AL (Pt) J12/65AL 10 00 00 0S 300.000 933.000 1 0. 0. 0. 0. 0. 2 0. 0. 0.22258601E 01 0.25561698E-02 0.25963942E-06 3 -0.44923993E-08 0.38348586E-11-0.77250039E 03-0.10016767E 02 4 AL (L) J12/65AL 10 00 00 0L 933.000 5000.000 1 0.38185052E 01 0. 0. 0. 0. 2 -0.96116844E 02-0.17518952E 02 0.38185052E 01 0. 0. 3 0. 0. -0.96116844E 02-0.17518952E 02 4 AL J12/65AL 100 000 000 0G 300.000 5000.000 1 0.25450650E 01-0.75157512E-04 0.48674178E-07-0.14045399E-10 0.15219285E-14 2 0.38498957E 05 0.53100256E 01 0.27964983E 01-0.12468495E-02 0.20733316E-05 3 -0.15487769E-08 0.43185442E-12 0.38456100E 05 0.41365426E 01 4 ALO J 6/75AL 1O 10 00 0G 300.000 5000.000 1 0.33094345E+01 0.10576493E-02 0.26448126E-06-0.17685051E-09 0.19801388E-13 2 0.72968669E+04 0.72192630E+01 0.28134395E+01 0.39455231E-02-0.33378904E-05 3 0.64121830E-09 0.41222545E-12 0.72667136E+04 0.91879916E+01 4 ALOH J12/67AL 1O 1H 10 0G 300.000 5000.000 1 0.36860674E 01 0.33636822E-02-0.12466244E-05 0.21382205E-09-0.13898319E-13 2 -0.23046105E 05 0.36769913E 01 0.26132211E 01 0.27716894E-02 0.74157830E-05 3 -0.11354602E-07 0.45569559E-11-0.22586797E 05 0.10062166E 02 4 ALO2 J12/75AL 1O 20 00 0G 300.000 5000.000 1 0.65945942E+01 0.10963443E-02-0.53014510E-06 0.11487099E-09-0.86510157E-14 2 -0.24771369E+05-0.87831805E+01 0.25018993E+01 0.18091574E-01-0.28516989E-04 3 0.21482119E-07-0.62915893E-11-0.23932565E+05 0.10934666E+02 4 AL2O2 J12/75AL 2O 200 000 0G 300.000 5000.000 1 0.88383610E+01 0.13300531E-02-0.59194652E-06 0.11629155E-09-0.83989357E-14 2 -0.55271323E+05-0.18086551E+02 0.23295551E+01 0.29200353E-01-0.47889075E-04 3 0.37200904E-07-0.11157377E-10-0.53973315E+05 0.13078658E+02 4 AL2O3 (Pt) J 6/75AL 2O 3 0 0S 300.000 2327.000 1 0.11853116E+02 0.37197664E-02-0.12824528E-06-0.58193349E-09 0.14427502E-12 2 -0.20571997E+06-0.63702664E+02-0.49125549E+01 0.79388863E-01-0.13235139E-03 3 0.10443331E-06-0.31551251E-10-0.20262917E+06 0.15471761E+02 4 AL2O3 (L) J 6/75AL 2O 3 0 0L 2327.000 6000.000 1 0.23148556E+02 0. 0. 0. 0. 2 -0.21140821E+06-0.13860505E+03 0. 0. 0. 3 0. 0. 0. 0. 4 AR L 5/66AR 100 000 000 0G 300.000 5000.000 1 0.25000000E 01 0. 0. 0. 0. 2 -0.74537502E 03 0.43660006E 01 0.25000000E 01 0. 0. 3 0. 0. -0.74537498E 03 0.43660006E 01 4 AR+ L12/66AR 1E -100 000 0G 300.000 5000.000 1 0.28420672E 01-0.87648603E-04-0.26463209E-07 0.12240311E-10-0.11885139E-14 2 0.18272563E 06 0.36720201E 01 0.24857001E 01-0.55682660E-03 0.33194849E-05 3 -0.39236795E-08 0.14143279E-11 0.18290215E 06 0.58880154E 01 4 BR J 6/74BR 10 00 00 0G 300.000 5000.000 R1 0.20843207E+01 0.71949483E-03-0.27419924E-06 0.42422650E-10-0.23791570E-14 2 0.12858837E+05 0.90838003E+01 0.24611551E+01 0.33319275E-03-0.10080655E-05 3 0.12262126E-08-0.44283510E-12 0.12711920E+05 0.69494733E+01 4 BR2 J12/61BR 20 00 00 0G 300.000 5000.000 1 0.44479495E 01 0.10051208E-03-0.16393816E-07 0.22685621E-11-0.10236774E-15 2 0.23659941E 04 0.40888431E 01 0.38469580E 01 0.26111841E-02-0.40034147E-05 3 0.28120689E-08-0.73256202E-12 0.24846984E 04 0.69696985E 01 4 C (Pt) J 3/78C 1 0 0 0S 300.000 5000.000 1 0.16272659E+01 0.13726102E-02-0.47427392E-06 0.78269058E-10-0.46932334E-14 2 -0.75550659E+03-0.94597750E+01-0.39358151E+00 0.50322227E-02 0.21335575E-06 3 -0.44809667E-08 0.22281673E-11-0.10043521E+03 0.14578543E+01 4 C J 3/78C 100 000 000 0G 300.000 5000.000 R1 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 CCL J12/69C 1CL 10 00 0G 300.000 5000.000 R1 0.40984727E 01 0.50077845E-03-0.20012833E-06 0.38680992E-10-0.25441113E-14 2 0.59076599E 05 0.33370201E 01 0.31953557E 01 0.28076318E-02-0.16043845E-05 3 -0.57744065E-09 0.61409732E-12 0.59325077E 05 0.80220197E 01 4 CCL2 J12/68C 1CL 20 00 0G 300.000 5000.000 R1 0.37184999E 01 0.53449745E-02-0.23431284E-05 0.41806177E-09-0.26765295E-13 2 0.27554793E 05 0.96328274E 01 0.28588505E 01 0.13957938E-01-0.20038898E-04 3 0.13500726E-07-0.31669715E-11 0.27363926E 05 0.12230161E 02 4 CCL3 J 6/70C 1CL 30 00 0G 300.000 5000.000 R1 0.87815473E 01 0.13516130E-02-0.58249453E-06 0.11098697E-09-0.77937264E-14 2 0.66344151E 04-0.15329284E 02 0.37153357E 01 0.19443796E-01-0.24627841E-04 3 0.13786464E-07-0.26638934E-11 0.77820020E 04 0.97028910E 01 4 CCL4 J12/68C 1CL 40 00 0G 300.000 5000.000 1 0.11601304E 02 0.15550273E-02-0.67045280E-06 0.12770337E-09-0.89616950E-14 2 -0.15389852E 05-0.30063473E 02 0.42667400E 01 0.29452637E-01-0.40820650E-04 3 0.25581544E-07-0.58756489E-11-0.13810816E 05 0.57614468E 01 4 CD T 2/80C 1D 1 0 0G 300.000 5000.000 R1 0.26841459E 01 0.18855776E-02-0.48628311E-06 0.38441708E-10 0.64605384E-15 2 0.70531750E 05 0.70191174E 01 0.35427971E 01-0.47720969E-03 0.10656331E-05 3 0.73458772E-09-0.74328873E-12 0.70311938E 05 0.26285248E 01 4 CDH3 T05/79C 1D 1H 3 0G 300.000 5000.000 1 0.29389458E 01 0.84684640E-02-0.28219238E-05 0.41319725E-09-0.21738508E-13 2 -0.10964586E 05 0.42649403E 01 0.26380539E 01 0.41823313E-02 0.72133871E-05 3 -0.58564389E-08 0.79961938E-12-0.10462590E 05 0.74964495E 01 4 CDO L11/83D 1C 1O 1 0G 300.000 5000.00 30.0245 R1 0.42518167E 01 0.25338491E-02-0.91200246E-06 0.15268785E-09-0.96286403E-14 2 -0.70481602E 04 0.21420174E 01 0.35113592E 01 0.22066066E-02 0.21039923E-05 3 -0.20886284E-08 0.28339429E-12-0.66476914E 04 0.67500134E 01 1213.5 4 CD2 T05/80C 1D 2 0 0G 300.000 5000.000 R1 0.36602430E 01 0.33572798E-02-0.12381643E-05 0.20197106E-09-0.12083819E-13 2 0.44684898E 05 0.25554295E 01 0.38409843E 01 0.12651016E-02 0.18910869E-05 3 -0.77415541E-09-0.25377709E-12 0.44799531E 05 0.22202606E 01 4 CD2O T 8/81C 1D 2O 1 0G 300.000 5000.000 1 0.46622076E+01 0.50203055E-02-0.18413848E-05 0.29739944E-09-0.17558905E-13 2 -0.15805738E+05-0.17819729E+01 0.25921259E+01 0.59901401E-02 0.39293818E-05 3 -0.62653172E-08 0.18746567E-11-0.14881922E+05 0.10376950E+02 4 CD3 T11/79C 1D 3 0 0G 300.000 5000.000 R1 0.44567032E 01 0.49626939E-02-0.17476059E-05 0.27139846E-09-0.15351469E-13 2 0.14782500E 05-0.23942318E 01 0.34687710E 01 0.49496330E-02 0.19827057E-05 3 -0.36768906E-08 0.12036257E-11 0.15276805E 