.33406891E-10 0.80753082E+04 0.25330974E+02 4 C5H4OH C 5H 5O 1 0 298.000 5000.000 1000.00 1 0.13367912E+02 0.15205785E-01-0.54592258E-05 0.88134866E-09-0.52774454E-13 2 0.38411506E+04-0.45920839E+02-0.12822236E+01 0.49041160E-01-0.13688997E-04 3 -0.29133858E-07 0.19006964E-10 0.80087098E+04 0.30798358E+02 4 C6H C 6H 1 0 0 298.000 5000.000 1000.00 1 0.12370055E+02 0.52177699E-02-0.16885009E-05 0.25807149E-09-0.15472851E-13 2 0.12158739E+06-0.34952797E+02-0.25630299E+00 0.63793827E-01-0.11440118E-03 3 0.10136744E-06-0.34361855E-10 0.12408855E+06 0.24930750E+02 4 C6H2 C 6H 2 0 0 298.000 5000.000 1000.00 1 0.13226281E+02 0.73904302E-02-0.22715381E-05 0.25875217E-09-0.55356741E-14 2 0.80565258E+05-0.41201176E+02-0.15932624E+01 0.80530145E-01-0.14800649E-03 3 0.13300031E-06-0.45332313E-10 0.83273227E+05 0.27980873E+02 4 C6H3 C 6H 3 0 0 298.000 4000.000 1000.00 1 0.58188343E+01 0.27933408E-01-0.17825427E-04 0.53702536E-08-0.61707627E-12 2 0.85188250E+05-0.92147827E+00 0.11790619E+01 0.55547360E-01-0.73076168E-04 3 0.52076736E-07-0.15046964E-10 0.85647312E+05 0.19179199E+02 4 C6H4-1 C 6H 4 0 0 298.000 5000.000 1000.00 1 0.12715182E+02 0.13839662E-01-0.43765440E-05 0.31541636E-09 0.46619026E-13 2 0.57031148E+05-0.39464600E+02 0.29590225E+00 0.58053318E-01-0.67766756E-04 3 0.43376762E-07-0.11418864E-10 0.60001371E+05 0.22318970E+02 4 C-C6H4 C 6H 4 0 0 298.000 5000.000 1000.00 1 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4 N-C6H5 C 6H 5 0 0 298.000 5000.000 1000.00 1 0.16070068E+02 0.81899539E-02 0.17325165E-05-0.20624185E-08 0.36292345E-12 2 0.64616867E+05-0.56163742E+02-0.61135769E+00 0.65082610E-01-0.78262397E-04 3 0.53030828E-07-0.14946683E-10 0.68805375E+05 0.27635468E+02 4 I-C6H5 C 6H 5 0 0 298.000 5000.000 1000.00 1 0.22501663E+02-0.81009977E-02 0.15955695E-04-0.72310371E-08 0.10310424E-11 2 0.58473410E+05-0.91224777E+02-0.78585434E+00 0.60221825E-01-0.62890264E-04 3 0.36310730E-07-0.87000259E-11 0.64942270E+05 0.28658905E+02 4 C6H6-1 C 6H 6 0 0 298.000 5000.000 1000.00 1 0.10874918E+02 0.23293324E-01-0.94495535E-05 0.16255329E-08-0.84771200E-13 2 0.36224055E+05-0.30326756E+02 0.59114441E-01 0.55723339E-01-0.43485274E-04 3 0.14487391E-07-0.52512541E-12 0.39042688E+05 0.24796795E+02 4 N-C6H7 C 6H 7 0 0 298.000 5000.000 1000.00 1 0.22577469E+02-0.30737517E-02 0.14225234E-04-0.69880848E-08 0.10232874E-11 2 0.41228980E+05-0.91568619E+02 0.13248032E+00 0.57103366E-01-0.43712644E-04 3 0.15538603E-07-0.12976356E-11 0.47730512E+05 0.25339081E+02 4 I-C6H7 C 6H 7 0 0 298.000 5000.000 1000.00 1 0.20481506E+02 0.79439697E-03 0.11450761E-04-0.60991177E-08 0.91756724E-12 2 0.37728426E+05-0.81812073E+02-0.17099094E+01 0.62486034E-01-0.54290707E-04 3 0.26959682E-07-0.58999090E-11 0.44086621E+05 0.33344772E+02 4 C-C6H7 C 6H 7 0 0 298.000 5000.000 1000.00 1 0.19996841E+02 0.11189543E-02 0.11649756E-04-0.62779471E-08 0.94939508E-12 2 0.16730059E+05-0.83746933E+02-0.30328493E+01 0.50804518E-01-0.69150292E-05 3 -0.29715974E-07 0.16296353E-10 0.23895383E+05 0.38909180E+02 4 C6H8 C 6H 8 0 0 298.000 5000.000 1000.00 1 0.28481979E+02-0.15702948E-01 0.26771697E-04-0.11780109E-07 0.16573427E-11 2 0.93346445E+04-0.12500226E+03 0.15850439E+01 0.40215142E-01 0.78439543E-05 3 -0.38761325E-07 0.18545207E-10 0.17949613E+05 0.19112625E+02 4 C6H9-2 C 6H 9 0 0 298.000 5000.000 1000.00 1 0.23165919E+02 0.10813608E-01-0.17638168E-05 0.00000000E+00 0.00000000E+00 2 0.11162402E+05-0.98600332E+02 0.31671271E+00 0.52069818E-01-0.21965057E-04 3 0.00000000E+00 0.00000000E+00 0.19926824E+05 0.27879902E+02 4 C6H9-1 C 6H 9 0 0 298.000 5000.000 1000.00 1 0.21786938E+02 0.11894129E-01-0.21209124E-05 0.00000000E+00 0.00000000E+00 2 0.20013752E+05-0.89218982E+02 0.20594889E+01 0.46753513E-01-0.18644505E-04 3 0.00000000E+00 0.00000000E+00 0.27665639E+05 0.20293525E+02 4 C6H10 C 6H 10 0 0 298.000 5000.000 1000.00 1 0.23903966E+02 0.12046216E-01-0.19588306E-05 0.00000000E+00 0.00000000E+00 2 -0.43733937E+04-0.10376594E+03-0.96299362E+00 0.60880377E-01-0.28062414E-04 3 0.00000000E+00 0.00000000E+00 0.45722054E+04 0.32010145E+02 4 C6H5O C 6H 5O 1 0 298.000 5000.000 1000.00 1 0.13833984E+02 0.17618403E-01-0.60696257E-05 0.91988173E-09-0.50449181E-13 2 -0.69212549E+03-0.50392990E+02-0.18219433E+01 0.48122510E-01-0.46792302E-05 3 -0.34018594E-07 0.18649637E-10 0.42429180E+04 0.33526199E+02 4 C6H5OH C 6H 6O 1 0 298.000 5000.000 1000.00 1 0.14912073E+02 0.18378135E-01-0.61983128E-05 0.91983221E-09-0.49209565E-13 2 -0.18375199E+05-0.55924103E+02-0.16956539E+01 0.52271299E-01-0.72024050E-05 3 -0.35859603E-07 0.20449073E-10-0.13284121E+05 0.32542160E+02 4 A1 C 6H 6 0 0 298.000 5000.000 1000.00 1 0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2 0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3 0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4 A1- C 6H 5 0 0 298.000 5000.000 1000.00 1 0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2 0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3 0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4 A1C2H C 8H 6 0 0 298.000 5000.000 1000.00 1 0.24090759E+02 0.78232400E-03 0.11453964E-04-0.61620504E-08 0.93346685E-12 2 0.27429445E+05-0.10499631E+03-0.52645016E+01 0.84511042E-01-0.76597848E-04 3 0.33216978E-07-0.47673063E-11 0.35566242E+05 0.46378815E+02 4 A1C2H- C 8H 5 0 0 298.000 5000.000 1000.00 1 0.12359501E+02 0.25453357E-01-0.10606554E-04 0.18914603E-08-0.10630622E-12 2 0.60930461E+05-0.40900208E+02-0.44495859E+01 0.76995067E-01-0.66617038E-04 3 0.25038682E-07-0.19756601E-11 0.65225926E+05 0.44427948E+02 4 A1C2H* C 8H 5 0 0 298.000 5000.000 1000.00 1 0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2 0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3 -0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4 N-A1C2H2 C 8H 7 0 0 298.000 5000.000 1000.00 1 0.30433151E+02-0.13965182E-01 0.25416972E-04-0.11354174E-07 0.16092050E-11 2 0.35738719E+05-0.13416492E+03-0.44899931E+01 0.78750789E-01-0.62376959E-04 3 0.21952140E-07-0.16960955E-11 0.45902949E+05 0.47980759E+02 4 I-A1C2H2 C 8H 7 0 0 298.000 5000.000 1000.00 1 0.24365524E+02 0.11262144E-02 0.12931670E-04-0.69641146E-08 0.10540145E-11 2 0.33549121E+05-0.10462067E+03-0.25971584E+01 0.63454390E-01-0.20852312E-04 3 -0.22604624E-07 0.15112869E-10 0.41707375E+05 0.37893417E+02 4 C C 1 0 0 0 298.000 5000.000 1000.00 1 0.25769424E+01-0.13903944E-03 0.69481807E-07-0.67414021E-11-0.43389004E-16 2 0.85425220E+05 0.43358122E+01 0.25279476E+01-0.12519400E-03 0.22544496E-06 3 -0.18489024E-09 0.57291741E-13 0.85448374E+05 0.46274790E+01 4 CO C 1O 1 0 0 298.000 5000.000 1000.00 1 0.30250780E+01 0.14426885E-02-0.56308270E-06 0.10185813E-09-0.69109510E-14 2 -0.14268350E+05 0.61082170E+01 0.32624510E+01 0.15119409E-02-0.38817550E-05 3 0.55819440E-08-0.24749510E-11-0.14310539E+05 0.48488970E+01 4 CO2 C 1O 2 0 0 298.000 5000.000 1000.00 1 0.44536230E+01 0.31401680E-02-0.12784105E-05 0.23939960E-09-0.16690333E-13 2 -0.48966960E+05-0.95539590E+00 0.22757240E+01 0.99220720E-02-0.10409113E-04 3 0.68666860E-08-0.21172800E-11-0.48373140E+05 0.10188488E+02 4 H2 H 2 0 0 0 298.000 5000.000 1000.00 1 0.29914230E+01 0.70006440E-03-0.56338280E-07-0.92315780E-11 0.15827519E-14 2 -0.83503400E+03-0.13551101E+01 0.32981240E+01 0.82494410E-03-0.81430150E-06 3 -0.94754340E-10 0.41348720E-12-0.10125209E+04-0.32940940E+01 4 H2O H 2O 1 0 0 298.000 5000.000 1000.00 1 0.26721450E+01 0.30562930E-02-0.87302600E-06 0.12009964E-09-0.63916180E-14 2 -0.29899210E+05 0.68628170E+01 0.33868420E+01 0.34749820E-02-0.63546960E-05 3 0.69685810E-08-0.25065880E-11-0.30208110E+05 0.25902320E+01 4 O2 O 2 0 0 0 298.000 5000.000 1000.00 1 0.36975780E+01 0.61351970E-03-0.12588420E-06 0.17752810E-10-0.11364354E-14 2 -0.12339301E+04 0.31891650E+01 0.32129360E+01 0.11274864E-02-0.57561500E-06 3 0.13138773E-08-0.87685540E-12-0.10052490E+04 0.60347370E+01 4 AR AR 1 0 0 0 298.000 5000.000 1000.00 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.74537500E+03 0.43660000E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.74537500E+03 0.43660000E+01 4 N2 N 2 0 0 0 298.000 5000.000 1000.00 1 0.29266400E+01 0.14879768E-02-0.56847600E-06 0.10097038E-09-0.67533510E-14 2 -0.92279770E+03 0.59805280E+01 0.32986770E+01 0.14082404E-02-0.39632220E-05 3 0.56415150E-08-0.24448540E-11-0.10208999E+04 0.39503720E+01 4 HOCH2O C 1H 3O 2 0 298.000 5000.000 1452.00 1 0.63952152E+01 0.74367304E-02-0.25042235E-05 0.38487971E-09-0.22177869E-13 2 -0.22555776E+05-0.66386558E+01 0.41118315E+01 0.75385070E-02 0.37733737E-05 3 -0.53874600E-08 0.14561589E-11-0.21247192E+05 0.74680725E+01 4 HOCHO C 1H 2O 2 0 298.000 5000.000 1376.00 1 0.66873301E+01 0.51428937E-02-0.18223851E-05 0.28971916E-09-0.17089220E-13 2 -0.48399540E+05-0.11310480E+02 0.14354818E+01 0.16336302E-01-0.10625742E-04 3 0.33213298E-08-0.40217610E-12-0.46461650E+05 0.17288580E+02 4 OCHO C 1H 1O 2 0 298.000 5000.000 1690.00 1 0.61262878E+01 0.37560293E-02-0.14201035E-05 0.23642920E-09-0.14416765E-13 2 -0.21769847E+05-0.80157469E+01 0.13521345E+01 0.15008200E-01-0.10989614E-04 3 0.37367984E-08-0.48101450E-12-0.20225365E+05 0.17437315E+02 4 O2CHO C 1H 1O 3 0 298.000 5000.000 1368.00 1 0.72407514E+01 0.46331295E-02-0.16369400E-05 0.25970669E-09-0.15296470E-13 2 -0.18702762E+05-0.64954721E+01 0.39605931E+01 0.10600228E-01-0.52571335E-05 3 0.10171673E-08-0.28748760E-13-0.17359938E+05 0.11780748E+02 4 HO2CHO C 1H 2O 3 0 298.000 5000.000 1378.00 1 0.98750388E+01 0.46466371E-02-0.16723052E-05 0.26862441E-09-0.15959523E-13 2 -0.38050250E+05-0.22493915E+02 0.24246473E+01 0.21970638E-01-0.16870555E-04 3 0.62561219E-08-0.91164584E-12-0.35482801E+05 0.17502780E+02 4 C2H5O2 C 2H 5O 2 0 298.000 5000.000 1388.00 1 0.95109271E+01 0.12267690E-01-0.42236445E-05 0.65847499E-09-0.38309521E-13 2 -0.67603595E+04-0.22341060E+02 0.17795051E+01 0.30493809E-01-0.21637621E-04 3 0.86890630E-08-0.15178846E-11-0.39910197E+04 0.19291950E+02 4 C2H5O2H C 2H 6O 2 0 298.000 5000.000 1387.00 1 0.11943414E+02 0.12531801E-01-0.43630668E-05 0.68547548E-09-0.40100103E-13 2 -0.26058360E+05-0.36182408E+02 0.91955424E+00 0.38624336E-01-0.28658980E-04 3 0.11308337E-07-0.18697542E-11-0.22207071E+05 0.22998235E+02 4 C2H4O1-2 C 2H 4O 1 0 298.000 5000.000 1372.00 1 0.83479596E+01 0.81580138E-02-0.29046899E-05 0.46327239E-09-0.27388108E-13 2 -0.10563481E+05-0.23849730E+02-0.80422671E+00 0.26999122E-01-0.16549275E-04 3 0.43823185E-08-0.34770882E-12-0.71536830E+04 0.26168001E+02 4 C2H4O2H C 2H 5O 2 0 298.000 5000.000 1396.00 1 0.11626043E+02 0.10082635E-01-0.34793436E-05 0.54339422E-09-0.31656929E-13 2 -0.91081520E+03-0.31853571E+02 0.81323780E+00 0.39006340E-01-0.34064386E-04 3 0.15506623E-07-0.28406984E-11 0.25078579E+04 0.24968446E+02 4 N-C3H7O2 C 3H 7O 2 0 298.000 5000.000 1388.00 1 0.12723278E+02 0.16733681E-01-0.57594318E-05 0.89776949E-09-0.52227506E-13 2 -0.10881907E+05-0.38197823E+02 0.15630171E+01 0.42619270E-01-0.29661508E-04 3 0.11418733E-07-0.18989447E-11-0.68808638E+04 0.21984293E+02 4 N-C3H7O C 3H 7O 1 0 298.000 5000.000 1390.00 1 0.10703220E+02 0.16090854E-01-0.54880542E-05 0.85042983E-09-0.49275537E-13 2 -0.10140564E+05-0.31305992E+02-0.59583847E+00 0.41045083E-01-0.26334032E-04 3 0.87263829E-08-0.11911504E-11-0.60456963E+04 0.29932896E+02 4 N-C3H7O2H C 3H 8O 2 0 298.000 5000.000 1388.00 1 0.15065715E+02 0.17086560E-01-0.59318393E-05 0.93013667E-09-0.54338494E-13 2 -0.30137295E+05-0.51506744E+02 0.78352575E+00 0.50482622E-01-0.36508994E-04 3 0.14037775E-07-0.22673716E-11-0.25110557E+05 0.25304118E+02 4 I-C3H7O2 C 3H 7O 2 0 298.000 5000.000 1392.00 1 0.13261316E+02 0.16250108E-01-0.55863180E-05 0.87005747E-09-0.50584947E-13 2 -0.13194058E+05-0.42104166E+02 0.10349545E+01 0.46994237E-01-0.36652552E-04 3 0.15708417E-07-0.28195612E-11-0.90634482E+04 0.22956692E+02 4 I-C3H7O2H C 3H 8O 2 0 298.000 5000.000 1392.00 1 0.15670458E+02 0.16533216E-01-0.57319535E-05 0.89798010E-09-0.52426902E-13 2 -0.32477278E+05-0.55799896E+02 0.17254498E+00 0.55202809E-01-0.43879849E-04 3 0.18489935E-07-0.32117957E-11-0.27280718E+05 0.26661517E+02 4 I-C3H7O C 3H 7O 1 0 298.000 5000.000 1396.00 1 0.11126553E+02 0.15840752E-01-0.54239159E-05 0.84256009E-09-0.48898874E-13 2 -0.12421333E+05-0.34596883E+02-0.96961560E+00 0.44845515E-01-0.32647982E-04 3 0.12742094E-07-0.20797934E-11-0.82542004E+04 0.30169799E+02 4 C2H5CO C 3H 5O 1 0 298.000 5000.000 1373.00 1 0.98788200E+01 0.11751568E-01-0.40061492E-05 0.62085062E-09-0.35983523E-13 2 -0.84729228E+04-0.24923520E+02 0.29331395E+01 0.24742791E-01-0.12122200E-04 3 0.23470105E-08-0.52684334E-13-0.56966306E+04 0.13595835E+02 4 C2H5CHO C 3H 6O 1 0 298.000 5000.000 1378.00 1 0.10242769E+02 0.13964199E-01-0.47624800E-05 0.73810571E-09-0.42775950E-13 2 -0.27414314E+05-0.28534684E+02 0.21630844E+01 0.29550126E-01-0.15244625E-04 3 0.34950395E-08-0.23889663E-12-0.24226014E+05 0.16115335E+02 4 C2H3CHO C 3H 4O 1 0 298.000 5000.000 1393.00 1 0.10418496E+02 0.94896332E-02-0.32931053E-05 0.51627920E-09-0.30158729E-13 2 -0.14963028E+05-0.30723506E+02 0.29235516E+00 0.35432142E-01-0.29493632E-04 3 0.12810012E-07-0.22614411E-11-0.11652158E+05 0.22887828E+02 4 C2H3CO C 3H 3O 1 0 298.000 5000.000 1393.00 1 0.99950531E+01 0.73462322E-02-0.25637022E-05 0.40346227E-09-0.23631733E-13 2 0.40052216E+04-0.26767402E+02 0.10514359E+01 0.30693297E-01-0.26556037E-04 3 0.11818399E-07-0.21158981E-11 0.68787955E+04 0.20417349E+02 4 CH3COCH3 C 3H 6O 1 0 298.000 5000.000 1374.00 1 0.99142198E+01 0.14603071E-01-0.50608576E-05 0.79268285E-09-0.46273964E-13 2 -0.31116742E+05-0.28611321E+02 0.13076716E+01 0.29202174E-01-0.11904562E-04 3 0.65215009E-09 0.46775120E-12-0.27532827E+05 0.19639502E+02 4 NEOC5H11 C 5H 11 0 0 298.000 5000.000 1396.00 1 0.16623839E+02 0.22703788E-01-0.77162483E-05 0.11928985E-08-0.69006060E-13 2 -0.39646375E+04-0.66262836E+02-0.15814013E+01 0.65717507E-01-0.46812031E-04 3 0.17473279E-07-0.26870993E-11 0.23093374E+04 0.31338029E+02 4 I-C4H9 C 4H 9 0 0 298.000 5000.000 1393.00 1 0.12275316E+02 0.19517401E-01-0.66877300E-05 0.10393519E-08-0.60337450E-13 2 0.19239536E+04-0.41582756E+02-0.10083747E+01 0.50108700E-01-0.34194121E-04 3 0.12602578E-07-0.19755205E-11 0.66555791E+04 0.30038620E+02 4 T-C4H9 C 4H 9 0 0 298.000 5000.000 1381.00 1 0.99438211E+01 0.21669308E-01-0.74700141E-05 0.11657845E-08-0.67879183E-13 2 -0.18969362E+03-0.28869229E+02-0.27372920E+01 0.45539034E-01-0.22639094E-04 3 0.45695105E-08-0.15532179E-12 0.48713889E+04 0.41414488E+02 4 