O H C N Ar N2 H H2 O O2 OH H2O H2O2 HO2 CO CH2O CH3 CH3OH C2H2 CH4 C2H6 C2H4 CO2 NO HCN NO2 N2O 300.0 101325.0 H:2 TPIS78 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08, -7.376117610E-12, -9.179351730E+02, 6.830102380E-01 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10, 2.002553760E-14, -9.501589220E+02, -3.205023310E+00 linear 38.000 2.920 0.000 0.790 280.000 H:1 L 7/88 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18, -9.277323320E-22, 2.547365990E+04, -4.466828530E-01 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18, 4.981973570E-22, 2.547365990E+04, -4.466829140E-01 atom 145.000 2.050 0.000 0.000 0.000 O:1 L 1/90 3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09, 2.112659710E-12, 2.912225920E+04, 2.051933460E+00 2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11, 1.228336910E-15, 2.921757910E+04, 4.784338640E+00 atom 80.000 2.750 0.000 0.000 0.000 O:2 TPIS89 3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09, 3.243728370E-12, -1.063943560E+03, 3.657675730E+00 3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10, -2.167177940E-14, -1.088457720E+03, 5.453231290E+00 linear 107.400 3.460 0.000 1.600 3.800 H:1 O:1 RUS 78 3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09, 1.364114700E-12, 3.615080560E+03, -1.039254580E-01 3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11, 1.174123760E-14, 3.858657000E+03, 4.476696100E+00 linear 80.000 2.750 0.000 0.000 0.000 H:2 O:1 L 8/89 4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09, 1.771978170E-12, -3.029372670E+04, -8.490322080E-01 3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11, 1.682009920E-14, -3.000429710E+04, 4.966770100E+00 nonlinear 572.400 2.600 1.840 0.000 4.000 H:1 O:2 L 5/89 4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08, 9.292251240E-12, 2.948080400E+02, 3.716662450E+00 4.017210900E+00, 2.239820130E-03, -6.336581500E-07, 1.142463700E-10, -1.079085350E-14, 1.118567130E+02, 3.785102150E+00 nonlinear 107.400 3.460 0.000 0.000 1.000 H:2 O:2 L 7/88 4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08, 8.624543630E-12, -1.770258210E+04, 3.435050740E+00 4.165002850E+00, 4.908316940E-03, -1.901392250E-06, 3.711859860E-10, -2.879083050E-14, -1.786178770E+04, 2.916156620E+00 nonlinear 107.400 3.460 0.000 0.000 3.800 C:1 L11/88 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, 2.665214460E-13, 8.544388320E+04, 4.531308480E+00 2.492668880E+00, 4.798892840E-05, -7.243350200E-08, 3.742910290E-11, -4.872778930E-15, 8.545129530E+04, 4.801503730E+00 atom 71.400 3.300 0.000 0.000 0.000 H:1 C:1 TPIS79 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, -1.406090670E-12, 7.079729340E+04, 2.084011080E+00 2.878464730E+00, 9.709136810E-04, 1.444456550E-07, -1.306878490E-10, 1.760793830E-14, 7.101243640E+04, 5.484979990E+00 linear 80.000 2.750 0.000 0.000 0.000 H:2 C:1 L S/93 3.762678670E+00, 9.688721430E-04, 2.794898410E-06, -3.850911530E-09, 1.687417190E-12, 4.600404010E+04, 1.562531850E+00 2.874101130E+00, 3.656392920E-03, -1.408945970E-06, 2.601795490E-10, -1.877275670E-14, 