05 0.35894156E 01 4 CD4 RRHO T05/79C 1D 4 0 0G 300.000 5000.000 1 0.47153826E 01 0.75838268E-02-0.27129208E-05 0.42667048E-09-0.24420637E-13 2 -0.12937410E 05-0.62130547E 01 0.19176292E 01 0.91806799E-02 0.47843714E-05 3 -0.88772119E-08 0.29830964E-11-0.11712711E 05 0.10117057E 02 4 CD4* ANHARM. T06/81C 1D 4 0 0G 300.000 5000.000 1 0.44482183E+01 0.81195608E-02-0.27020378E-05 0.43419712E-09-0.24605867E-13 2 -0.12860102E+05-0.47993603E+01 0.19425707E+01 0.89269280E-02 0.54267666E-05 3 -0.89088488E-08 0.28879408E-11-0.11714484E+05 0.10023487E+02 4 CF J 6/70C 1F 10 00 0G 300.000 5000.000 R1 0.36869679E 01 0.91143491E-03-0.36463855E-06 0.67482854E-10-0.45269596E-14 2 0.29478125E 05 0.41613468E 01 0.34655143E 01-0.68779805E-03 0.56784766E-05 3 -0.64582982E-08 0.22988248E-11 0.29655598E 05 0.58681916E 01 4 CF2 J 6/70C 1F 20 00 0G 300.000 5000.000 R1 0.52267142E 01 0.20837680E-02-0.99037278E-06 0.21264848E-09-0.15831114E-13 2 -0.23755847E 05-0.19240670E 01 0.27688821E 01 0.72372962E-02-0.16028152E-05 3 -0.45512379E-08 0.26648011E-11-0.23015786E 05 0.11124533E 02 4 CF3 J 6/69C 1F 30 00 0G 300.000 5000.000 R1 0.72012622E 01 0.30663935E-02-0.13144181E-05 0.24996925E-09-0.17550928E-13 2 -0.59238631E 05-0.10958873E 02 0.20650168E 01 0.16424158E-01-0.10838146E-04 3 -0.85317997E-09 0.23878070E-11-0.57811976E 05 0.15691530E 02 4 CF4 J 6/69C 1F 40 00 0G 300.000 5000.000 1 0.91644298E 01 0.41978941E-02-0.17971486E-05 0.34132082E-09-0.23934115E-13 2 -0.11571355E 06-0.23292961E 02 0.11656107E 01 0.27177786E-01-0.23317677E-04 3 0.55706566E-08 0.12861856E-11-0.11360052E 06 0.17670656E 02 4 CH SSNL121286C 1H 1 0 0G 300.000 5000.000 R1 2.19622326E 00 2.34038103E-03-7.05820128E-07 9.00758218E-11-3.85504007E-15 2 7.08672344E 04 9.17837334E 00 3.20020247E 00 2.07287562E-03-5.13443138E-06 3 5.73389025E-09-1.95553318E-12 7.04525938E 04 3.33158779E 00 4 CHCL L 3/84C 1H 1CL 1 0G 300.000 5000.000 48.47189 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 CHCL2 C 1H 1CL 2 0G 300.000 5000.000 83.92487 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 CHD3 T05/79C 1H 1D 3 0G 300.000 5000.000 1 0.40764599E 01 0.79434291E-02-0.27834194E-05 0.42990389E-09-0.24151396E-13 2 -0.12245391E 05-0.13617935E 01 0.21469107E 01 0.74287578E-02 0.56749586E-05 3 -0.77548528E-08 0.21464679E-11-0.11265895E 05 0.10438148E 02 4 CHO J12/70H 1C 1O 10 0G 300.000 5000.000 R1 0.34738348E+01 0.34370227E-02-0.13632664E-05 0.24928645E-09-0.17044331E-13 2 0.39594005E+04 0.60453340E+01 0.38840192E+01-0.82974448E-03 0.77900809E-05 3 -0.70616962E-08 0.19971730E-11 0.40563860E+04 0.48354133E+01 4 HCO J12/70H 1C 1O 10 0G 300.000 5000.000 R1 0.34738348E+01 0.34370227E-02-0.13632664E-05 0.24928645E-09-0.17044331E-13 2 0.39594005E+04 0.60453340E+01 0.38840192E+01-0.82974448E-03 0.77900809E-05 3 -0.70616962E-08 0.19971730E-11 0.40563860E+04 0.48354133E+01 4 CHO+ J12/70H 1C 1O 1E -1G 300.000 5000.000 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 4 CH2 SSNL120186C 1H 2 0 0G 300.000 5000.000 R1 3.63640785E 00 1.93305663E-03-1.68701632E-07-1.00989939E-10 1.80825576E-14 2 4.53413398E 04 2.15656066E 00 3.76223707E 00 1.15981908E-03 2.48958543E-07 3 8.80083562E-10-7.33243544E-13 4.53679063E 04 1.71257758E 00 4 CH2_1 SSNL 31287C 1H 2 0 0G 300.000 5000.000 R1 3.55288863E 00 2.06678826E-03-1.91411601E-07-1.10467337E-10 2.02134960E-14 2 4.98497539E 04 1.68657005E 00 3.97126508E 00-1.69908875E-04 1.02536887E-06 3 2.49255083E-09-1.98126628E-12 4.98936758E 04 5.75320721E-02 4 CH2_3 SSNL120186C 1H 2 0 0G 300.000 5000.000 R1 3.63640785E 00 1.93305663E-03-1.68701632E-07-1.00989939E-10 1.80825576E-14 2 4.53413398E 04 2.15656066E 00 3.76223707E 00 1.15981908E-03 2.48958543E-07 3 8.80083562E-10-7.33243544E-13 4.53679063E 04 1.71257758E 00 4 1CH2 SSNL 31287C 1H 2 0 0G 300.000 5000.000 R1 3.55288863E 00 2.06678826E-03-1.91411601E-07-1.10467337E-10 2.02134960E-14 2 4.98497539E 04 1.68657005E 00 3.97126508E 00-1.69908875E-04 1.02536887E-06 3 2.49255083E-09-1.98126628E-12 4.98936758E 04 5.75320721E-02 4 3CH2 SSNL120186C 1H 2 0 0G 300.000 5000.000 R1 3.63640785E 00 1.93305663E-03-1.68701632E-07-1.00989939E-10 1.80825576E-14 2 4.53413398E 04 2.15656066E 00 3.76223707E 00 1.15981908E-03 2.48958543E-07 3 8.80083562E-10-7.33243544E-13 4.53679063E 04 1.71257758E 00 4 CH2CL C 1H 2CL 1 0G 300.000 5000.000 49.47979 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 CH2D2 T05/79C 1H 2D 2 0G 300.000 5000.000 1 0.35087013E 01 0.81863180E-02-0.27852266E-05 0.41648370E-09-0.22470558E-13 2 -0.11595125E 05 0.18748598E 01 0.23866291E 01 0.57553649E-02 0.64751221E-05 3 -0.67107635E-08 0.13974620E-11-0.10846535E 05 0.94474039E 01 4 CH2O SSNL121286C 1H 2O 10 0G 300.000 5000.000 1 2.99560618E 00 6.68132119E-03-2.62895469E-06 4.73715289E-10-3.21251747E-14 2 -1.53203691E 04 6.91257238E 00 1.65273118E 00 1.26314387E-02-1.88816848E-05 3 2.05003143E-08-8.41323712E-12-1.48654043E 04 1.37848196E 01 4 CH2O2 HCOOH L 5/80C 1H 20 2 0G 300.000 5000.000 1 0.57878771E 01 0.75539909E-02-0.30995161E-05 0.54494809E-09-0.34704210E-13 2 -0.48191230E 05-0.65299015E 01 0.21183796E 01 0.11175469E-01 0.26270773E-05 3 -0.81816403E-08 0.30133404E-11-0.46669293E 05 0.14480175E 02 4 CH3 SSNL121286C 1H 3 0 0G 300.000 5000.000 R1 2.84405160E 00 6.13797410E-03-2.23034522E-06 3.78516080E-10-2.45215903E-14 2 1.64378086E 04 5.45269728E 00 2.43044281E 00 1.11240987E-02-1.68022034E-05 3 1.62182872E-08-5.86495262E-12 1.64237813E 04 6.78979397E 00 4 CH3NO2 T 1/81C 1H 3N 1O 2G 300.000 5000.000 1 0.72579584E+01 0.97425506E-02-0.32998314E-05 0.49756554E-09-0.27304449E-13 2 -0.12274141E+05-0.12664469E+02 0.16658440E+01 0.18138818E-01 0.12019345E-05 3 -0.12436082E-07 0.56004723E-11-0.10272887E+05 0.18221619E+02 4 CH3NO3 T09/81C 1H 3N 1O 3G 300.000 5000.000 1 0.10090198E+02 0.10290518E-01-0.37422951E-05 0.59494920E-09-0.34445171E-13 2 -0.18800801E+05-0.26184555E+02 0.30306816E+01 0.21521591E-01 0.11596558E-05 3 -0.16239241E-07 0.77263126E-11-0.16334395E+05 0.12570032E+02 4 CH3O U10/77C 1H 3O 1 0G 300.000 