I-C4H8 C 4H 8 0 0 298.000 5000.000 1388.00 1 0.11225833E+02 0.18179580E-01-0.62034859E-05 0.96144446E-09-0.55708806E-13 2 -0.76998378E+04-0.37330670E+02 0.93843317E+00 0.39054729E-01-0.21643715E-04 3 0.58726708E-08-0.61443548E-12-0.37481789E+04 0.19144299E+02 4 I-C4H7 C 4H 7 0 0 298.000 5000.000 1393.00 1 0.11638275E+02 0.15768130E-01-0.53853886E-05 0.83517293E-09-0.48414108E-13 2 0.10547164E+05-0.39025989E+02-0.72088170E-03 0.43649573E-01-0.31638588E-04 3 0.12398498E-07-0.20437836E-11 0.14571779E+05 0.23323434E+02 4 I-C3H7CHO C 4H 8O 1 0 298.000 5000.000 1391.00 1 0.13750166E+02 0.18312672E-01-0.62857263E-05 0.97825076E-09-0.56853865E-13 2 -0.32693677E+05-0.47727055E+02-0.27302138E+00 0.48969631E-01-0.31277005E-04 3 0.10005295E-07-0.12751207E-11-0.27605474E+05 0.28345114E+02 4 I-C3H5CHO C 4H 6O 1 0 298.000 5000.000 1396.00 1 0.13620396E+02 0.13791719E-01-0.47337012E-05 0.73665523E-09-0.42009797E-13 2 -0.20002527E+05-0.47318453E+02 0.62718379E+00 0.46678025E-01-0.37443063E-04 3 0.15833054E-07-0.27395216E-11-0.15720312E+05 0.21603429E+02 4 I-C3H6CHO C 4H 7O 1 0 298.000 5000.000 1390.00 1 0.13310225E+02 0.16209796E-01-0.55757589E-05 0.86900372E-09-0.50555420E-13 2 -0.76217793E+04-0.42505085E+02 0.52148177E+00 0.44311436E-01-0.28661731E-04 3 0.93031989E-08-0.12076156E-11-0.29967709E+04 0.26818213E+02 4 CH3COCH2 C 3H 5O 1 0 298.000 5000.000 1391.00 1 0.10230398E+02 0.11649416E-01-0.40100554E-05 0.62520525E-09-0.36378436E-13 2 -0.84438046E+04-0.27919722E+02 0.18033919E+01 0.30140708E-01-0.19350555E-04 3 0.63819903E-08-0.86610318E-12-0.53723326E+04 0.17804641E+02 4 NEOC5H12 C 5H 12 0 0 298.000 5000.000 1397.00 1 0.17448930E+02 0.24546238E-01-0.83518248E-05 0.12921971E-08-0.74794285E-13 2 -0.29238033E+05-0.75417394E+02-0.28837277E+01 0.72241769E-01-0.51110617E-04 3 0.18734241E-07-0.28062831E-11-0.22217107E+05 0.33676546E+02 4 I-C4H10 C 4H 10 0 0 298.000 5000.000 1389.00 1 0.12573311E+02 0.21892642E-01-0.75253835E-05 0.11720550E-08-0.68144668E-13 2 -0.23169675E+05-0.46804426E+02-0.10127751E+01 0.50468318E-01-0.30050207E-04 3 0.91543558E-08-0.11532668E-11-0.18049570E+05 0.27425687E+02 4 I-C4H9O2 C 4H 9O 2 0 298.000 5000.000 1387.00 1 0.15974122E+02 0.21353474E-01-0.73900110E-05 0.11562441E-08-0.67440805E-13 2 -0.17232930E+05-0.56530241E+02 0.12143429E+01 0.54538831E-01-0.36700159E-04 3 0.13413104E-07-0.21174179E-11-0.11848245E+05 0.23415305E+02 4 I-C4H9O2H C 4H 10O 2 0 298.000 5000.000 1388.00 1 0.18430879E+02 0.21533761E-01-0.74862397E-05 0.11749924E-08-0.68689079E-13 2 -0.35148328E+05-0.70803085E+02 0.24418190E+00 0.63402784E-01-0.44916238E-04 3 0.16740688E-07-0.26121648E-11-0.28695981E+05 0.27215623E+02 4 I-C4H9O C 4H 9O 1 0 298.000 5000.000 1393.00 1 0.14441021E+02 0.20023638E-01-0.68212348E-05 0.10561966E-08-0.61165675E-13 2 -0.15388118E+05-0.51222653E+02-0.73514448E+00 0.54749686E-01-0.37185899E-04 3 0.13172831E-07-0.19276215E-11-0.10028621E+05 0.30567718E+02 4 T-C4H9O2 C 4H 9O 2 0 298.000 5000.000 1388.00 1 0.16706156E+02 0.20732778E-01-0.71759617E-05 0.11228247E-08-0.65494139E-13 2 -0.20404692E+05-0.63555861E+02 0.10874258E+01 0.58278071E-01-0.43329270E-04 3 0.17689254E-07-0.30676961E-11-0.14945664E+05 0.20187196E+02 4 T-C4H9O2H C 4H 10O 2 0 298.000 5000.000 1390.00 1 0.19161704E+02 0.20915725E-01-0.72734682E-05 0.11418099E-08-0.66757713E-13 2 -0.38320169E+05-0.77823087E+02 0.11450593E+00 0.67150785E-01-0.51557841E-04 3 0.21025637E-07-0.35646702E-11-0.31792873E+05 0.24001103E+02 4 T-C4H9O C 4H 9O 1 0 298.000 5000.000 1394.00 1 0.15039898E+02 0.19625585E-01-0.67066428E-05 0.10405382E-08-0.60339834E-13 2 -0.19024390E+05-0.56652394E+02-0.77046407E+00 0.58192666E-01-0.43619792E-04 3 0.17494222E-07-0.29183604E-11-0.13650281E+05 0.27757651E+02 4 I-C4H8O C 4H 8O 1 0 298.000 5000.000 1399.00 1 0.14462483E+02 0.18056286E-01-0.61800879E-05 0.95994134E-09-0.55713230E-13 2 -0.23023062E+05-0.56119017E+02-0.29737374E+01 0.62461864E-01-0.50434821E-04 3 0.21334536E-07-0.36738282E-11-0.17327432E+05 0.36233636E+02 4 I-C4H7O C 4H 7O 1 0 298.000 5000.000 1386.00 1 0.13345762E+02 0.16121859E-01-0.54437640E-05 0.83819937E-09-0.48360828E-13 2 0.61144364E+03-0.43681884E+02 0.17470069E+01 0.40778344E-01-0.24475024E-04 3 0.70650296E-08-0.75157059E-12 0.48697923E+04 0.19453600E+02 4 I-C4H7OH C 4H 8O 1 0 298.000 5000.000 1384.00 1 0.13504342E+02 0.17864697E-01-0.59930437E-05 0.91871764E-09-0.52843530E-13 2 -0.25825569E+05-0.44464571E+02 0.16909990E+01 0.42716889E-01-0.24928169E-04 3 0.70096152E-08-0.72326283E-12-0.21451233E+05 0.19950083E+02 4 I-C4H6OH C 4H 7O 1 0 298.000 5000.000 1390.00 1 0.14031093E+02 0.15531754E-01-0.53275496E-05 0.82878590E-09-0.48154526E-13 2 -0.76937823E+04-0.47655531E+02 0.86337123E+00 0.46871128E-01-0.34358034E-04 3 0.13303105E-07-0.21391498E-11-0.31494830E+04 0.22907552E+02 4 CH2CCH2OH C 3H 5O 1 0 298.000 5000.000 1372.00 1 0.97070203E+01 0.11397266E-01-0.37799396E-05 0.57520928E-09-0.32922913E-13 2 0.91321288E+04-0.22501293E+02 0.28842254E+01 0.24242807E-01-0.11415227E-04 3 0.17177533E-08 0.14217745E-12 0.11793561E+05 0.15210233E+02 4 I-C8H18 C 8H 18 0 0 298.000 5000.000 1396.00 1 0.27137359E+02 0.37900489E-01-0.12943736E-04 0.20076037E-08-0.11640058E-12 2 -0.40795818E+05-0.12327750E+03-0.42086889E+01 0.11144058E+00-0.79134658E-04 3 0.29240624E-07-0.44374319E-11-0.29944688E+05 0.44952170E+02 4 A-C8H17 C 8H 17 0 0 298.000 5000.000 1396.00 1 0.26706978E+02 0.35766060E-01-0.12217870E-04 0.18953663E-08-0.10990784E-12 2 -0.15722969E+05-0.11700111E+03-0.34194474E+01 0.10680319E+00-0.76541156E-04 3 0.28534168E-07-0.43647865E-11-0.53351420E+04 0.44547173E+02 4 C-C8H17 C 8H 17 0 0 298.000 5000.000 1393.00 1 0.26456918E+02 0.35542075E-01-0.12052098E-04 0.18608936E-08-0.10757189E-12 2 -0.17039279E+05-0.11624551E+03-0.30910426E+01 0.10231890E+00-0.68485887E-04 3 0.23018394E-07-0.30701308E-11-0.66282907E+04 0.43117393E+02 4 E-C8H17 C 8H 17 0 0 298.000 5000.000 1390.00 1 0.25149716E+02 0.37109684E-01-0.12685448E-04 0.19687343E-08-0.11419389E-12 2 -0.18276179E+05-0.10905683E+03-0.97315970E-01 0.89265372E-01-0.51287381E-04 3 0.13764053E-07-0.12778840E-11-0.88114730E+04 0.28979190E+02 4 E-C8H17 C 8H 17 0 0 298.000 5000.000 1396.00 1 0.26706978E+02 0.35766060E-01-0.12217870E-04 0.18953663E-08-0.10990784E-12 2 -0.16125586E+05-0.11809825E+03-0.34194474E+01 0.10680319E+00-0.76541156E-04 3 0.28534168E-07-0.43647865E-11-0.57377590E+04 0.43450041E+02 4 C-C8H16 C 8H 16 0 0 298.000 5000.000 1394.00 1 0.25675675E+02 0.34180200E-01-0.11600295E-04 0.17919548E-08-0.10361300E-12 2 -0.26245832E+05-0.11392827E+03-0.27961045E+01 0.10083617E+00-0.71225065E-04 3 0.26065982E-07-0.39003181E-11-0.16400250E+05 0.38885407E+02 4 E-C8H16 C 8H 16 0 0 298.000 5000.000 1397.00 1 0.26010153E+02 0.33970324E-01-0.11542245E-04 0.17842281E-08-0.10321220E-12 2 -0.26517453E+05-0.11535919E+03-0.33186212E+01 0.10431530E+00-0.76476301E-04 3 0.29216922E-07-0.45691386E-11-0.16544825E+05 0.41454825E+02 4 I-A-C7H14 C 7H 14 0 0 298.000 5000.000 1392.00 1 0.21016403E+02 0.31521460E-01-0.10807395E-04 0.16804019E-08-0.97589231E-13 2 -0.21211705E+05-0.86381878E+02-0.13308150E+01 0.82108235E-01-0.54912330E-04 3 0.19428495E-07-0.28888654E-11-0.13202138E+05 0.34354975E+02 4 I-B-C7H14 C 7H 14 0 0 298.000 