4.626360400E+04, 6.171193240E+00 linear 144.000 3.800 0.000 0.000 0.000 H:2 C:1 L S/93 4.198604110E+00, -2.366614190E-03, 8.232962200E-06, -6.688159810E-09, 1.943147370E-12, 5.049681630E+04, -7.691189670E-01 2.292038420E+00, 4.655886370E-03, -2.011919470E-06, 4.179060000E-10, -3.397163650E-14, 5.092599970E+04, 8.626501690E+00 linear 144.000 3.800 0.000 0.000 0.000 H:3 C:1 L11/89 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, 2.543857340E-12, 1.644499880E+04, 1.604564330E+00 2.285717720E+00, 7.239900370E-03, -2.987143480E-06, 5.956846440E-10, -4.671543940E-14, 1.677558430E+04, 8.480071790E+00 linear 144.000 3.800 0.000 0.000 0.000 H:4 C:1 L 8/88 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, 1.666939560E-11, -1.024664760E+04, -4.641303760E+00 7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09, -1.018152300E-13, -9.468344590E+03, 1.843731800E+01 nonlinear 141.400 3.750 0.000 2.600 13.000 C:1 O:1 TPIS79 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, -9.044244990E-13, -1.434408600E+04, 3.508409280E+00 2.715185610E+00, 2.062527430E-03, -9.988257710E-07, 2.300530080E-10, -2.036477160E-14, -1.415187240E+04, 7.818687720E+00 linear 98.100 3.650 0.000 1.950 1.800 C:1 O:2 L 7/88 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, -1.436995480E-13, -4.837196970E+04, 9.901052220E+00 3.857460290E+00, 4.414370260E-03, -2.214814040E-06, 5.234901880E-10, -4.720841640E-14, -4.875916600E+04, 2.271638060E+00 linear 244.000 3.760 0.000 2.650 2.100 H:1 C:1 O:1 L12/89 4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08, 4.337688650E-12, 3.839564960E+03, 3.394372430E+00 2.772174380E+00, 4.956955260E-03, -2.484456130E-06, 5.891617780E-10, -5.335087110E-14, 4.011918150E+03, 9.798344920E+00 nonlinear 498.000 3.590 0.000 0.000 0.000 H:2 C:1 O:1 L 8/88 4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08, 1.317726520E-11, -1.430895670E+04, 6.028129000E-01 1.760690080E+00, 9.200000820E-03, -4.422588130E-06, 1.006412120E-09, -8.838556400E-14, -1.399583230E+04, 1.365632300E+01 nonlinear 498.000 3.590 0.000 0.000 2.000 H:3 C:1 O:1 GUNL93 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, 4.369672780E-12, -3.193913670E+03, 5.473022430E+00 3.692665690E+00, 8.645767970E-03, -3.751011200E-06, 7.872346360E-10, -6.485542010E-14, -3.242506270E+03, 5.810432150E+00 nonlinear 417.000 3.690 1.700 0.000 2.000 H:3 C:1 O:1 121686 2.106204000E+00, 7.216595000E-03, 5.338472000E-06, -7.377636000E-09, 2.075610000E-12, 9.786011000E+02, 1.315217700E+01 3.770799000E+00, 7.871497000E-03, -2.656384000E-06, 3.944431000E-10, -2.112616000E-14, 1.278325200E+02, 2.929575000E+00 nonlinear 417.000 3.690 1.700 0.000 2.000 H:4 C:1 O:1 L 8/88 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, 2.613526980E-11, -2.564276560E+04, -1.504098230E+00 1.789707910E+00, 1.409382920E-02, -6.365008350E-06, 1.381710850E-09, -1.170602200E-13, -2.537487470E+04, 1.450236230E+01 nonlinear 481.800 3.630 0.000 0.000 1.000 H:1 C:2 L 1/91 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, -1.093315110E-11, 6.683939320E+04, 