5000.000 R1 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 U 3/78H 3C 1O 1 0G 300.000 5000.00 R1 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 CH3OO L 1/84C 1H 3O 2 0G 300.000 5000.000 47.034 R1 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 1471.7 4 CH2O2H DUMMY L 1/84C 1H 3O 2 0G 300.000 5000.000 47.034 R1 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 1471.7 4 CH4 RRHO SSNL121296C 1H 4 0 0G 300.000 5000.000 1 1.68347883E 00 1.02372356E-02-3.87512864E-06 6.78558487E-10-4.50342312E-14 2 -1.00807871E 04 9.62339497E 00 7.78741479E-01 1.74766835E-02-2.78340904E-05 3 3.04970804E-08-1.22393068E-11-9.82522852E 03 1.37221947E 01 4 CH4* ANHARM. T05/79C 1H 4 00 0G 300.000 5000.000 1 0.20916119E+01 0.91304034E-02-0.27888073E-05 0.40232462E-09-0.20205537E-13 2 -0.10161687E+05 0.75069170E+01 0.29824648E+01 0.22276966E-02 0.83464556E-05 3 -0.48251323E-08 0.83841408E-13-0.10026887E+05 0.44046726E+01 4 CH3OH T 4/82C 1H 4O 1 0G 300. 5000. 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 CH3NH2 T09/81C 1H 5N 1 0G 300.000 5000.000 1 0.44235811E+01 0.11449948E-01-0.36999727E-05 0.52389848E-09-0.26375054E-13 2 -0.49847539E+04-0.42785645E+00 0.27267694E+01 0.10014653E-01 0.67409546E-05 3 -0.98750093E-08 0.30637376E-11-0.40688989E+04 0.10201913E+02 4 CN J 6/69C 1N 10 00 0G 300.000 5000.000 R1 0.36036285E 01 0.33644390E-03 0.10028933E-06-0.16318166E-10-0.36286722E-15 2 0.51159833E 05 0.35454505E 01 0.37386307E 01-0.19239224E-02 0.47035189E-05 3 -0.31113000E-08 0.61675318E-12 0.51270927E 05 0.34490218E 01 4 CNN J 6/66C 1N 200 000 0G 300.000 5000.000 R1 0.48209077E 01 0.24790014E-02-0.94644109E-06 0.16548764E-09-0.10899129E-13 2 0.68685948E 05-0.48484039E 00 0.35077779E 01 0.72023958E-02-0.75574589E-05 3 0.42979217E-08-0.94257935E-12 0.68994281E 05 0.60234964E 01 4 CN2 NCN J12/70C 1N 20 00 0G 300.000 5000.000 R1 0.55626268E+01 0.20860606E-02-0.88123724E-06 0.16505783E-09-0.11366697E-13 2 0.54897907E+05-0.55989355E+01 0.32524003E+01 0.70010737E-02-0.22653599E-05 3 -0.28939808E-08 0.18270077E-11 0.55609085E+05 0.66966778E+01 4 CO SNLL121286C 1O 100 000 0G 300.000 5000.000 1 3.02507806E 00 1.44268852E-03-5.63082779E-07 1.01858133E-10-6.91095156E-15 2 -1.42683496E 04 6.10821772E 00 3.26245165E 00 1.51194085E-03-3.88175522E-06 3 5.58194424E-09-2.47495123E-12-1.43105391E 04 4.84889698E 00 4 C2O2 DUMMY SNLL121286C 1O 100 000 0G 300.000 5000.000 1 3.02507806E 00 1.44268852E-03-5.63082779E-07 1.01858133E-10-6.91095156E-15 2 -1.42683496E 04 6.10821772E 00 3.26245165E 00 1.51194085E-03-3.88175522E-06 3 5.58194424E-09-2.47495123E-12-1.43105391E 04 4.84889698E 00 4 COCL J12/65C 1O 1CL 100 0G 300.000 5000.000 R1 0.54291236E 01 0.16121535E-02-0.66006280E-06 0.12127114E-09-0.82858601E-14 2 -0.93305007E 04 0.36971816E 00 0.42863792E 01 0.50868980E-02-0.50729411E-05 3 0.29647983E-08-0.77093453E-12-0.90125212E 04 0.62380308E 01 4 COCL2 J 6/61C 1O 1CL 200 0G 300.000 5000.000 1 0.77318082E 01 0.24089287E-02-0.10111133E-05 0.18936214E-09-0.13139356E-13 2 -0.29136566E 05-0.11221674E 02 0.31156139E 01 0.18478674E-01-0.22420544E-04 3 0.12868184E-07-0.27360805E-11-0.28043884E 05 0.11755299E 02 4 COF J12/65C 1O 1F 100 0G 300.000 5000.000 R1 0.48908214E 01 0.22179703E-02-0.92550725E-06 0.17270120E-09-0.11955343E-13 2 -0.22357984E 05 0.97962087E 00 0.32019727E 01 0.55837770E-02-0.14905481E-05 3 -0.23126069E-08 0.13614353E-11-0.21817043E 05 0.10047576E 02 4 COF2 J12/69C 1O 1F 20 0G 300.000 5000.000 1 0.65540365E 01 0.36729542E-02-0.15470211E-05 0.29065749E-09-0.20226548E-13 2 -0.79321725E 05-0.81127751E 01 0.17973047E 01 0.16588712E-01-0.12553807E-04 3 0.20091842E-08 0.11090061E-11-0.78009422E 05 0.16478049E 02 4 COS J 3/61C 1O 1S 100 0G 300.000 5000.000 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 4 CO2 SSNL121286C 1O 200 000 0G 300.000 5000.000 1 4.45362282E 00 3.14016873E-03-1.27841054E-06 2.39399667E-10-1.66903319E-14 2 -4.89669609E 04-9.55395877E-01 2.27572465E 00 9.92207229E-03-1.04091132E-05 3 6.86668678E-09-2.11728009E-12-4.83731406E 04 1.01884880E 01 4 COOH equilib ATcT/AC 1.O 2.H 1. 0.G 200.000 6000.000 B 45.01744 1 5.39206152E+00 4.11221455E-03-1.48194900E-06 2.39875460E-10-1.43903104E-14 2 -2.38606717E+04-2.23529091E+00 2.92207919E+00 7.62453859E-03 3.29884437E-06 3 -1.07135205E-08 5.11587057E-12-2.30281524E+04 1.12925886E+01-2.18076591E+04 4 CS J12/76C 1S 100 000 0G 300.000 5000.000 R1 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 4 CS2 J12/76C 1S 20 00 0G 300.000 5000.000 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 4 C2 J12/69C 20 00 00 0G 300.000 5000.000 R1 0.40435359E 01 0.20573654E-03 0.10907575E-06-0.36427874E-10 0.34127865E-14 2 0.99709486E 05 0.12775158E 01 0.74518140E 01-0.10144686E-01 0.85879735E-05 3 0.87321100E-09-0.24429792E-11 0.98911989E 05-0.15846678E 02 4 C2CL2 J12/68C 2CL 20 00 0G 300.000 5000.000 1 0.81728547E 01 0.23659892E-02-0.96552505E-06 0.17736148E-09-0.12135203E-13 2 0.22510190E 05-0.14916744E 02 0.50229482E 01 0.14082667E-01-0.18095669E-04 3 0.11610348E-07-0.28817478E-11 0.23227482E 05 0.59684170E 00 4 C2D2 T 8/80C 2D 2 0 0G 300.000 5000.000 1 0.57631445E+01 0.39823391E-02-0.14399011E-05 0.21952536E-09-0.12146185E-13 2 0.24641469E+05-0.92923393E+01 0.37629929E+01 0.83192550E-02-0.22101658E-05 3 -0.40820787E-08 0.27229842E-11 0.25258297E+05 0.13225250E+01 4 C2D2O KETEN-D2 T10/82C 2D 2O 1 0G 300.000 5000.000 44.0496 1 0.68584700E+01 0.55908523E-02-0.19912059E-05 0.31183456E-09-0.17762101E-13 2 0.21307729E+04-0.11535155E+02 0.34471798E+01 0.11882458E-01-0.17057137E-05 3 -0.64614767E-08 0.35897769E-11 0.32729224E+04 0.69507427E+01 1489.9 4 C2D4 T12/79C 2D 4 0 0G 300.000 5000.000 1 0.67207203E 01 0.84912479E-02-0.30327419E-05 0.47564219E-09-0.27109157E-13 2 0.62753809E 03-0.14438146E 02 0.13294621E 01 0.17719518E-01-0.13082199E-05 3 -0.10431190E-07 0.53182406E-11 0.24874675E 04 0.15012101E 02 4 CD3CDO ETHENAL T 8/81C 2D 4O 1 0G 300. 5000. 