5000.000 1392.00 1 0.20507432E+02 0.31964417E-01-0.10961878E-04 0.17046374E-08-0.99003612E-13 2 -0.22394561E+05-0.83926656E+02-0.84223265E+00 0.78979830E-01-0.50457448E-04 3 0.16893405E-07-0.23720199E-11-0.14597154E+05 0.31909619E+02 4 T-C-C7H14 C 7H 14 0 0 298.000 5000.000 1395.00 1 0.22488702E+02 0.29673840E-01-0.10047988E-04 0.15499321E-08-0.89533832E-13 2 -0.22399882E+05-0.97439498E+02-0.33153200E+01 0.90553971E-01-0.64836012E-04 3 0.23927406E-07-0.35891942E-11-0.13550917E+05 0.40843934E+02 4 T-E-C7H14 C 7H 14 0 0 298.000 5000.000 1398.00 1 0.22818057E+02 0.29477708E-01-0.99964683E-05 0.15433899E-08-0.89208038E-13 2 -0.21513875E+05-0.98851011E+02-0.38185141E+01 0.93938053E-01-0.69939094E-04 3 0.26989775E-07-0.42395922E-11-0.12540648E+05 0.43320728E+02 4 I-A-C7H15 C 7H 15 0 0 298.000 5000.000 1391.00 1 0.21844243E+02 0.33097051E-01-0.11385551E-04 0.17742805E-08-0.10320321E-12 2 -0.11622105E+05-0.89848098E+02-0.14879278E+01 0.84793503E-01-0.55147755E-04 3 0.18756135E-07-0.26696613E-11-0.31404911E+04 0.36619499E+02 4 I-B-C7H15 C 7H 15 0 0 298.000 5000.000 1384.00 1 0.20458147E+02 0.34307636E-01-0.11810263E-04 0.18412961E-08-0.10713381E-12 2 -0.13497877E+05-0.81821226E+02 0.13089711E+01 0.69613644E-01-0.33115006E-04 3 0.58288826E-08 0.35442731E-13-0.57851251E+04 0.24565824E+02 4 I-C-C7H15 C 7H 15 0 0 298.000 5000.000 1388.00 1 0.21412502E+02 0.33172189E-01-0.11349986E-04 0.17625644E-08-0.10227905E-12 2 -0.12866510E+05-0.86973804E+02-0.12041179E+01 0.80560182E-01-0.47571019E-04 3 0.13621327E-07-0.14730190E-11-0.44279776E+04 0.36489237E+02 4 T-C-C7H15 C 7H 15 0 0 298.000 5000.000 1390.00 1 0.23366741E+02 0.30731956E-01-0.10350811E-04 0.15913752E-08-0.91731056E-13 2 -0.13769538E+05-0.99621201E+02-0.21968183E+01 0.87313408E-01-0.56369070E-04 3 0.17763555E-07-0.21289935E-11-0.46793708E+04 0.38615347E+02 4 T-E-C7H15 C 7H 15 0 0 298.000 5000.000 1390.00 1 0.23366741E+02 0.30731956E-01-0.10350811E-04 0.15913752E-08-0.91731056E-13 2 -0.13769538E+05-0.99621201E+02-0.21968183E+01 0.87313408E-01-0.56369070E-04 3 0.17763555E-07-0.21289935E-11-0.46793708E+04 0.38615347E+02 4 T-E-C7H15 C 7H 15 0 0 298.000 5000.000 1397.00 1 0.23512817E+02 0.31037154E-01-0.10539396E-04 0.16285966E-08-0.94186083E-13 2 -0.12383975E+05-0.10083263E+03-0.26877864E+01 0.92642658E-01-0.65833547E-04 3 0.24175810E-07-0.36182083E-11-0.33645391E+04 0.39672357E+02 4 I-B-C6H12 C 6H 12 0 0 298.000 5000.000 1389.00 1 0.17319497E+02 0.27314346E-01-0.93282540E-05 0.14466370E-08-0.83861924E-13 2 -0.17253685E+05-0.66770840E+02 0.66123676E-02 0.64101665E-01-0.38505202E-04 3 0.11759822E-07-0.14621829E-11-0.10802194E+05 0.27629436E+02 4 I-C-C6H12 C 6H 12 0 0 298.000 5000.000 1362.00 1 0.21756264E+02 0.25172543E-01-0.89608276E-05 0.14288781E-08-0.84458701E-13 2 -0.25852943E+05-0.93550735E+02-0.32627224E+00 0.65184103E-01-0.31563236E-04 3 0.44177747E-08 0.48616512E-12-0.16958838E+05 0.29272877E+02 4 T-C6H12 C 6H 12 0 0 298.000 5000.000 1398.00 1 0.19701290E+02 0.24928297E-01-0.84326715E-05 0.12998994E-08-0.75055789E-13 2 -0.16932490E+05-0.83561932E+02-0.35689899E+01 0.81666528E-01-0.61585325E-04 3 0.24014273E-07-0.38004141E-11-0.91483135E+04 0.40471101E+02 4 I-B-C6H13 C 6H 13 0 0 298.000 5000.000 1381.00 1 0.16984219E+02 0.29943799E-01-0.10282938E-04 0.16005160E-08-0.93015211E-13 2 -0.80938924E+04-0.62977990E+02 0.24148189E+01 0.53710106E-01-0.20089508E-04 3 0.23881197E-09 0.10169400E-11-0.19040120E+04 0.19083246E+02 4 I-C-C6H13 C 6H 13 0 0 298.000 5000.000 1385.00 1 0.18224168E+02 0.28488487E-01-0.96980061E-05 0.15010513E-08-0.86908291E-13 2 -0.75841381E+04-0.69780926E+02-0.39031685E+00 0.65953205E-01-0.36109559E-04 3 0.87947391E-08-0.62730152E-12-0.50504538E+03 0.32347095E+02 4 I-E-C6H13 C 6H 13 0 0 298.000 5000.000 1385.00 1 0.18224168E+02 0.28488487E-01-0.96980061E-05 0.15010513E-08-0.86908291E-13 2 -0.75841381E+04-0.69780926E+02-0.39031685E+00 0.65953205E-01-0.36109559E-04 3 0.87947391E-08-0.62730152E-12-0.50504538E+03 0.32347095E+02 4 T-C-C6H13 C 6H 13 0 0 298.000 5000.000 1390.00 1 0.20098309E+02 0.26427308E-01-0.88943092E-05 0.13667997E-08-0.78761286E-13 2 -0.96432489E+04-0.83492553E+02-0.19282245E+01 0.74967948E-01-0.48027234E-04 3 0.14896390E-07-0.17320141E-11-0.17978288E+04 0.35678769E+02 4 T-E-C6H13 C 6H 13 0 0 298.000 5000.000 1397.00 1 0.20263424E+02 0.26737979E-01-0.90898449E-05 0.14056548E-08-0.81334297E-13 2 -0.82792057E+04-0.84842782E+02-0.23660655E+01 0.79956166E-01-0.56880964E-04 3 0.20910756E-07-0.31336036E-11-0.48833000E+03 0.36510959E+02 4 I-A-C5H11 C 5H 11 0 0 298.000 5000.000 1389.00 1 0.15381875E+02 0.24114104E-01-0.82784758E-05 0.12883186E-08-0.74864919E-13 2 -0.18429613E+04-0.56490764E+02-0.59240940E+00 0.58673495E-01-0.36598111E-04 3 0.11841254E-07-0.15984582E-11 0.40597072E+04 0.30411549E+02 4 I-B-C5H11 C 5H 11 0 0 298.000 5000.000 1378.00 1 0.13907314E+02 0.25424989E-01-0.87428937E-05 0.13620271E-08-0.79204116E-13 2 -0.36838705E+04-0.47961904E+02 0.24290106E+01 0.42440732E-01-0.13056225E-04 3 -0.19762113E-08 0.12952918E-11 0.13832676E+04 0.17327948E+02 4 I-C-C5H11 C 5H 11 0 0 298.000 5000.000 1384.00 1 0.14969431E+02 0.24164636E-01-0.82335111E-05 0.12751088E-08-0.73854819E-13 2 -0.30968107E+04-0.53731373E+02-0.12402708E+00 0.53608131E-01-0.27753210E-04 3 0.59109136E-08-0.22558414E-12 0.27444570E+04 0.29423023E+02 4 I-E-C5H11 C 5H 11 0 0 298.000 5000.000 1389.00 1 0.15381875E+02 0.24114104E-01-0.82784758E-05 0.12883186E-08-0.74864919E-13 2 -0.18429613E+04-0.56490764E+02-0.59240940E+00 0.58673495E-01-0.36598111E-04 3 0.11841254E-07-0.15984582E-11 0.40597072E+04 0.30411549E+02 4 I-A-C5H10 C 5H 10 0 0 298.000 5000.000 1391.00 1 0.14561409E+02 0.22537054E-01-0.77010006E-05 0.11946787E-08-0.69270481E-13 2 -0.11800452E+05-0.53065196E+02-0.27663060E+00 0.55353928E-01-0.35449962E-04 3 0.11962685E-07-0.16987824E-11-0.63954730E+04 0.27391158E+02 4 I-B-C5H10 C 5H 10 0 0 298.000 5000.000 1385.00 1 0.13994544E+02 0.22944658E-01-0.78259415E-05 0.12126023E-08-0.70251846E-13 2 -0.13157694E+05-0.50408385E+02 0.12027415E+01 0.47887211E-01-0.24814477E-04 3 0.57351436E-08-0.39126668E-12-0.81521233E+04 0.20159258E+02 4 I-C-C5H10 C 5H 10 0 0 298.000 5000.000 1393.00 1 0.14649191E+02 0.22542206E-01-0.77205300E-05 0.11995860E-08-0.69631774E-13 2 -0.11165233E+05-0.54225229E+02-0.18368560E+01 0.60770947E-01-0.42159258E-04 3 0.15610397E-07-0.24314277E-11-0.53486428E+04 0.34520354E+02 4 A-C8H17O2 C 8H 17O 2 0 298.000 5000.000 1393.00 1 0.30281596E+02 0.37872907E-01-0.13046838E-04 0.20352421E-08-0.11847127E-12 2 -0.34803246E+05-0.13164704E+03-0.17861407E+01 0.11475490E+00-0.85060472E-04 3 0.33404094E-07-0.54517323E-11-0.23774206E+05 0.40027551E+02 4 C-C8H17O2 C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.30935161E+02 0.37410256E-01-0.12907097E-04 0.20154485E-08-0.11739891E-12 2 -0.37745775E+05-0.13673080E+03-0.30700236E+01 0.12264044E+00-0.97220276E-04 3 0.40912763E-07-0.70910255E-11-0.26401431E+05 0.44034569E+02 4 E-C8H17O2 C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.30972169E+02 0.37336608E-01-0.12872418E-04 0.20090746E-08-0.11698907E-12 2 -0.37964885E+05-0.13845645E+03-0.18014377E+01 0.11803051E+00-0.91063097E-04 3 0.37348036E-07-0.63399931E-11-0.26889205E+05 