6.222964380E+00 3.167806520E+00, 4.752219020E-03, -1.837870770E-06, 3.041902520E-10, -1.772327700E-14, 6.712106500E+04, 6.635894750E+00 linear 209.000 4.100 0.000 0.000 2.500 H:2 C:2 L 1/91 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, -8.500729740E-12, 2.642898070E+04, 1.393970510E+01 4.147569640E+00, 5.961666640E-03, -2.372948520E-06, 4.674121710E-10, -3.612352130E-14, 2.593599920E+04, -1.230281210E+00 linear 209.000 4.100 0.000 0.000 2.500 H:3 C:2 L 2/92 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, 1.471508730E-11, 3.485984680E+04, 8.510540250E+00 3.016724000E+00, 1.033022920E-02, -4.680823490E-06, 1.017632880E-09, -8.626070410E-14, 3.461287390E+04, 7.787323780E+00 nonlinear 209.000 4.100 0.000 0.000 1.000 H:4 C:2 L 1/91 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, 2.698843730E-11, 5.089775930E+03, 4.097330960E+00 2.036111160E+00, 1.464541510E-02, -6.710779150E-06, 1.472229230E-09, -1.257060610E-13, 4.939886140E+03, 1.030536930E+01 nonlinear 280.800 3.970 0.000 0.000 1.500 H:5 C:2 L12/92 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, 2.305090040E-11, 1.284162650E+04, 4.707209240E+00 1.954656420E+00, 1.739727220E-02, -7.982066680E-06, 1.752176890E-09, -1.496415760E-13, 1.285752000E+04, 1.346243430E+01 nonlinear 252.300 4.300 0.000 0.000 1.500 H:6 C:2 L 8/88 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, 2.686857710E-11, -1.152220550E+04, 2.666823160E+00 1.071881500E+00, 2.168526770E-02, -1.002560670E-05, 2.214120010E-09, -1.900028900E-13, -1.142639320E+04, 1.511561070E+01 nonlinear 252.300 4.300 0.000 0.000 1.500 H:1 C:2 O:1 SRIC91 2.251721400E+00, 1.765502100E-02, -2.372910100E-05, 1.727575900E-08, -5.066481100E-12, 2.005944900E+04, 1.249041700E+01 5.628205800E+00, 4.085340100E-03, -1.593454700E-06, 2.862605200E-10, -1.940783200E-14, 1.932721500E+04, -3.930259500E+00 nonlinear 150.000 2.500 0.000 0.000 1.000 H:2 C:2 O:1 L 5/90 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, -2.014576150E-12, -7.042918040E+03, 1.221564800E+01 4.511297320E+00, 9.003597450E-03, -4.169396350E-06, 9.233458820E-10, -7.948382010E-14, -7.551053110E+03, 6.322472050E-01 nonlinear 436.000 3.970 0.000 0.000 2.000 H:2 C:2 O:1 SRI91 1.242373300E+00, 3.107220100E-02, -5.086686400E-05, 4.313713100E-08, -1.401459400E-11, 8.031614300E+03, 1.387431900E+01 5.923829100E+00, 6.792360000E-03, -2.565856400E-06, 4.498784100E-10, -2.994010100E-14, 7.264626000E+03, -7.601774200E+00 nonlinear 436.000 3.970 0.000 0.000 2.000 N:1 L 6/88 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 5.610463700E+04, 4.193908700E+00 2.415942900E+00, 1.748906500E-04, -1.190236900E-07, 3.022624500E-11, -2.036098200E-15, 5.613377300E+04, 4.649609600E+00 atom 71.400 3.300 0.000 0.000 0.000 H:1 N:1 And94 3.492908500E+00, 3.117919800E-04, -1.489048400E-06, 2.481644200E-09, -1.035696700E-12, 4.188062900E+04, 1.848327800E+00 2.783692800E+00, 1.329843000E-03, -4.247804700E-07, 7.834850100E-11, -5.504447000E-15, 4.212084800E+04, 5.740779900E+00 linear 80.000 2.650 0.000 0.000 4.000 H:2 N:1 And89 4.204002900E+00, -2.106138500E-03, 