1 0.85226345E+01 0.92743672E-02-0.33571869E-05 0.53372684E-09-0.30898383E-13 2 -0.25431613E+05-0.19842667E+02 0.24537258E+01 0.18615011E-01 0.81830109E-06 3 -0.12927025E-07 0.59826883E-11-0.23262375E+05 0.13635018E+02 4 C2D6 T05/80C 2D 6 0 0G 300.000 4000.000 1 0.87366476E+01 0.11772312E-01-0.42297552E-05 0.66704353E-09-0.38247847E-13 2 -0.17392641E 05-0.25933151E 02 0.81539208E 00 0.24633620E-01 0.28606987E-07 3 -0.16559884E-07 0.79903445E-11-0.14620465E 05 0.97529633E 02 4 C2D6N2 AZOMETHANL 8/84C 2D 6N 2 0G 300.000 5000.000 64.12001 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 52.10601 1 0.10630716E+02 0.12416139E-01-0.44895924E-05 0.71285688E-09-0.41213699E-13 2 -0.29983387E+05-0.32505524E+02 0.16130285E+01 0.27251996E-01 0.22420198E-06 3 -0.19127672E-07 0.92674445E-11-0.26856473E+05 0.16880051E+02 1909.3 4 C2F2 J12/67C 2F 20 00 0G 300.000 5000.000 1 0.75164581E 01 0.31686462E-02-0.13311385E-05 0.24960049E-09-0.17342072E-13 2 -0.16107655E 03-0.15081225E 02 0.35345837E 01 0.14445845E-01-0.12189692E-04 3 0.36042985E-08 0.19118951E-12 0.92133562E 03 0.54063023E 01 4 C2F4 J 6/69C 2F 40 00 0G 300.000 5000.000 1 0.11086468E 02 0.52788429E-02-0.22354400E-05 0.42166846E-09-0.29433914E-13 2 -0.83292884E 05-0.29880044E 02 0.36166183E 01 0.26488618E-01-0.22433266E-04 3 0.62286445E-08 0.62149244E-12-0.81277242E 05 0.85106010E 01 4 C2H SNLL020387C 2H 1 0 0G 300.000 5000.000 25.02990R1 4.42768812E 00 2.21626856E-03-6.04895263E-07 9.88251703E-11-7.35117957E-15 2 6.59041484E 04-1.19944179E 00 3.05066776E 00 6.05167449E-03-4.95663426E-06 3 2.80415913E-09-8.19333208E-13 6.63001094E 04 5.95436096E 00 1185.4 4 C2HF J12/67C 2H 1F 10 0G 300.000 5000.000 1 0.60949501E 01 0.39432428E-02-0.14711438E-05 0.25294641E-09-0.16446663E-13 2 0.12976907E 05-0.83285075E 01 0.26901770E 01 0.17680853E-01-0.22749855E-04 3 0.14920568E-07-0.37381925E-11 0.13683223E 05 0.81338073E 01 4 CHCO T10/82C 2H 1O 1 0G 300.000 5000.000 41.0293 R1 0.45077200E+01 0.43579005E-02-0.13757026E-05 0.18988289E-09-0.92407330E-14 2 0.92941846E+03 0.26024265E+01 0.39291782E+01 0.56519806E-02-0.14746602E-05 3 -0.16703900E-08 0.12344639E-11 0.11102358E+04 0.56634159E+01 1351.8 4 HCCO 32387H 1C 2O 1 G 300.000 4000.000 1000.00 1 6.75807285E+00 2.00040033E-03-2.02760731E-07-1.04113183E-10 1.96516472E-14 2 1.90151328E+04-9.07126236E+00 5.04796505E+00 4.45347792E-03 2.26828277E-07 3 -1.48209456E-09 2.25074150E-13 1.96589180E+04 4.81843948E-01 4 C2H2 SNLL121386C 2H 200 000 0G 300.000 5000.000 1 4.43677044E 00 5.37603907E-03-1.91281674E-06 3.28637895E-10-2.15670953E-14 2 2.56676641E 04-2.80033827E 00 2.01356220E 00 1.51904458E-02-1.61631888E-05 3 9.07899178E-09-1.91274600E-12 2.61244434E 04 8.80537796E 00 4 CH2CO (KETEN) T10/82C 2H 2O 1 0G 300.000 5000. 42.0372 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 1419.1 4 KETE T10/82C 2H 2O 1 0G 300.000 5000. 42.0372 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 1419.1 4 H3C2 DUMMY 012887C 2H 3 0 0G 300.000 5000.000 R1 5.93346787E+00 4.01774561E-03-3.96673954E-07-1.44126655E-10 2.37864351E-14 2 3.00000000E+04-8.53031254E+00 2.45927644E+00 7.37147639E-03 2.10987287E-06 3 -1.32164213E-09-1.18478383E-12 3.00000000E+04 1.15562019E+01 4 C2H3 SNLL012887C 2H 3 0 0G 300.000 5000.000 R1 5.93346787E+00 4.01774561E-03-3.96673954E-07-1.44126655E-10 2.37864351E-14 2 3.18543457E+04-8.53031254E+00 2.45927644E+00 7.37147639E-03 2.10987287E-06 3 -1.32164213E-09-1.18478383E-12 3.33522500E+04 1.15562019E+01 4 CH2CH T 8/81C 2H 3 0 0G 300.000 5000.000 R1 0.40913172E+01 0.73747411E-02-0.24263809E-05 0.35108782E-09-0.18219093E-13 2 0.29399117E+05 0.16772680E+01 0.19295549E+01 0.90625472E-02 0.34292807E-05 3 -0.83374339E-08 0.32886263E-11 0.30275852E+05 0.14064019E+02 4 C2H3N G T04/80C 2H 3N 1 0G 300.000 5000.000 1 0.54956026E 01 0.89018531E-02-0.29834273E-05 0.43930859E-09-0.23263757E-13 2 0.81332734E 04-0.55127306E 01 0.28112087E 01 0.11668280E-01 0.18374703E-05 3 -0.75577553E-08 0.30708968E-11 0.92079258E 04 0.97456837E 01 4 CH3CO (ACYL) T10/82C 2H 3O 1 0G 300.000 5000.0 43.0451 R1 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 1520.4 4 ACYL ***** T10/82C 2H 3O 1 0G 300.000 5000.0 43.0451 R1 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 1520.4 4 CH2CHO T04/83O 1H 3C 2 0G 300. 5000. 43.0451 R1 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 1552.7 4 O2CH2CHO CH2CHO T04/83O 1H 3C 2 0G 300. 5000. 43.0451 R1 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 1552.7 4 C2H4 SNLL121286C 2H 4 0 0G 300.000 5000.000 1 3.52841878E 00 1.14851845E-02-4.41838529E-06 7.84460053E-10-5.26684849E-14 2 4.42828857E 03 2.23038912E 00-8.61487985E-01 2.79616285E-02-3.38867721E-05 3 2.78515220E-08-9.73787891E-12 5.57304590E 03 2.42114868E 01 4 C2H4O ETH-OXID J 9/65C 2H 4O 1 0G 300.000 5000.000 1 0.59249249E 01 0.11120714E-01-0.37434083E-05 0.55413918E-09-0.29549886E-13 2 -0.93028008E 04-0.93792849E 01-0.24173594E 00 0.20761095E-01 0.21481201E-05 3 -0.16948157E-07 0.81075771E-11-0.71720117E 04 0.24432190E 02 4 CH3CHO ACETALD T 8/81C 2O 1H 4 0G 300.000 5000.000 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 ACAL T 8/81C 2O 1H 4 0G 300.000 5000.000 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 CH3COOH L 5/80C 2H 4O 2 0G 300.000 5000.000 1 0.80115623E 01 0.12846351E-01-0.48638476E-05 0.80297502E-09-0.48234623E-13 2 -0.55871125E 05-0.17325912E 02 0.12057524E 01 0.22100847E-01 0.23546336E-05 3 -0.16049182E-07 0.71368233E-11-0.53322684E 05 0.20644348E 02 4 C2H4O4 L 5/80C 2H 4O 4 G 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0.80488420E-11-0.38464519E+04 0.19135818E+02 1606.9 4 CH3CHOH T 4/83C 2O 1H 5 0G 300.000 5000. 