0.36271642E+02 4 E-C8H17O2 C 8H 17O 2 0 298.000 5000.000 1393.00 1 0.30281596E+02 0.37872907E-01-0.13046838E-04 0.20352421E-08-0.11847127E-12 2 -0.34803246E+05-0.13274417E+03-0.17861407E+01 0.11475490E+00-0.85060472E-04 3 0.33404094E-07-0.54517323E-11-0.23774206E+05 0.38930420E+02 4 A-OOH-I-OCT-A C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.32273367E+02 0.36003591E-01-0.12458464E-04 0.19494226E-08-0.11372242E-12 2 -0.28044339E+05-0.14057105E+03-0.18490073E+01 0.11847038E+00-0.89960913E-04 3 0.35628367E-07-0.57974315E-11-0.16433126E+05 0.41771729E+02 4 AAEEOOH-I-OCT C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.32273367E+02 0.36003591E-01-0.12458464E-04 0.19494226E-08-0.11372242E-12 2 -0.28044339E+05-0.14057105E+03-0.18490073E+01 0.11847038E+00-0.89960913E-04 3 0.35628367E-07-0.57974315E-11-0.16433126E+05 0.41771729E+02 4 ACECOOH-I-OCT C 8H 17O 2 0 298.000 5000.000 1390.00 1 0.32551094E+02 0.34798673E-01-0.11844459E-04 0.18341588E-08-0.10626325E-12 2 -0.29511989E+05-0.14156826E+03-0.20691273E+01 0.11614214E+00-0.84402673E-04 3 0.31068940E-07-0.45988030E-11-0.17638345E+05 0.44029285E+02 4 A-OOH-I-OCT-C C 8H 17O 2 0 298.000 5000.000 1390.00 1 0.32551094E+02 0.34798673E-01-0.11844459E-04 0.18341588E-08-0.10626325E-12 2 -0.29511989E+05-0.14156826E+03-0.20691273E+01 0.11614214E+00-0.84402673E-04 3 0.31068940E-07-0.45988030E-11-0.17638345E+05 0.44029285E+02 4 A-OOH-I-OCT-D C 8H 17O 2 0 298.000 5000.000 1389.00 1 0.30726278E+02 0.37327865E-01-0.12917108E-04 0.20211692E-08-0.11790514E-12 2 -0.29844720E+05-0.13158407E+03 0.13782256E+01 0.10136355E+00-0.65350299E-04 3 0.21248681E-07-0.27945265E-11-0.19140462E+05 0.27738376E+02 4 A-OOH-I-OCT-E C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.32273367E+02 0.36003591E-01-0.12458464E-04 0.19494226E-08-0.11372242E-12 2 -0.28044339E+05-0.14057105E+03-0.18490073E+01 0.11847038E+00-0.89960913E-04 3 0.35628367E-07-0.57974315E-11-0.16433126E+05 0.41771729E+02 4 AEEAOOH-I-OCT C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.32273367E+02 0.36003591E-01-0.12458464E-04 0.19494226E-08-0.11372242E-12 2 -0.28044339E+05-0.14057105E+03-0.18490073E+01 0.11847038E+00-0.89960913E-04 3 0.35628367E-07-0.57974315E-11-0.16433126E+05 0.41771729E+02 4 C-OOH-I-OCT-A C 8H 17O 2 0 298.000 5000.000 1395.00 1 0.32964979E+02 0.35452153E-01-0.12276070E-04 0.19217560E-08-0.11214367E-12 2 -0.30596625E+05-0.14476013E+03-0.32220787E+01 0.12663563E+00-0.10242671E-03 3 0.43255771E-07-0.74499010E-11-0.18641100E+05 0.47318249E+02 4 CACEOOH-I-OCT C 8H 17O 2 0 298.000 5000.000 1395.00 1 0.32964979E+02 0.35452153E-01-0.12276070E-04 0.19217560E-08-0.11214367E-12 2 -0.30596625E+05-0.14476013E+03-0.32220787E+01 0.12663563E+00-0.10242671E-03 3 0.43255771E-07-0.74499010E-11-0.18641100E+05 0.47318249E+02 4 C-OOH-I-OCT-D C 8H 17O 2 0 298.000 5000.000 1390.00 1 0.31764152E+02 0.36499253E-01-0.12643844E-04 0.19798924E-08-0.11555967E-12 2 -0.32568311E+05-0.13893521E+03 0.45020299E+00 0.10713937E+00-0.73179789E-04 3 0.25522755E-07-0.36360120E-11-0.21409642E+05 0.30186420E+02 4 C-OOH-I-OCT-E C 8H 17O 2 0 298.000 5000.000 1395.00 1 0.32964979E+02 0.35452153E-01-0.12276070E-04 0.19217560E-08-0.11214367E-12 2 -0.30596625E+05-0.14585726E+03-0.32220787E+01 0.12663563E+00-0.10242671E-03 3 0.43255771E-07-0.74499010E-11-0.18641100E+05 0.46221118E+02 4 E-OOH-I-OCT-A C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.33025276E+02 0.35344185E-01-0.12226372E-04 0.19127095E-08-0.11156502E-12 2 -0.30818925E+05-0.14660704E+03-0.20575127E+01 0.12256580E+00-0.97104392E-04 3 0.40204621E-07-0.68100295E-11-0.19115453E+05 0.40019746E+02 4 E-OOH-I-OCT-C C 8H 17O 2 0 298.000 5000.000 1391.00 1 0.33160809E+02 0.34440043E-01-0.11752434E-04 0.18228243E-08-0.10571766E-12 2 -0.32252062E+05-0.14795729E+03-0.21061536E+01 0.11948635E+00-0.90497354E-04 3 0.35112756E-07-0.55194707E-11-0.20346667E+05 0.40379999E+02 4 E-OOH-I-OCT-E C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.33025276E+02 0.35344185E-01-0.12226372E-04 0.19127095E-08-0.11156502E-12 2 -0.30818925E+05-0.14770417E+03-0.20575127E+01 0.12256580E+00-0.97104392E-04 3 0.40204621E-07-0.68100295E-11-0.19115453E+05 0.38922615E+02 4 E-OOH-I-OCT-A C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.32273367E+02 0.36003591E-01-0.12458464E-04 0.19494226E-08-0.11372242E-12 2 -0.27641722E+05-0.14057105E+03-0.18490073E+01 0.11847038E+00-0.89960913E-04 3 0.35628367E-07-0.57974315E-11-0.16030509E+05 0.41771729E+02 4 E-OOH-I-OCT-C C 8H 17O 2 0 298.000 5000.000 1390.00 1 0.32551094E+02 0.34798673E-01-0.11844459E-04 0.18341588E-08-0.10626325E-12 2 -0.29109372E+05-0.14266539E+03-0.20691273E+01 0.11614214E+00-0.84402673E-04 3 0.31068940E-07-0.45988030E-11-0.17235729E+05 0.42932153E+02 4 E-OOH-I-OCT-D C 8H 17O 2 0 298.000 5000.000 1389.00 1 0.30726278E+02 0.37327865E-01-0.12917108E-04 0.20211692E-08-0.11790514E-12 2 -0.29442103E+05-0.13198669E+03 0.13782256E+01 0.10136355E+00-0.65350299E-04 3 0.21248681E-07-0.27945265E-11-0.18737845E+05 0.27335759E+02 4 E-OOH-I-OCT-E C 8H 17O 2 0 298.000 5000.000 1394.00 1 0.32273367E+02 0.36003591E-01-0.12458464E-04 0.19494226E-08-0.11372242E-12 2 -0.27641722E+05-0.14166818E+03-0.18490073E+01 0.11847038E+00-0.89960913E-04 3 0.35628367E-07-0.57974315E-11-0.16030509E+05 0.40674598E+02 4 A-OOH-I-OCTO2-A C 8H 17O 4 0 298.000 5000.000 1391.00 1 0.36079461E+02 0.37749417E-01-0.13129543E-04 0.20614154E-08-0.12053864E-12 2 -0.46814242E+05-0.15652932E+03-0.51356905E+00 0.12749744E+00-0.99678396E-04 3 0.40997676E-07-0.69527985E-11-0.34418928E+05 0.38677606E+02 4 AAEEOOH-I-OCTO2 C 8H 17O 4 0 298.000 5000.000 1391.00 1 0.36079461E+02 0.37749417E-01-0.13129543E-04 0.20614154E-08-0.12053864E-12 2 -0.46814242E+05-0.15652932E+03-0.51356905E+00 0.12749744E+00-0.99678396E-04 3 0.40997676E-07-0.69527985E-11-0.34418928E+05 0.38677606E+02 4 A-OOH-I-OCTO2-C C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.36837244E+02 0.37074192E-01-0.12889803E-04 0.20232975E-08-0.11829146E-12 2 -0.49384569E+05-0.16107239E+03-0.12931655E+01 0.13276251E+00-0.10740363E-03 3 0.45464489E-07-0.78697688E-11-0.36710927E+05 0.41523200E+02 4 ACECOOH-I-OCTO2 C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.36837244E+02 0.37074192E-01-0.12889803E-04 0.20232975E-08-0.11829146E-12 2 -0.49384569E+05-0.16107239E+03-0.12931655E+01 0.13276251E+00-0.10740363E-03 3 0.45464489E-07-0.78697688E-11-0.36710927E+05 0.41523200E+02 4 A-OOH-I-OCTO2-D C 8H 17O 4 0 298.000 5000.000 1392.00 1 0.36812861E+02 0.37130283E-01-0.12916629E-04 0.20282347E-08-0.11860835E-12 2 -0.49987683E+05-0.16246886E+03-0.68458304E+00 0.13142791E+00-0.10658839E-03 3 0.45447188E-07-0.79413079E-11-0.37509542E+05 0.36751886E+02 4 A-OOH-I-OCTO2-E C 8H 17O 4 0 298.000 5000.000 1391.00 1 0.36079461E+02 0.37749417E-01-0.13129543E-04 0.20614154E-08-0.12053864E-12 2 -0.46814242E+05-0.15652932E+03-0.51356905E+00 0.12749744E+00-0.99678396E-04 3 0.40997676E-07-0.69527985E-11-0.34418928E+05 0.38677606E+02 4 AEEAOOH-I-OCTO2 C 8H 17O 4 0 298.000 5000.000 1391.00 1 0.36079461E+02 0.37749417E-01-0.13129543E-04 0.20614154E-08-0.12053864E-12 2 -0.46814242E+05-0.15652932E+03-0.51356905E+00 0.12749744E+00-0.99678396E-04 3 0.40997676E-07-0.69527985E-11-0.34418928E+05 