7.106834800E-06, -5.611519700E-09, 1.644071700E-12, 2.188591000E+04, -1.418424800E-01 2.834742100E+00, 3.207308200E-03, -9.339080400E-07, 1.370295300E-10, -7.920614400E-15, 2.217195700E+04, 6.520416300E+00 nonlinear 80.000 2.650 0.000 2.260 4.000 H:3 N:1 J 6/77 4.286027400E+00, -4.660523000E-03, 2.171851300E-05, -2.280888700E-08, 8.263804600E-12, -6.741728500E+03, -6.253727700E-01 2.634452100E+00, 5.666256000E-03, -1.727867600E-06, 2.386716100E-10, -1.257878600E-14, -6.544695800E+03, 6.566292800E+00 nonlinear 481.000 2.920 1.470 0.000 10.000 H:1 N:2 T07/93 4.344692700E+00, -4.849707200E-03, 2.005945900E-05, -2.172646400E-08, 7.946953900E-12, 2.879197300E+04, 2.977941000E+00 3.766754400E+00, 2.891508200E-03, -1.041662000E-06, 1.684259400E-10, -1.009189600E-14, 2.865069700E+04, 4.470506700E+00 nonlinear 71.400 3.800 0.000 0.000 1.000 O:1 N:1 RUS 78 4.218476300E+00, -4.638976000E-03, 1.104102200E-05, -9.336135400E-09, 2.803577000E-12, 9.844623000E+03, 2.280846400E+00 3.260605600E+00, 1.191104300E-03, -4.291704800E-07, 6.945766900E-11, -4.033609900E-15, 9.920974600E+03, 6.369302700E+00 linear 97.530 3.620 0.000 1.760 4.000 O:2 N:1 L 7/88 3.944031200E+00, -1.585429000E-03, 1.665781200E-05, -2.047542600E-08, 7.835056400E-12, 2.896617900E+03, 6.311991700E+00 4.884754200E+00, 2.172395600E-03, -8.280690600E-07, 1.574751000E-10, -1.051089500E-14, 2.316498300E+03, -1.174169500E-01 nonlinear 200.000 3.500 0.000 0.000 1.000 O:1 N:2 L 7/88 2.257150200E+00, 1.130472800E-02, -1.367131900E-05, 9.681980600E-09, -2.930718200E-12, 8.741774400E+03, 1.075799200E+01 4.823072900E+00, 2.627025100E-03, -9.585087400E-07, 1.600071200E-10, -9.775230300E-15, 8.073404800E+03, -2.201720700E+00 linear 232.400 3.830 0.000 0.000 1.000 H:1 O:1 N:1 And93 4.533491600E+00, -5.669617100E-03, 1.847320700E-05, -1.713709400E-08, 5.545457300E-12, 1.154829700E+04, 1.749841700E+00 2.979250900E+00, 3.494405900E-03, -7.854977800E-07, 5.747959400E-11, -1.933591600E-16, 1.175058200E+04, 8.606372800E+00 nonlinear 116.700 3.490 0.000 0.000 1.000 C:1 N:1 HBH92 3.612935100E+00, -9.555132700E-04, 2.144297700E-06, -3.151632300E-10, -4.643035600E-13, 5.170834000E+04, 3.980499500E+00 3.745980500E+00, 4.345077500E-05, 2.970598400E-07, -6.865180600E-11, 4.413417300E-15, 5.153618800E+04, 2.786760100E+00 linear 75.000 3.860 0.000 0.000 1.000 H:1 C:1 N:1 GRI/98 2.258988600E+00, 1.005117000E-02, -1.335176300E-05, 1.009234900E-08, -3.008902800E-12, 1.471263300E+04, 8.916441900E+00 3.802239200E+00, 3.146422800E-03, -1.063218500E-06, 1.661975700E-10, -9.799757000E-15, 1.440729200E+04, 1.575460100E+00 linear 569.000 3.630 0.000 0.000 1.000 H:2 C:1 N:1 41687 2.851661000E+00, 5.695233100E-03, 1.071140000E-06, -1.622612000E-09, -2.351108100E-13, 2.863782000E+04, 8.992751100E+00 5.209703000E+00, 2.969291100E-03, -2.855589100E-07, -1.635550000E-10, 3.043258900E-14, 2.767710900E+04, -4.444478000E+00 linear 569.000 3.630 0.000 0.000 1.000 H:1 C:1 N:2 SRI/94 2.524319400E+00, 1.596061900E-02, -1.881635400E-05, 1.212554000E-08, -3.235737800E-12, 5.426198400E+04, 