45.0609 R1 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 1709.7 4 CH2OCH3 T11/82C 2H 5O 1 0G 300.000 5000.0 45.0609 R1 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2 -0.40282515E+04-0.81434402E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3 -0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92718735E+01 1766.4 4 C2H6 T12/78C 2H 6 0 0G 300.000 4000.000 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 C2H6N2 T 8/81C 2H 6N 2 G 300.000 5000.000 58.08280 1 0.81902246E 01 0.15981115E-01-0.53652748E-05 0.79098639E-09-0.41925359E-13 2 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0.4073421E 01 0.2490737E-01 -0.1322954E-04 0.3415906E-08 -0.3487446E-12 2 0.3397542E 05 0.4312130E 01 -0.1950923E 01 0.5328144E-01 -0.6530677E-04 3 0.4699422E-07 -0.1420488E-10 0.3504846E 05 0.3252930E 02 4 C4H6 T12/82C 4H 6 0 0G 300.000 5000.000 54.091 1 0.80465832E+01 0.16485251E-01-0.55222272E-05 0.81235929E-09-0.42950784E-13 2 0.13701305E+05-0.18004578E+02 0.31971083E+01 0.20255916E-01 0.65101922E-05 3 -0.16584423E-07 0.64002822E-11 0.15715203E+05 0.98956604E+01 2029.7 4 1,3-C4H6 A 8/83C 4H 6 0 0G 300. 3000. 54.0914 1 0.7130943E 01 0.2064008E-01 -0.9323906E-05 0.2147307E-08 -0.2061361E-12 2 0.9612654E 04 -0.1418538E 02 -0.2530900E 01 0.5387969E-01 -0.5173933E-04 3 0.2510720E-07 -0.4324726E-11 0.1187691E 05 0.3390072E 02 4 1,2-C4H6 A 8/83C 4H 6 0 0G 300. 3000. 54.0914 1 0.1781557E 02 -0.4257502E-02 0.1051185E-04 -0.4473844E-08 0.5848138E-12 2 0.1267342E 05 -0.6983978E 02 0.1023467E 01 0.3495919E-01 -0.2200905E-04 3 0.6942272E-08 -0.7879187E-12 0.1811799E 05 0.1973750E 02 4 N-C4H7 A 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300.000 5000.00 56.104 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 2047.4 4 C4H8-2 T 6/83C 4H 8 0 0G 300.000 5000.00 56.104 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 2047.4 4 BU2* T 6/83C 4H 8 0 0G 300.000 5000.00 56.104 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 2047.4 4 C-2-C4H8 T 6/83C 4H 8 0 0G 300.000 5000. 56.104 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 2071.7 4 C4H8O4 L 5/80C 4H 80 4 0G 300.000 5000.000 1 0.16908463E 02 0.24005935E-01-0.80971395E-05 0.11987000E-08-0.63810502E-13 2 -0.11940706E 06-0.56992554E 02 0.38786602E 01 0.43348286E-01 0.58980841E-05 3 -0.35640014E-07 0.16467286E-10-0.11481000E 06 0.14821056E 02 4 N-C4H9 L 4/84C 4H 9 0 0G 300.000 5000.000 57.11510R1 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 2381.1 4 PC4H9 L 4/84C 4H 9 0 0G 300.000 5000.000 57.11510R1 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 2381.1 4 P-C4H9 L 4/84C 4H 9 0 0G 300.000 5000.000 57.11510R1 0.90049105E 01 0.24003319E-01-0.89551868E-05 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300.000 5000.000 R1 0.11329175E+02 0.74240565E-02-0.26281887E-05 0.40825410E-09-0.23013326E-13 2 0.78787062E+05-0.36171173E+02 0.30623217E+01 0.27099982E-01-0.10091697E-04 3 -0.12727451E-07 0.91672191E-11 0.81149687E+05 0.70710783E+01 4 C5H3 T12/81C 5H 3 0 0G 300.000 5000.000 R1 0.10787622E+02 0.95396191E-02-0.32067446E-05 0.47333226E-09-0.25121354E-13 2 0.63929043E+05-0.30054443E+02 0.43287201E+01 0.23524802E-01-0.58567230E-05 3 -0.12154494E-07 0.77264783E-11 0.65885312E+05 0.41732588E+01 2067.2 4 C5H5 =C7H7DUMM T 9/81C 7H 7 0 0G 300.000 5000.000 R1 0.14765557E+02 0.21834318E-01-0.74497539E-05 0.11167121E-08-0.60388706E-13 2 0.16991187E+05-0.56287125E+02-0.20902777E+01 0.53650826E-01-0.37096879E-05 3 -0.38106585E-07 0.20462368E-10 0.22393387E+05 0.34406097E+02 4 N-C5H5 DUMMY T12/81C 5H 6 0 0G 300.000 5000.000 1 0.96898146E+01 0.18382620E-01-0.62648842E-05 0.93933772E-09-0.50877081E-13 2 0.11021242E+05-0.31229080E+02-0.31967392E+01 0.40813610E-01 0.68165053E-06 3 -0.31374590E-07 0.15772231E-10 0.15290676E+05 0.38699387E+02 4 C5H6 T12/81C 5H 6 0 0G 300.000 5000.000 1 0.96898146E+01 0.18382620E-01-0.62648842E-05 0.93933772E-09-0.50877081E-13 2 0.11021242E+05-0.31229080E+02-0.31967392E+01 0.40813610E-01 0.68165053E-06 3 -0.31374590E-07 0.15772231E-10 0.15290676E+05 0.38699387E+02 4 C5H8 L 2/84C 5H 8 0 0G 300.000 5000.000 68.11819 1 0.10138640E 02 0.22714138E-01-0.77910463E-05 0.11876522E-08-0.65932448E-13 2 -0.17218359E 04-0.33125885E 02-0.24190111E 01 0.40430389E-01 0.67802339E-05 3 -0.33724742E-07 0.15116713E-10 0.28121887E 04 0.36459244E 02 1812. 4 C5H9 ***** L 2/84C 5H 8 0 0G 300.000 5000.000 68.11819 1 0.10138640E 02 0.22714138E-01-0.77910463E-05 0.11876522E-08-0.65932448E-13 2 -0.17218359E 04-0.33125885E 02-0.24190111E 01 0.40430389E-01 0.67802339E-05 3 -0.33724742E-07 0.15116713E-10 0.28121887E 04 0.36459244E 02 1812. 4 1-C5H10 1-P12/52C 5H 10 0 0G 300.000 5000.000 70.13400 1 0.12541454E 02 0.23941070E-01-0.77445529E-05 0.11157970E-08-0.57968116E-13 2 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0.19424835E 02 0.55097108E 04 4 1C5H11 ***** N-P10/83C 5H 11 0 0G 300.000 5000.000 71.1419 R1 0.10655191E 02 0.30939266E-01-0.11790597E-04 0.20557831E-08-0.13404848E-12 2 0.19175217E 02-0.27526215E 02 0.21950912E 01 0.41291509E-01 0.65852419E-05 3 -0.33751508E-07 0.15405399E-10 0.30218318E 04 0.19424835E 02 0.55097108E 04 4 T-C5H11 T-L 9/84C 5H 11 0 0G 300.000 5000.000 71.14190 1 0.10507399E 02 0.28597217E-01-0.96282256E-05 0.14208383E-08-0.75411140E-13 2 -0.20298711E 04-0.27535645E 02 0.88587590E-02 0.38571734E-01 0.13021267E-04 3 -0.34395303E-07 0.13615383E-10 0.21474771E 04 0.32202469E 02 0.39209031E 04 4 TC5H11 T-L 9/84C 5H 11 0 0G 300.000 5000.000 71.14190 1 0.10507399E 02 0.28597217E-01-0.96282256E-05 0.14208383E-08-0.75411140E-13 2 -0.20298711E 04-0.27535645E 02 0.88587590E-02 0.38571734E-01 0.13021267E-04 3 -0.34395303E-07 0.13615383E-10 0.21474771E 04 0.32202469E 02 0.39209031E 04 4 NEOC5H11 PROV. 