0.38677606E+02 4 C-OOH-I-OCTO2-A C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.36837244E+02 0.37074192E-01-0.12889803E-04 0.20232975E-08-0.11829146E-12 2 -0.49384569E+05-0.16107239E+03-0.12931655E+01 0.13276251E+00-0.10740363E-03 3 0.45464489E-07-0.78697688E-11-0.36710927E+05 0.41523200E+02 4 CACEOOH-I-OCTO2 C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.36837244E+02 0.37074192E-01-0.12889803E-04 0.20232975E-08-0.11829146E-12 2 -0.49384569E+05-0.16107239E+03-0.12931655E+01 0.13276251E+00-0.10740363E-03 3 0.45464489E-07-0.78697688E-11-0.36710927E+05 0.41523200E+02 4 C-OOH-I-OCTO2-D C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.37578580E+02 0.36451372E-01-0.12676322E-04 0.19901040E-08-0.11636356E-12 2 -0.52565333E+05-0.16816942E+03-0.14938151E+01 0.13676154E+00-0.11434862E-03 3 0.49909853E-07-0.88537335E-11-0.39795437E+05 0.38645314E+02 4 C-OOH-I-OCTO2-E C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.36837244E+02 0.37074192E-01-0.12889803E-04 0.20232975E-08-0.11829146E-12 2 -0.49384569E+05-0.16216952E+03-0.12931655E+01 0.13276251E+00-0.10740363E-03 3 0.45464489E-07-0.78697688E-11-0.36710927E+05 0.40426069E+02 4 E-OOH-I-OCTO2-A C 8H 17O 4 0 298.000 5000.000 1392.00 1 0.36812861E+02 0.37130283E-01-0.12916629E-04 0.20282347E-08-0.11860835E-12 2 -0.49987683E+05-0.16246886E+03-0.68458304E+00 0.13142791E+00-0.10658839E-03 3 0.45447188E-07-0.79413079E-11-0.37509542E+05 0.36751886E+02 4 E-OOH-I-OCTO2-C C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.37578580E+02 0.36451372E-01-0.12676322E-04 0.19901040E-08-0.11636356E-12 2 -0.52565333E+05-0.16816942E+03-0.14938151E+01 0.13676154E+00-0.11434862E-03 3 0.49909853E-07-0.88537335E-11-0.39795437E+05 0.38645314E+02 4 E-OOH-I-OCTO2-E C 8H 17O 4 0 298.000 5000.000 1392.00 1 0.36812861E+02 0.37130283E-01-0.12916629E-04 0.20282347E-08-0.11860835E-12 2 -0.49987683E+05-0.16287651E+03-0.68458304E+00 0.13142791E+00-0.10658839E-03 3 0.45447188E-07-0.79413079E-11-0.37509542E+05 0.36344236E+02 4 E-OOH-I-OCTO2-A C 8H 17O 4 0 298.000 5000.000 1391.00 1 0.36079461E+02 0.37749417E-01-0.13129543E-04 0.20614154E-08-0.12053864E-12 2 -0.46814242E+05-0.15652932E+03-0.51356905E+00 0.12749744E+00-0.99678396E-04 3 0.40997676E-07-0.69527985E-11-0.34418928E+05 0.38677606E+02 4 E-OOH-I-OCTO2-C C 8H 17O 4 0 298.000 5000.000 1393.00 1 0.36837244E+02 0.37074192E-01-0.12889803E-04 0.20232975E-08-0.11829146E-12 2 -0.49384569E+05-0.16216952E+03-0.12931655E+01 0.13276251E+00-0.10740363E-03 3 0.45464489E-07-0.78697688E-11-0.36710927E+05 0.40426069E+02 4 E-OOH-I-OCTO2-D C 8H 17O 4 0 298.000 5000.000 1392.00 1 0.36812861E+02 0.37130283E-01-0.12916629E-04 0.20282347E-08-0.11860835E-12 2 -0.49987683E+05-0.16287651E+03-0.68458304E+00 0.13142791E+00-0.10658839E-03 3 0.45447188E-07-0.79413079E-11-0.37509542E+05 0.36344236E+02 4 E-OOH-I-OCTO2-E C 8H 17O 4 0 298.000 5000.000 1391.00 1 0.36079461E+02 0.37749417E-01-0.13129543E-04 0.20614154E-08-0.12053864E-12 2 -0.46814242E+05-0.15693697E+03-0.51356905E+00 0.12749744E+00-0.99678396E-04 3 0.40997676E-07-0.69527985E-11-0.34418928E+05 0.38269956E+02 4 A-O-I-OCTOOH-A C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33785357E+02 0.34895699E-01-0.12117347E-04 0.19006145E-08-0.11106519E-12 2 -0.63086805E+05-0.14670704E+03-0.16458276E+01 0.12021705E+00-0.91681844E-04 3 0.36084624E-07-0.58027588E-11-0.51031115E+05 0.42687180E+02 4 AAEEO-I-OCTOOH C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33785357E+02 0.34895699E-01-0.12117347E-04 0.19006145E-08-0.11106519E-12 2 -0.63086805E+05-0.14670704E+03-0.16458276E+01 0.12021705E+00-0.91681844E-04 3 0.36084624E-07-0.58027588E-11-0.51031115E+05 0.42687180E+02 4 A-O-I-OCTOOH-C C 8H 16O 3 0 298.000 5000.000 1394.00 1 0.34713400E+02 0.34194522E-01-0.11895272E-04 0.18680550E-08-0.10925588E-12 2 -0.65774582E+05-0.15303586E+03-0.23778675E+01 0.12499927E+00-0.98104834E-04 3 0.39557328E-07-0.64809745E-11-0.53325485E+05 0.44666730E+02 4 ACECO-I-OCTOOH C 8H 16O 3 0 298.000 5000.000 1394.00 1 0.34713400E+02 0.34194522E-01-0.11895272E-04 0.18680550E-08-0.10925588E-12 2 -0.65774582E+05-0.15303586E+03-0.23778675E+01 0.12499927E+00-0.98104834E-04 3 0.39557328E-07-0.64809745E-11-0.53325485E+05 0.44666730E+02 4 A-O-I-OCTOOH-D C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.34506672E+02 0.34320625E-01-0.11926934E-04 0.18716928E-08-0.10941265E-12 2 -0.66260860E+05-0.15328105E+03-0.17957022E+01 0.12408530E+00-0.98529887E-04 3 0.40527027E-07-0.67964010E-11-0.54125797E+05 0.39967408E+02 4 A-O-I-OCTOOH-E C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33785357E+02 0.34895699E-01-0.12117347E-04 0.19006145E-08-0.11106519E-12 2 -0.63086805E+05-0.14670704E+03-0.16458276E+01 0.12021705E+00-0.91681844E-04 3 0.36084624E-07-0.58027588E-11-0.51031115E+05 0.42687180E+02 4 AEEAO-I-OCTOOH C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33785357E+02 0.34895699E-01-0.12117347E-04 0.19006145E-08-0.11106519E-12 2 -0.63086805E+05-0.14670704E+03-0.16458276E+01 0.12021705E+00-0.91681844E-04 3 0.36084624E-07-0.58027588E-11-0.51031115E+05 0.42687180E+02 4 C-O-I-OCTOOH-A C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33688026E+02 0.35153082E-01-0.12244963E-04 0.19245923E-08-0.11262593E-12 2 -0.65750119E+05-0.14755002E+03-0.36572257E+01 0.12715968E+00-0.10073262E-03 3 0.41336794E-07-0.69238658E-11-0.53221467E+05 0.51388659E+02 4 CACEO-I-OCTOOH C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33688026E+02 0.35153082E-01-0.12244963E-04 0.19245923E-08-0.11262593E-12 2 -0.65750119E+05-0.14755002E+03-0.36572257E+01 0.12715968E+00-0.10073262E-03 3 0.41336794E-07-0.69238658E-11-0.53221467E+05 0.51388659E+02 4 C-O-I-OCTOOH-D C 8H 16O 3 0 298.000 5000.000 1394.00 1 0.35069643E+02 0.34009665E-01-0.11858800E-04 0.18653045E-08-0.10921795E-12 2 -0.68816943E+05-0.15874465E+03-0.31444057E+01 0.12699779E+00-0.99283892E-04 3 0.39601891E-07-0.63979419E-11-0.55958570E+05 0.45103128E+02 4 C-O-I-OCTOOH-E C 8H 16O 3 0 298.000 5000.000 1393.00 1 0.33688026E+02 0.35153082E-01-0.12244963E-04 0.19245923E-08-0.11262593E-12 2 -0.65750119E+05-0.14795767E+03-0.36572257E+01 0.12715968E+00-0.10073262E-03 3 0.41336794E-07-0.69238658E-11-0.53221467E+05 0.50981010E+02 4 E-O-I-OCTOOH-A C 8H 16O 3 0 298.000 5000.000 1394.00 1 0.33756778E+02 0.34894788E-01-0.12111049E-04 0.18989757E-08-0.11094220E-12 2 -0.63405381E+05-0.14650403E+03-0.19020260E+01 0.12157202E+00-0.93902871E-04 3 0.37506286E-07-0.61179723E-11-0.51350281E+05 0.43824658E+02 4 E-O-I-OCTOOH-C C 8H 16O 3 0 298.000 5000.000 1395.00 1 0.34754222E+02 0.34113571E-01-0.11856961E-04 0.18609817E-08-0.10879944E-12 2 -0.66121388E+05-0.15363992E+03-0.26461657E+01 0.12635408E+00-0.10015708E-03 3 0.40784037E-07-0.67381879E-11-0.53642170E+05 0.45459653E+02 4 E-O-I-OCTOOH-D C 8H 16O 3 0 298.000 5000.000 1395.00 1 0.35179277E+02 0.33738162E-01-0.11725074E-04 0.18402099E-08-0.10758448E-12 2 -0.66489551E+05-0.15793632E+03-0.15882653E+01 0.12240828E+00-0.93952434E-04 3 0.36700370E-07-0.57970555E-11-0.54060901E+05 0.38439517E+02 4 E-O-I-OCTOOH-E C 8H 16O 3 0 298.000 5000.000 1394.00 1 0.33756778E+02 0.34894788E-01-0.12111049E-04 0.18989757E-08-0.11094220E-12 2 -0.63405381E+05-0.14760117E+03-0.19020260E+01 