1.167587000E+01 5.894636200E+00, 3.989595900E-03, -1.598238000E-06, 2.924939500E-10, -2.009468600E-14, 5.345294100E+04, -5.103050200E+00 nonlinear 150.000 2.500 0.000 0.000 1.000 H:1 C:1 O:1 N:1 BDEA94 2.647279890E+00, 1.275053420E-02, -1.047942360E-05, 4.414328360E-09, -7.575214660E-13, 1.929902520E+04, 1.073329720E+01 6.598604560E+00, 3.027786260E-03, -1.077043460E-06, 1.716665280E-10, -1.014393910E-14, 1.796613390E+04, -1.033065990E+01 nonlinear 232.400 3.830 0.000 0.000 1.000 H:1 C:1 O:1 N:1 BDEA94 3.786049520E+00, 6.886679220E-03, -3.214878640E-06, 5.171957670E-10, 1.193607880E-14, -2.826984000E+03, 5.632921620E+00 5.897848850E+00, 3.167893930E-03, -1.118010640E-06, 1.772431440E-10, -1.043391770E-14, -3.706533310E+03, -6.181678250E+00 nonlinear 232.400 3.830 0.000 0.000 1.000 H:1 C:1 O:1 N:1 BDEA94 3.630963170E+00, 7.302823570E-03, -2.280500030E-06, -6.612712980E-10, 3.622357520E-13, -1.558736360E+04, 6.194577270E+00 6.223951340E+00, 3.178640040E-03, -1.093787550E-06, 1.707351630E-10, -9.950219550E-15, -1.665993440E+04, -8.382247410E+00 nonlinear 232.400 3.830 0.000 0.000 1.000 C:1 O:1 N:1 EA 93 2.826930800E+00, 8.805168800E-03, -8.386613400E-06, 4.801696400E-09, -1.331359500E-12, 1.468247700E+04, 9.550464600E+00 5.152184500E+00, 2.305176100E-03, -8.803315300E-07, 1.478909800E-10, -9.097799600E-15, 1.400412300E+04, -2.544266000E+00 linear 232.400 3.830 0.000 0.000 1.000 N:2 121286 3.298677000E+00, 1.408240400E-03, -3.963222000E-06, 5.641515000E-09, -2.444854000E-12, -1.020899900E+03, 3.950372000E+00 2.926640000E+00, 1.487976800E-03, -5.684760000E-07, 1.009703800E-10, -6.753351000E-15, -9.227977000E+02, 5.980528000E+00 linear 97.530 3.620 0.000 1.760 4.000 Ar:1 120186 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.366000000E+00 atom 136.500 3.330 0.000 0.000 0.000 H:7 C:3 L 9/84 1.051551800E+00, 2.599198000E-02, 2.380054000E-06, -1.960956900E-08, 9.373247000E-12, 1.063186300E+04, 2.112255900E+01 7.702698700E+00, 1.604420300E-02, -5.283322000E-06, 7.629859000E-10, -3.939228400E-14, 8.298433600E+03, -1.548018000E+01 nonlinear 266.800 4.980 0.000 0.000 1.000 H:8 C:3 L 4/85 9.335538100E-01, 2.642457900E-02, 6.105972700E-06, -2.197749900E-08, 9.514925300E-12, -1.395852000E+04, 1.920169100E+01 7.534136800E+00, 1.887223900E-02, -6.271849100E-06, 9.147564900E-10, -4.783806900E-14, -1.646751600E+04, -1.789234900E+01 nonlinear 266.800 4.980 0.000 0.000 1.000 H:3 C:2 O:1 SAND86 3.409062000E+00, 1.073857400E-02, 1.891492000E-06, -7.158583000E-09, 2.867385000E-12, 1.521476600E+03, 9.558290000E+00 5.975670000E+00, 8.130591000E-03, -2.743624000E-06, 4.070304000E-10, -2.176017000E-14, 4.903218000E+02, -5.045251000E+00 nonlinear 436.000 3.970 0.000 0.000 2.000 H:4 C:2 O:1 L 8/88 4.729459500E+00, -3.193285800E-03, 4.753492100E-05, -5.745861100E-08, 2.193111200E-11, -2.157287800E+04, 4.103015900E+00 5.404110800E+00, 1.172305900E-02, -4.226313700E-06, 6.837245100E-10, -4.098486300E-14, -2.259312200E+04, -3.480791700E+00 nonlinear 436.000 3.970 0.000 0.000 2.000 N2 [=] N2 0.00000001 2 100000000.000000 N2:1 N2:1.0