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0.11240806E-08-0.73075660E-13 2 0.56453730E+05-0.29693100E+02-0.13004847E+01 0.38664766E-01-0.36439442E-05 3 -0.26685807E-07 0.14509357E-10 0.60029074E+05 0.31249390E+02 4 C6H5 L 1/84C 6H 5 0 0G 300.000 5000.000 77.10550 1 0.11436832E 02 0.17008297E-01-0.58317619E-05 0.87916097E-09-0.47893364E-13 2 0.33940402E 05-0.38596527E 02-0.22939854E 01 0.42455945E-01-0.18557939E-05 3 -0.31337944E-07 0.16476570E-10 0.38371484E 05 0.35424911E 02 0.39502977E 05 4 N-C6H5 DUMMY L 1/84C 6H 5 0 0G 300.000 5000.000 77.10550 1 0.11436832E 02 0.17008297E-01-0.58317619E-05 0.87916097E-09-0.47893364E-13 2 0.33940402E 05-0.38596527E 02-0.22939854E 01 0.42455945E-01-0.18557939E-05 3 -0.31337944E-07 0.16476570E-10 0.38371484E 05 0.35424911E 02 0.39502977E 05 4 C6H4OH DUMMY L 4/84C 6H 5O 1 0G 300.000 5000.000 93.10489R1 0.13852844E 02 0.17581627E-01-0.60463981E-05 0.91406949E-09-0.49949065E-13 2 -0.69898877E 03-0.50488541E 02-0.17797079E 01 0.47875348E-01-0.41881431E-05 3 -0.34416804E-07 0.18761673E-10 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0.13468589E-04 3 -0.58320591E-07 0.26347424E-10-0.28872742E 05 0.21120300E 02 4 I-C8H18 T 7/80C 8H 18 0 0G 300.000 5000.000 1 0.21708740E 02 0.45720968E-01-0.14820756E-04 0.21025155E-08-0.10605221E-12 2 -0.36258039E 05-0.92011612E 02 0.11759005E 01 0.73226452E-01 0.11216891E-04 3 -0.55649959E-07 0.24636362E-10-0.28667469E 05 0.22365265E 02 4 IC8H18 T 7/80C 8H 18 0 0G 300.000 5000.000 1 0.21708740E 02 0.45720968E-01-0.14820756E-04 0.21025155E-08-0.10605221E-12 2 -0.36258039E 05-0.92011612E 02 0.11759005E 01 0.73226452E-01 0.11216891E-04 3 -0.55649959E-07 0.24636362E-10-0.28667469E 05 0.22365265E 02 4 N-C9H19 N-P10/83C 9H 19 0 0G 300.000 5000.000 127.2491 R1 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 C10D8 T 9/82C 10D 8 0 0G 300.000 5000.000 136.22281 1 0.24693802E+02 0.25579888E-01-0.93010221E-05 0.14824513E-08-0.85934623E-13 2 0.29915154E+04-0.11212885E+03-0.29223614E+01 0.80820084E-01-0.12762395E-04 3 -0.52788202E-07 0.30022318E-10 0.11687422E+05 0.35690598E+02 2844.0 4 H8C10 T 9/82H 8C 10 0 0G 300.000 5000. 128.1732 1 0.19087189E+02 0.28716661E-01-0.98752744E-05 0.14930039E-08-0.81601501E-13 2 0.24276551E+05-0.81962631E+02-0.48537226E+01 0.73454738E-01-0.38748985E-05 3 -0.53900077E-07 0.28514219E-10 0.31977461E+05 0.46992599E+02 2449.7 4 C10H8 9/82 C 10H 8 0 0G 300.000 5000.000 128.1732 1 0.19726501E+02 0.28167639E-01-0.96896429E-05 0.14654855E-08-0.80134955E-13 2 0.85581797E+04-0.86023239E+02-0.46547480E+01 0.74611127E-01-0.53069607E-05 3 -0.54125859E-07 0.29066527E-10 0.16325324E+05 0.45005463E+02 2491.13 4 N-C10H21 N-P10/83C 10H 21 0 0G 300.000 5000.000 141.2759 R1 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 O-C12H9 O-L 1/84C 12H 9 0 0G 300.000 5000.000 153.20310 1 0.24023865E 02 0.31809665E-01-0.11027002E-04 0.16776169E-08-0.92268857E-13 2 0.40086453E 05-0.10351401E 03-0.39727516E 01 0.85021615E-01-0.57617590E-05 3 -0.62286745E-07 0.33391831E-10 0.49016336E 05 0.46985733E 02 0.51449478E 05 4 C12H9 DUMMY O-L 1/84C 12H 9 0 0G 300.000 5000.000 153.20310 1 0.24023865E 02 0.31809665E-01-0.11027002E-04 0.16776169E-08-0.92268857E-13 2 0.40086453E 05-0.10351401E 03-0.39727516E 01 0.85021615E-01-0.57617590E-05 3 -0.62286745E-07 0.33391831E-10 0.49016336E 05 0.46985733E 02 0.51449478E 05 4 C12H10 T 1/83C 12H 10 0 0G 300.000 5000.000 154.21100 1 0.24447067E 02 0.33886459E-01-0.11689927E-04 0.17696786E-08-0.96752792E-13 2 0.10195320E 05-0.10875969E 03-0.49442949E 01 0.90004861E-01-0.65639761E-05 3 -0.65397273E-07 0.35217579E-10 0.19547777E 05 0.49147827E 02 0.21900244E 05 4 C14H14 A 6/83C 14H 14 0 0G 300. 3000. 182.2646 1 0.7292035E 01 0.9250200E-01 -0.5168641E-04 0.1362709E-07 -0.1381148E-11 2 0.1031673E 05 -0.1134054E 02 -0.1388958E 02 0.1720984E 00 -0.1700660E-03 3 0.9601888E-07 -0.2373253E-10 0.1503234E 05 0.9269420E 02 4 C24H18 U10/78C 24H 18 0 0G 300.000 5000.000 1 0.49104904E+02 0.64315677E-01-0.23532120E-04 0.39017642E-08-0.23995102E-12 2 0.20562879E+05-0.23493062E+03-0.12553463E+01 0.17089677E+00-0.51354727E-04 3 -0.11426977E-06 0.89534297E-10 0.38495016E+05 0.37223114E+02 4 SOOT ******** U06/78C 8H 2 0 0G 300.000 5000.000 1 0.15680213E+02 0.11154614E-01-0.37243726E-05 0.51978910E-09-0.23755503E-13 2 0.10811225E+06-0.55714371E+02 0.46304274E+01 0.39370801E-01-0.11480348E-04 3 -0.25622136E-07 0.16707913E-10 0.11082850E+06 0.80774248E+00 4 CL J 6/72CL 1 0 0 0G 300.000 5000.000 1 0.29537796E+01-0.40792712E-03 0.15288342E-06-0.26384345E-10 0.17206581E-14 2 0.13695677E+05 0.30667325E+01 0.20774281E+01 0.29487169E-02-0.43919732E-05 3 0.24499776E-08-0.41007685E-12 0.13871928E+05 0.73136343E+01 4 CLCN J 6/66CL 1C 1N 100 0G 300.000 5000.000 1 0.54920021E 01 0.20987248E-02-0.77415914E-06 0.13823882E-09-0.92334864E-14 2 0.14749161E 05-0.37436191E 01 0.33390854E 01 0.10397468E-01-0.13704650E-04 3 0.95061962E-08-0.25925260E-11 0.15237539E 05 0.68178759E 01 4 CLF J 6/77CL 1F 100 000 0G 300.000 5000.000 R1 0.28486233E+01 0.31733279E-02-0.20523387E-05 0.52162733E-09-0.37472262E-13 2 -0.69278824E+04 0.93038417E+01 0.26445569E+01 0.62481256E-02-0.90354351E-05 3 0.63400575E-08-0.17435372E-11-0.70469106E+04 0.96172731E+01 4 CLF3 J 9/65CL 1F 300 000 0G 300.000 5000.000 1 0.89535967E 01 0.11722163E-02-0.50896188E-06 0.97563489E-10-0.68858731E-14 2 -0.22075968E 05-0.18094713E 02 0.28949119E 01 0.24718550E-01-0.35139323E-04 3 0.22559591E-07-0.53261978E-11-0.20798640E 05 0.11368534E 02 4 CLO J 6/61CL 1O 100 000 0G 300.000 5000.000 1 0.40912619E 01 0.50003126E-03-0.18778206E-06 0.35097671E-10-0.24205038E-14 2 0.10853223E 05 0.36057382E 01 0.28179364E 01 0.44531333E-02-0.44124893E-05 3 0.15920942E-08-0.14486242E-13 0.11171397E 05 0.10044828E 02 4 CLO2 J 3/61CL 1O 200 000 0G 300.000 5000.000 1 0.57249758E 01 0.14645230E-02-0.59984351E-06 0.11388750E-09-0.79794776E-14 2 0.10606264E 05-0.25921838E 01 0.28878166E 01 0.92876008E-02-0.70824040E-05 3 0.63453376E-09 0.96801605E-12 0.11367377E 05 0.12006873E 02 4 CLOO L 4/84CL 1O 2 0 0G 300.000 5000.000 67.45180 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 CL2 J 9/65CL 200 000 000 0G 300.000 5000.000 1 0.43077814E 01 0.31182816E-03-0.15310807E-06 0.44511913E-10-0.43057753E-14 2 -0.13458251E 04 0.20666684E 01 0.31316886E 01 0.48997877E-02-0.69411463E-05 3 0.44785641E-08-0.10621859E-11-0.10979696E 04 0.77833424E 01 4 CL2O J12/65CL 2O 100 000 0G 300.000 5000.000 1 0.64340062E 01 0.62728809E-03-0.26933252E-06 0.51076394E-10-0.35691545E-14 2 0.84860530E 04-0.49498767E 01 0.32545238E 01 0.12799449E-01-0.17882460E-04 3 0.11264383E-07-0.25964252E-11 0.91657423E 04 0.10558058E 02 4 D J 3/77D 1 G 300.000 5000.000 R1 0.25 E+01 0. 0. 0. 0. 