0.12157202E+00-0.93902871E-04 3 0.37506286E-07-0.61179723E-11-0.51350281E+05 0.42727527E+02 4 A-C8H17O2H C 8H 18O 2 0 298.000 5000.000 1394.00 1 0.32687747E+02 0.38154335E-01-0.13190402E-04 0.20626416E-08-0.12027330E-12 2 -0.52706116E+05-0.14564937E+03-0.26059017E+01 0.12297525E+00-0.92379242E-04 3 0.36235204E-07-0.58491418E-11-0.40645169E+05 0.43127154E+02 4 C-C8H17O2H C 8H 18O 2 0 298.000 5000.000 1395.00 1 0.33379584E+02 0.37607519E-01-0.13010651E-04 0.20354957E-08-0.11872919E-12 2 -0.55660623E+05-0.15094068E+03-0.39413664E+01 0.13100875E+00-0.10467546E-03 3 0.43771336E-07-0.74839564E-11-0.43262443E+05 0.47389759E+02 4 E-C8H17O2H C 8H 18O 2 0 298.000 5000.000 1394.00 1 0.33449266E+02 0.37476086E-01-0.12949529E-04 0.20243272E-08-0.11801352E-12 2 -0.55885944E+05-0.15283944E+03-0.28450539E+01 0.12720003E+00-0.99702484E-04 3 0.40911407E-07-0.68814985E-11-0.43725325E+05 0.40416199E+02 4 E-C8H17O2H C 8H 18O 2 0 298.000 5000.000 1394.00 1 0.32687747E+02 0.38154335E-01-0.13190402E-04 0.20626416E-08-0.12027330E-12 2 -0.52706116E+05-0.14674650E+03-0.26059017E+01 0.12297525E+00-0.92379242E-04 3 0.36235204E-07-0.58491418E-11-0.40645169E+05 0.42030023E+02 4 A-C8H17O C 8H 17O 1 0 298.000 5000.000 1398.00 1 0.28834393E+02 0.36340315E-01-0.12381410E-04 0.19174810E-08-0.11106322E-12 2 -0.32977713E+05-0.12678665E+03-0.38049131E+01 0.11518461E+00-0.85761419E-04 3 0.33187793E-07-0.52447539E-11-0.21941805E+05 0.47518792E+02 4 C-C8H17O C 8H 17O 1 0 298.000 5000.000 1400.00 1 0.29199655E+02 0.36243502E-01-0.12391698E-04 0.19233610E-08-0.11156996E-12 2 -0.35244766E+05-0.13018183E+03-0.39668535E+01 0.11815010E+00-0.90908763E-04 3 0.36559490E-07-0.60077988E-11-0.24185452E+05 0.46343612E+02 4 E-C8H17O C 8H 17O 1 0 298.000 5000.000 1398.00 1 0.29445943E+02 0.35941643E-01-0.12268736E-04 0.19023359E-08-0.11027568E-12 2 -0.36516472E+05-0.13270470E+03-0.38318764E+01 0.11858155E+00-0.92088975E-04 3 0.37431523E-07-0.62172342E-11-0.25459018E+05 0.44263113E+02 4 E-C8H17O C 8H 17O 1 0 298.000 5000.000 1398.00 1 0.28834393E+02 0.36340315E-01-0.12381410E-04 0.19174810E-08-0.11106322E-12 2 -0.32977713E+05-0.12719430E+03-0.38049131E+01 0.11518461E+00-0.85761419E-04 3 0.33187793E-07-0.52447539E-11-0.21941805E+05 0.47111142E+02 4 A-A-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1402.00 1 0.27660962E+02 0.35437492E-01-0.12027046E-04 0.18578105E-08-0.10741603E-12 2 -0.37256016E+05-0.12297995E+03-0.58299628E+01 0.11770872E+00-0.89742836E-04 3 0.35344561E-07-0.56403376E-11-0.26119679E+05 0.55302289E+02 4 A-C-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1403.00 1 0.27679801E+02 0.35932301E-01-0.12307266E-04 0.19126921E-08-0.11105425E-12 2 -0.40591213E+05-0.12529569E+03-0.78004904E+01 0.12358088E+00-0.95862153E-04 3 0.38354526E-07-0.62176143E-11-0.28819765E+05 0.63440005E+02 4 A-E-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1401.00 1 0.27424760E+02 0.36392217E-01-0.12429152E-04 0.19281528E-08-0.11181846E-12 2 -0.52791384E+05-0.12724604E+03-0.95918728E+01 0.12823648E+00-0.10032648E-03 3 0.40388496E-07-0.65733373E-11-0.40565707E+05 0.69495534E+02 4 A-E-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1397.00 1 0.27469793E+02 0.37024704E-01-0.12704047E-04 0.19771511E-08-0.11492361E-12 2 -0.52213687E+05-0.13007500E+03-0.10089855E+02 0.12653211E+00-0.93977461E-04 3 0.35398747E-07-0.53630955E-11-0.39462265E+05 0.70823945E+02 4 C-E-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1401.00 1 0.29131475E+02 0.34377401E-01-0.11792306E-04 0.18344337E-08-0.10658010E-12 2 -0.43329088E+05-0.13413727E+03-0.65284329E+01 0.12586371E+00-0.10330954E-03 3 0.43958962E-07-0.75613832E-11-0.31791690E+05 0.54426964E+02 4 C-E-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1403.00 1 0.27679801E+02 0.35932301E-01-0.12307266E-04 0.19126921E-08-0.11105425E-12 2 -0.40591213E+05-0.12639283E+03-0.78004904E+01 0.12358088E+00-0.95862153E-04 3 0.38354526E-07-0.62176143E-11-0.28819765E+05 0.62342874E+02 4 E-E-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1400.00 1 0.28641396E+02 0.34592015E-01-0.11824071E-04 0.18351736E-08-0.10645819E-12 2 -0.40581313E+05-0.13036793E+03-0.57868446E+01 0.12068054E+00-0.95282779E-04 3 0.38981664E-07-0.64700788E-11-0.29242101E+05 0.52438652E+02 4 E-E-I-C8H16O C 8H 16O 1 0 298.000 5000.000 1400.00 1 0.27355614E+02 0.35963820E-01-0.12268216E-04 0.19017111E-08-0.11022691E-12 2 -0.37930266E+05-0.12431529E+03-0.75869859E+01 0.12047341E+00-0.90527159E-04 3 0.34857582E-07-0.54242404E-11-0.26183990E+05 0.62157134E+02 4 C5H10-2 C 5H 10 0 0 298.000 5000.000 1389.00 1 0.14110927E+02 0.22834827E-01-0.77862684E-05 0.12062749E-08-0.69879598E-13 2 -0.11433651E+05-0.50160116E+02-0.54156055E+00 0.53962992E-01-0.32350874E-04 3 0.97741604E-08-0.11853467E-11-0.59860617E+04 0.29714275E+02 4 C5H11-2 C 5H 11 0 0 298.000 5000.000 1377.00 1 0.15099801E+02 0.23722533E-01-0.80138890E-05 0.12343104E-08-0.71230012E-13 2 -0.23342004E+04-0.52961398E+02 0.49894360E+00 0.50985018E-01-0.24068749E-04 3 0.35946521E-08 0.30138310E-12 0.34070237E+04 0.27860095E+02 4 C5H11-3 C 5H 11 0 0 298.000 5000.000 1377.00 1 0.15099801E+02 0.23722533E-01-0.80138890E-05 0.12343104E-08-0.71230012E-13 2 -0.23342004E+04-0.53650880E+02 0.49894360E+00 0.50985018E-01-0.24068749E-04 3 0.35946521E-08 0.30138310E-12 0.34070237E+04 0.27170614E+02 4 I-E-C6H12 C 6H 12 0 0 298.000 5000.000 1393.00 1 0.17801685E+02 0.27050344E-01-0.92688088E-05 0.14406073E-08-0.83640960E-13 2 -0.15389539E+05-0.69737801E+02-0.19100314E+01 0.72091380E-01-0.48928315E-04 3 0.17543659E-07-0.26333852E-11-0.83808494E+04 0.36587088E+02 4 I-E-C6H13 C 6H 13 0 0 298.000 5000.000 1392.00 1 0.18507404E+02 0.28621827E-01-0.98210519E-05 0.15278388E-08-0.88760993E-13 2 -0.62764616E+04-0.71804343E+02-0.72127552E+00 0.70421895E-01-0.44150902E-04 3 0.14284312E-07-0.19116447E-11 0.78948215E+03 0.32698538E+02 4 I-A-C7H13 C 7H 13 0 0 298.000 5000.000 1388.00 1 0.19499256E+02 0.30800596E-01-0.10582545E-04 0.16476717E-08-0.95775634E-13 2 -0.60734887E+04-0.77063255E+02-0.10256393E+01 0.78632138E-01-0.54968616E-04 3 0.21266489E-07-0.35486445E-11 0.12571426E+04 0.33529452E+02 4 I-B-C7H13 C 7H 13 0 0 298.000 5000.000 1388.00 1 0.19499256E+02 0.30800596E-01-0.10582545E-04 0.16476717E-08-0.95775634E-13 2 -0.60734887E+04-0.77063255E+02-0.10256393E+01 0.78632138E-01-0.54968616E-04 3 0.21266489E-07-0.35486445E-11 0.12571426E+04 0.33529452E+02 4 T-C-C7H13 C 7H 13 0 0 298.000 5000.000 1395.00 1 0.22612989E+02 0.27746744E-01-0.95384637E-05 0.14861449E-08-0.86443968E-13 2 -0.45753921E+04-0.99195845E+02-0.38314786E+01 0.90942589E-01-0.67592615E-04 3 0.25877499E-07-0.40353493E-11 0.44373147E+04 0.42275358E+02 4 T-E-C7H13 C 7H 13 0 0 298.000 5000.000 1395.00 1 0.22612989E+02 0.27746744E-01-0.95384637E-05 0.14861449E-08-0.86443968E-13 2 -0.45753921E+04-0.99195845E+02-0.38314786E+01 0.90942589E-01-0.67592615E-04 3 0.25877499E-07-0.40353493E-11 0.44373147E+04 0.42275358E+02 4 C-C8H15 C 8H 15 0 0 298.000 5000.000 1397.00 1 0.26093134E+02 0.31762974E-01-0.10780036E-04 0.16653408E-08-0.96298550E-13 2 -0.80031215E+04-0.11565148E+03-0.37498795E+01 0.10547648E+00-0.81278196E-04 3 0.32627170E-07-0.53378361E-11 0.19224952E+04 0.43141618E+02 4 E-C8H15 C 8H 15 0 0 298.000 5000.000 1397.00 1 0.26093134E+02 0.31762974E-01-0.10780036E-04 0.16653408E-08-0.96298550E-13 2 -0.80031215E+04-0.11565148E+03-0.37498795E+01 0.10547648E+00-0.81278196E-04 3 0.32627170E-07-0.53378361E-11 0.19224952E+04 0.43141618E+02 4 I-B-C6H11 C 6H 11 0 0 298.000 5000.000 1388.00 1 0.17742105E+02 0.24974797E-01-0.86468705E-05 0.13533720E-08-0.78961510E-13 2 0.95009774E+03-0.70241069E+02-0.90731387E+00 0.66100862E-01-0.43308280E-04 3 0.14769548E-07-0.21083417E-11 0.77574319E+04 0.30928978E+02 4 I-C-C6H11 C 6H 11 0 0 298.000 5000.000 1388.00 1 0.17742105E+02 0.24974797E-01-0.86468705E-05 0.13533720E-08-0.78961510E-13 2 0.95009774E+03-0.70241069E+02-0.90731387E+00 0.66100862E-01-0.43308280E-04 3 0.14769548E-07-0.21083417E-11 0.77574319E+04 0.30928978E+02 4 I-E-C6H11 C 6H 11 0 0 298.000 5000.000 1388.00 1 0.17742105E+02 0.24974797E-01-0.86468705E-05 0.13533720E-08-0.78961510E-13 2 0.95009774E+03-0.70241069E+02-0.90731387E+00 0.66100862E-01-0.43308280E-04 3 0.14769548E-07-0.21083417E-11 0.77574319E+04 0.30928978E+02 4 T-C6H11 C 6H 11 0 0 298.000 5000.000 1397.00 1 0.19067902E+02 0.22969745E-01-0.77678236E-05 0.11971893E-08-0.69116861E-13 2 0.12230106E+05-0.77937713E+02-0.17905200E+01 0.73174997E-01-0.54062862E-04 3 0.20633393E-07-0.31985590E-11 0.19274929E+05 0.33475099E+02 4 I-C5H9 C 5H 9 0 0 298.000 5000.000 1385.00 1 0.14568211E+02 0.20502126E-01-0.71149376E-05 0.11153531E-08-0.65146093E-13 2 0.50408970E+04-0.54633089E+02-0.31759430E+00 0.52245491E-01-0.32596813E-04 3 0.10362805E-07-0.13606653E-11 0.10592283E+05 0.26520522E+02 4 DC6H12CHO-D C 7H 13O 1 0 298.000 5000.000 1389.00 1 0.23241299E+02 0.29401395E-01-0.10121087E-04 0.15781220E-08-0.91834998E-13 2 -0.26797320E+05-0.94746029E+02 0.71812917E+00 0.79781402E-01-0.53087853E-04 3 0.18310596E-07-0.26167396E-11-0.18690937E+05 0.27112672E+02 4 DC6H12CHO-B C 7H 13O 1 0 298.000 5000.000 1382.00 1 0.24874393E+02 0.26918538E-01-0.90508175E-05 0.13909734E-08-0.80191621E-13 2 -0.23162524E+05-0.10260748E+03-0.11183280E+01 0.83850912E-01-0.54051397E-04 3 0.16276854E-07-0.17337262E-11-0.13923634E+05 0.38057421E+02 4 BC6H12CHO-D C 7H 13O 1 0 298.000 5000.000 1384.00 1 0.21417561E+02 0.30949557E-01-0.10654408E-04 0.16612521E-08-0.96669297E-13 2 -0.23030740E+05-0.81887448E+02 0.25473424E+01 0.65878803E-01-0.31319264E-04 3 0.49836727E-08 0.25851307E-12-0.15514471E+05 0.22783349E+02 4 T-C6H12CHO C 7H 13O 1 0 298.000 5000.000 1395.00 1 0.24636775E+02 0.28101570E-01-0.96494310E-05 0.15022400E-08-0.87330396E-13 2 -0.26807089E+05-0.10462444E+03-0.14915360E+01 0.90616656E-01-0.67253341E-04 3 0.25823509E-07-0.40500895E-11-0.17899466E+05 0.35145691E+02 4 I-C3H7COC3H6-T C 7H 13O 1 0 298.000 5000.000 1390.00 1 0.23023169E+02 0.29779354E-01-0.10293673E-04 0.16094238E-08-0.93833058E-13 2 -0.30566855E+05-0.95576850E+02-0.66047924E+00 0.83843017E-01-0.57934894E-04 3 0.21023741E-07-0.31896023E-11-0.22131808E+05 0.32207736E+02 4 T-C4H9COC2H4 C 7H 13O 1 0 298.000 5000.000 1394.00 1 0.24431178E+02 0.28560476E-01-0.98699107E-05 0.15430756E-08-0.89966177E-13 2 -0.30261203E+05-0.10421161E+03-0.28650044E+01 0.94558740E-01-0.71838251E-04 3 0.28409591E-07-0.46088399E-11-0.20986339E+05 0.41625579E+02 4 T-C3H6CHO C 4H 7O 1 0 298.000 5000.000 1389.00 1 0.13101305E+02 0.16639186E-01-0.56845762E-05 0.81808351E-09-0.51129016E-13 2 -0.13063865E+05-0.44270581E+02 0.18705276E+01 0.41486968E-01-0.26681570E-04 3 0.90153161E-08-0.12787063E-11-0.89773074E+04 0.16617418E+02 4 I-C3H6CO C 4H 6O 1 0 298.000 5000.000 1397.00 1 0.13254823E+02 0.14014279E-01-0.47891021E-05 0.74292434E-09-0.43073757E-13 2 -0.20052978E+05-0.44481022E+02 0.22803905E+01 0.41701699E-01-0.32508966E-04 3 0.13724342E-07-0.24057313E-11-0.16393971E+05 0.13818771E+02 4 T-C4H8CHO C 5H 9O 1 0 298.000 5000.000 1397.00 1 0.17966393E+02 0.19420712E-01-0.66740945E-05 0.10396922E-08-0.60470265E-13 2 -0.13336859E+05-0.67981942E+02-0.95807829E+00 0.64200326E-01-0.47077683E-04 3 0.17573770E-07-0.26489615E-11-0.68658250E+04 0.33378111E+02 4 I-C3H7CO C 4H 7O 1 0 298.000 5000.000 1396.00 1 0.12898734E+02 0.16680972E-01-0.56715457E-05 0.87702465E-09-0.50742614E-13 2 -0.13509014E+05-0.41260767E+02 0.43338429E+00 0.44623565E-01-0.29198291E-04 3 0.97234122E-08-0.13041254E-11-0.90700044E+04 0.26089898E+02 4 T-C4H9CO C 5H 9O 1 0 298.000 5000.000 1397.00 1 0.17986436E+02 0.19401436E-01-0.66671587E-05 0.10385965E-08-0.60406457E-13 2 -0.19446317E+05-0.71066925E+02-0.97783336E+00 0.64057348E-01-0.46640887E-04 3 0.17214268E-07-0.25568131E-11-0.12946355E+05 0.30572739E+02 4 T-C4H9CHO C 5H 10O 1 0 298.000 5000.000 1396.00 1 0.18405636E+02 0.21528242E-01-0.73865553E-05 0.11494200E-08-0.66800374E-13 2 -0.38409289E+05-0.74988691E+02-0.17558823E+01 0.68874122E-01-0.49716107E-04 3 0.18292165E-07-0.27205693E-11-0.31474063E+05 0.33133448E+02 4 CH3CHCHO C 3H 5O 1 0 298.000 5000.000 1385.00 1 0.10264753E+02 0.11729506E-01-0.40626756E-05 0.63608675E-09-0.37122019E-13 2 -0.72591049E+04-0.29164664E+02 0.15419691E+01 0.30329739E-01-0.18892269E-04 3 0.59226336E-08-0.75376232E-12-0.40176110E+04 0.18370701E+02 4 C3H6CHO-1 C 4H 7O 1 0 298.000 5000.000 1379.00 1 0.13032295E+02 0.16241837E-01-0.55438812E-05 0.85972368E-09-0.49845973E-13 2 -0.64591597E+04-0.39239902E+02 0.26767230E+01 0.37306413E-01-0.21128140E-04 3 0.58047268E-08-0.60968824E-12-0.24971418E+04 0.17575093E+02 4 I-C6H13CHO-D C 7H 14O 1 0 298.000 5000.000 1393.00 1 0.23384132E+02 0.31747740E-01-0.10912833E-04 0.16998864E-08-0.98851724E-13 2 -0.46192337E+05-0.95971536E+02-0.14610599E+01 0.87587755E-01-0.58496085E-04 3 0.20052203E-07-0.28115800E-11-0.37317074E+05 0.38287320E+02 4 I-C6H13CHO-B C 7H 14O 1 0 298.000 5000.000 1395.00 1 0.24680179E+02 0.30559504E-01-0.10485832E-04 0.16316281E-08-0.94817809E-13 2 -0.46575454E+05-0.10469869E+03-0.20618656E+01 0.92653222E-01-0.65434436E-04 3 0.23710174E-07-0.34969903E-11-0.37273465E+05 0.39018137E+02 4 NEOC6H13CHO C 7H 14O 1 0 298.000 5000.000 1390.00 1 0.24896960E+02 0.29873308E-01-0.10145045E-04 0.15681299E-08-0.90720014E-13 2 -0.47062838E+05-0.10556272E+03-0.10766203E+01 0.90631544E-01-0.64471122E-04 3 0.23697309E-07-0.35591723E-11-0.38074642E+05 0.33864136E+02 4 I-C3H7COC3H7-I C 7H 14O 1 0 298.000 5000.000 1392.00 1 0.23327665E+02 0.32086377E-01-0.11093781E-04 0.17347962E-08-0.10115363E-12 2 -0.50058359E+05-0.97817434E+02-0.37758510E+01 0.95998972E-01-0.69782915E-04 3 0.26775995E-07-0.42786942E-11-0.40622757E+05 0.47672102E+02 4 T-C4H9COC2H5 C 7H 14O 1 0 298.000 5000.000 1392.00 1 0.24313914E+02 0.30998619E-01-0.10664507E-04 0.16622616E-08-0.96709710E-13 2 -0.50393554E+05-0.10308540E+03-0.23498589E+01 0.94206928E-01-0.68814038E-04 3 0.26411210E-07-0.41987807E-11-0.41177452E+05 0.39870562E+02 4 I-C3H5CO C 4H 5O 1 0 298.000 5000.000 1397.00 1 0.13066744E+02 0.11670424E-01-0.39910652E-05 0.61949815E-09-0.35934825E-13 2 -0.33651934E+04-0.43580309E+02 0.18509707E+01 0.41885585E-01-0.36255373E-04 3 0.16569066E-07-0.30585085E-11 0.17038144E+03 0.15301443E+02 4 CH3CHCO C 3H 4O 1 0 298.000 5000.000 1400.00 1 0.10021912E+02 0.95696630E-02-0.32622164E-05 0.50523171E-09-0.29259326E-13 2 -0.14248274E+05-0.27782997E+02 0.14838012E+01 0.32220301E-01-0.27025003E-04 3 0.12049916E-07-0.21836593E-11-0.11527654E+05 0.17155207E+02 4