2 0.25921761E+05 0.57845408E+00 0.25 E+01 0. 0. 3 0. 0. 0.25921761E+05 0.57845408E+00 4 DCL J 6/77D 1CL 1 0 0G 300.000 5000.000 1 0.29572034E+01 0.15918160E-02-0.63320272E-06 0.11755658E-09-0.81599911E-14 2 -0.12173515E+05 0.58856456E+01 0.38269213E+01-0.25013326E-02 0.60466124E-05 3 -0.44837519E-08 0.11367641E-11-0.12301921E+05 0.18786267E+01 4 DF J 6/77D 1F 1 0 0G 300.000 5000.000 1 0.27264620E+01 0.15091293E-02-0.51704938E-06 0.85485371E-10-0.54196024E-14 2 -0.33936940E+05 0.58166575E+01 0.34981386E+01 0.22176793E-03-0.13320240E-05 3 0.25619493E-08-0.11512241E-11-0.34183232E+05 0.16419163E+01 4 D2 J 3/77D 2 0 0 0G 300.000 5000.000 1 0.28345604E+01 0.12769562E-02-0.35157262E-06 0.47151782E-10-0.21806160E-14 2 -0.83293848E+03 0.10613022E+01 0.36185608E+01-0.62479009E-03 0.90200223E-06 3 0.91954319E-10-0.18281335E-12-0.10589973E+04-0.30491915E+01 4 D2O J 6/77D 2O 1 0 0G 300.000 5000.000 1 0.27264595E+01 0.39845173E-02-0.14932626E-05 0.26349772E-09-0.17649557E-13 2 -0.30902638E+05 0.73050385E+01 0.38541431E+01 0.14712288E-03 0.30069006E-05 3 -0.17747628E-08 0.23018862E-12-0.31151651E+05 0.17202570E+01 4 D2O2 R 78 D 2O 2 0 0G 300.000 5000.000 1 0.53462811E+01 0.38918597E-02-0.13136314E-05 0.20201987E-09-0.11233771E-13 2 -0.19302543E+05-0.29733829E+01 0.34752569E+01 0.72003081E-02-0.12431274E-05 3 -0.23989009E-08 0.10817658E-11-0.18677613E+05 0.72012196E+01 4 D2S J 6/77D 2S 1 0 00G 300.000 5000.000 1 0.36662901E+01 0.34992264E-02-0.14207284E-05 0.26685639E-09-0.18684739E-13 2 -0.42147308E+04 0.37862870E+01 0.38070824E+01 0.37596311E-03 0.57530799E-05 3 -0.53485740E-08 0.14054083E-11-0.40661219E+04 0.38658748E+01 4 e- (SANDIA) G 300.000 5000.000 1000.000 1 2.5 E+00 0.0 0.0 0.0 0.0 2 -7.45374939E+02-1.17340260E+01 2.5 E+00 0.0 0.0 3 0.0 0.0 -7.45375000E+02-1.17340260E+01 4 F J 9/65F 100 000 000 0G 300.000 5000.000 R1 0.27004353E 01-0.22293182E-03 0.97941385E-07-0.19123038E-10 0.13768154E-14 2 0.87163617E 04 0.38067182E 01 0.28128740E 01-0.33023098E-05-0.12897310E-05 3 0.16837365E-08-0.64587833E-12 0.86604019E 04 0.30984198E 01 4 FCN J 6/69F 1C 1N 10 0G 300.000 5000.000 1 0.50898557E 01 0.24170684E-02-0.97682766E-06 0.17813442E-09-0.12118567E-13 2 0.25780781E 04-0.28859455E 01 0.32516941E 01 0.83073144E-02-0.83666358E-05 3 0.44125644E-08-0.90882423E-12 0.30551198E 04 0.64289832E 01 4 FO J12/66F 1O 100 000 0G 300.000 5000.000 1 0.39192774E 01 0.70442345E-03-0.26648204E-06 0.49617599E-10-0.33688571E-14 2 0.11798193E 05 0.33155951E 01 0.29680024E 01 0.26483393E-02-0.37368005E-06 3 -0.19006225E-08 0.10614283E-11 0.12087844E 05 0.83803342E 01 4 FO2 J 9/66F 1O 200 000 0G 300.000 5000.000 1 0.57040935E 01 0.13862889E-02-0.58355374E-06 0.10937214E-09-0.75869181E-14 2 -0.39678678E 03-0.20810805E 01 0.37805073E 01 0.68174595E-02-0.58133605E-05 3 0.17562504E-08 0.67757430E-13 0.12769468E 03 0.78225198E 01 4 F2 J 6/77F 2 0 0 0G 300.000 5000.000 1 0.40216117E+01 0.61791224E-03-0.24006107E-06 0.46993405E-10-0.33859174E-14 2 -0.13038343E+04 0.11028422E+01 0.27298275E+01 0.48528417E-02-0.54460001E-05 3 0.28502082E-08-0.54380686E-12-0.98692133E+03 0.75949118E+01 4 F2O J12/69F 2O 10 00 0G 300.000 5000.000 1 0.60051871E 01 0.11028402E-02-0.47547937E-06 0.90683145E-10-0.63757098E-14 2 0.91906065E 03-0.52352686E 01 0.26109219E 01 0.12231280E-01-0.13441415E-04 3 0.58909412E-08-0.57487175E-12 0.17347196E 04 0.11774719E 02 4 H J 9/65H 100 000 000 0G 300.000 5000.000 R1 0.25000000E 01 0. 0. 0. 0. 2 0.25471627E 05-0.46011763E 00 0.25000000E 01 0. 0. 3 0. 0. 0.25471627E 05-0.46011762E 00 4 HBR J 9/65H 1BR 1 0 0G 300.000 5000.000 1 0.27935804E+01 0.15655925E-02-0.56171064E-06 0.95783142E-10-0.61813990E-14 2 -0.52338384E+04 0.76423703E+01 0.36056690E+01-0.59529431E-03 0.65029568E-06 3 0.93781219E-09-0.71141852E-12-0.54389455E+04 0.34831774E+01 4 HCL J 9/64H 1CL 100 000 0G 300.000 5000.000 1 0.27665884E 01 0.14381883E-02-0.46993000E-06 0.73499408E-10-0.43731106E-14 2 -0.11917468E 05 0.64583540E 01 0.35248171E 01 0.29984862E-04-0.86221891E-06 3 0.20979721E-08-0.98658191E-12-0.12150509E 05 0.23957713E 01 4 HCN L12/69H 1C 1N 10 0G 300.000 5000.000 1 0.37068121E 01 0.33382803E-02-0.11913320E-05 0.19992917E-09-0.12826452E-13 2 0.14962636E 05 0.20794904E 01 0.24513556E 01 0.87208371E-02-0.10094203E-04 3 0.67255698E-08-0.17626959E-11 0.15213002E 05 0.80830085E 01 4 HD J 6/77H 1D 1 0 0G 300.000 5000.000 1 0.28464544E+01 0.10631961E-02-0.24433805E-06 0.29050834E-10-0.11621531E-14 2 -0.76182465E+03 0.96695917E+00 0.34325477E+01 0.65107028E-03-0.19332666E-05 3 0.24101736E-08-0.86732397E-12-0.10009272E+04-0.24022073E+01 4 HDO J 6/77H 1D 1O 1 0G 300.000 5000.000 1 0.26672688E+01 0.35575209E-02-0.12026003E-05 0.19607209E-09-0.12352620E-13 2 -0.30372869E+05 0.79704328E+01 0.40754422E+01-0.13820285E-02 0.57025534E-05 3 -0.44163646E-08 0.12263062E-11-0.30707608E+05 0.95790167E+00 4 HF J 6/77H 1F 10 00 0G 300.000 5000.000 1 0.29919110E+01 0.71489475E-03-0.68630973E-07-0.11617130E-10 0.19412375E-14 2 -0.33621364E+05 0.38123288E+01 0.34379986E+01 0.53571598E-03-0.15229655E-05 3 0.17564491E-08-0.57869940E-12-0.33818972E+05 0.11930153E+01 4 HI J 9/61H 1I 1 0 0G 300.000 5000.000 1 0.29104008E+01 0.15688188E-02-0.59227632E-06 0.10537094E-09-0.70375116E-14 2 0.22508659E+04 0.78513074E+01 0.36963722E+01-0.14224755E-02 0.30131188E-05 3 -0.12666403E-08-0.35098765E-13 0.21073581E+04 0.40749580E+01 4 HNCO J12/70H 1N 1C 1O 1G 300.000 5000.000 1 0.51300390E+01 0.43551371E-02-0.16269022E-05 0.28035605E-09-0.18276037E-13 2 -0.14101787E+05-0.22010995E+01 0.23722164E+01 0.13664040E-01-0.13323158E-04 3 0.64475457E-08-0.10402894E-11-0.13437059E+05 0.11588263E+02 4 HNO J 3/63H 1N 1O 10 0G 300.000 5000.000 1 0.35548619E 01 0.32713182E-02-0.12734071E-05 0.22602046E-09-0.15064827E-13 2 0.10693734E 05 0.51684901E 01 0.37412008E 01-0.20067061E-03 0.75409300E-05 3 -0.79105713E-08 0.25928389E-11 0.10817845E 05 0.50063473E 01 4 HNO2 J 6/63H 1N 1O 2 0G 300.000 5000.000 1 0.55144941E+01 0.41394403E-02-0.15878702E-05 0.27977639E-09-0.18584209E-13 2 -0.11276885E+05-0.31425253E+01 0.25098874E+01 0.12171605E-01-0.78618375E-05 3 0.35351571E-09 0.11540858E-11-0.10450008E+05 0.12399634E+02 4 HNO3 J 6/63H 1N 1O 3 0G 300.000 5000.000 1 0.70591100E+01 0.56769446E-02-0.22348863E-05 0.40155529E-09-0.27080510E-13 2 -0.18920009E+05-0.10778285E+02 0.14377135E+01 0.20903552E-01-0.14574553E-04 3 0.11972023E-08 0.19117285E-11-0.17385368E+05 0.18246253E+02 4 HOF J12/72H 1O 1F 1 0G 300.000 5000.000 1 0.40464336E+01 0.24486283E-02-0.86283553E-06 0.14209904E-09-0.89356915E-14 2 -0.13209067E+05 0.33367680E+01 0.32310929E+01 0.37389857E-02 0.63009762E-06 3 -0.36215002E-08 0.17867133E-11-0.12954779E+05 0.77377387E+01 4 HO2(DANGER) J 9/78H 1O 200 000 0G 300.000 5000.000 1 0.40173060E+01 0.22175883E-02-0.57710171E-06 0.71372882E-10-0.36458591E-14 2 -0.11412445E+04 0.37846051E+01 0.35964102E+01 0.52500748E-03 0.75118344E-05 3 -0.95674952E-08 0.36597628E-11-0.89333502E+03 0.66372671E+01 4 HO2 J 3/64H 1O 200 000 0G 300.000 5000.000 1 0.37866280E 01 0.27885404E-02-0.10168708E-05 0.17183946E-09-0.11021852E-13 2 0.11888500E 04 0.48147611E 01 0.35094850E 01 0.11499670E-02 0.58784259E-05 3 -0.77795519E-08 0.29607883E-11 0.13803331E 04 0.68276325E 01 4 H2 J 3/77H 2 0 0 0G 300.000 5000.000 1 0.30667095E+01 0.57473755E-03 0.13938319E-07-0.25483518E-10 0.29098574E-14 2 -0.86547412E+03-0.17798424E+01 0.33553514E+01 0.50136144E-03-0.23006908E-06 3 -0.47905324E-09 0.48522585E-12-0.10191626E+04-0.35477228E+01 4 H2O(L) J 3/79H 2O 100 000 0L 273.150 500.0 1 0. 0. 0. 0. 0. 2 0. 0. 0.28630800E+02-0.20260986E+00 0.78529479E-03 3 -0.13653020E-05 0.91326966E-09-0.38579539E+05-0.11895046E+03 4 H2O J 3/79H 2O 1 0 0G 300.000 5000.000 1 0.26110472E+01 0.31563130E-02-0.92985438E-06 0.13331538E-09-0.74689351E-14 2 -0.29868167E+05 0.72091268E+01 0.41677234E+01-0.18114970E-02 0.59471288E-05 3 -0.48692021E-08 0.15291991E-11-0.30289969E+05-0.73135474E+00 4 H2O2 L 2/69H 2O 20 00 0G 300.000 5000.000 1 0.45731667E 01 0.43361363E-02-0.14746888E-05 0.23489037E-09-0.14316536E-13 2 -0.18006961E 05 0.50113696E 00 0.33887536E 01 0.65692260E-02-0.14850126E-06 3 -0.46258055E-08 0.24715147E-11-0.17663147E 05 0.67853631E 01 4 H2S J 6/77H 2S 1 G 300.000 5000.000 1 0.27452199E+01 0.40434607E-02-0.15384510E-05 0.27520249E-09-0.18592095E-13 2 -0.34199444E+04 0.80412439E+01 0.39323476E+01-0.50260905E-03 0.45928473E-05 3 -0.31807214E-08 0.66497561E-12-0.36505359E+04 0.23023599E+01 4 H2SO4 J 9/77H 2S 1O 4 0L 300.000 1000.000 1 0. 0. 0. 0. 0. 2 0. 0. 0.99421525E+01 0.21786369E-01 0.34974458E-05 3 -0.33548857E-08 0.11699586E-11-0.10185979E+06-0.44398695E+02 4 H2SO4 J 9/77H 2S 1O 4 0G 300.000 5000.000 1 0.10889532E+02 0.75004178E-02-0.29210478E-05 0.52595513E-09-0.35789415E-13 2 -0.92471364E+05-0.29418038E+02 0.10725680E+01 0.43769226E-01-0.55333243E-04 3 0.35518253E-07-0.90677358E-11-0.90259758E+05 0.18926326E+02 4 H3B3O6 J12/64H 3B 3O 600 0G 300.000 5000.000 1 0.20153579E 02 0.13016286E-01-0.50669619E-05 0.90308253E-09-0.60532410E-13 2 -0.28104092E 06-0.79689531E 02-0.22705116E 01 0.87024894E-01-0.91587714E-04 3 0.39445392E-07-0.36666035E-11-0.27569523E 06 0.32516454E 02 4 H3O+ R 79 H 3O 1E -1 0G 300.000 5000.000 R1 0.28246822E+01 0.50812885E-02-0.14264715E-05 0.16926313E-09-0.63539296E-14 2 0.70856812E+05 0.56510124E+01 0.33014021E+01 0.26223860E-02 0.27255019E-05 3 -0.27153022E-08 0.70842800E-12 0.70803750E+05 0.35236931E+01 4 HE L 5/66HE 100 000 000 0G 300.000 5000.000 1 0.25000000E 01 0. 0. 0. 0. 2 -0.74537498E 03 0.91534888E 00 0.25000000E 01 0. 0. 3 0. 0. -0.74537498E 03 0.91534884E 00 4 HE+ L12/66HE 1E -100 000 0G 300.000 5000.000 1 0.25000000E 01 0. 0. 0. 0. 2 0.28534266E 06 0.16084045E 01 0.25000000E 01 0. 0. 3 0. 0. 0.28534266E 06 0.16084046E 01 4 I2 J 9/61I 2 0 0 0G 300.000 5000.000 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 4 KR L 1/84KR 1 0 0 0G 300.000 5000.000 1 0.24999990E 01 0.00000000 0.00000000 0.00000000 0.00000000 2 -0.74537476E 03 0.54777565E 01 0.25000000E 01 0.00000000 0.00000000 3 0.00000000 0.00000000-0.74537476E 03 0.54777565E 01 4 N J 3/77N 100 000 000 0G 300.000 5000.000 R1 0.24370811E+01 0.13233886E-03-0.90907754E-07 0.22864054E-10-0.13762291E-14 2 0.56128585E+05 0.45211111E+01 0.25000004E+01-0.31078154E-08 0.83216097E-11 3 -0.94278278E-14 0.38108039E-17 0.56106975E+05 0.41806431E+01 4 NCO J12/70N 1C 1O 10 0G 300.000 5000.000 1 0.49964357E+01 0.26250880E-02-0.10928387E-05 0.20309111E-09-0.13915195E-13 2 0.17379356E+05-0.17325320E+01 0.31092021E+01 0.66201022E-02-0.26070086E-05 3 -0.14966380E-08 0.10922032E-11 0.17977514E+05 0.83561334E+01 4 ND J 6/77N 1D 1 0 0G 300.000 5000.000 R1 0.29787664E+01 0.13644909E-02-0.44426554E-06 0.66850067E-10-0.36520334E-14 2 0.44202715E+05 0.51782103E+01 0.35822582E+01-0.54360228E-03 0.70695836E-06 3 0.10904153E-08-0.87384879E-12 0.44087676E+05 0.22182770E+01 4 ND2 J 6/77N 1D 2 0 0G 300.000 5000.000 R1 0.13124552E+01 0.73207803E-02-0.37609880E-05 0.84924379E-09-0.67714551E-13 2 0.21822223E+05 0.15539929E+02 0.37544718E+01 0.55300584E-03 0.28321620E-05 3 -0.12810171E-08-0.20484656E-12 0.21126371E+05 0.28866510E+01 4 ND3 J 6/77N 1D 3 0 0G 300.000 5000.000 1 0.38974762E+01 0.53573176E-02-0.17675020E-05 0.25481817E-09-0.13516735E-13 2 -0.86511758E+04 0.31102449E+00 0.29169312E+01 0.52944236E-02 0.22344675E-05 3 -0.41223203E-08 0.14051026E-11-0.81626094E+04 0.62506895E+01 4 NF J 6/65N 1F 100 000 0G 300.000 5000.000 R1 0.38624046E 01 0.74409961E-03-0.29304178E-06 0.55130022E-10-0.38317928E-14 2 0.28669390E 05 0.34570237E 01 0.30480680E 01 0.19566867E-02 0.94322448E-06 3 -0.29336643E-08 0.13504454E-11 0.28941688E 05 0.79092363E 01 4 NF2 J 3/64N 1F 200 000 0G 300.000 5000.000 R1 0.57186890E 01 0.14102822E-02-0.60493969E-06 0.11491911E-09-0.80536431E-14 2 0.30992968E 04-0.34469259E 01 0.25009872E 01 0.10721062E-01-0.92064150E-05 3 0.19027666E-08 0.71249647E-12 0.39376954E 04 0.12994042E 02 4 NF3 J 6/77N 1F 30 00 0G 300.000 5000.000 1 0.79096339E+01 0.23767282E-02-0.10532501E-05 0.20633462E-09-0.14872859E-13 2 -0.18717610E+05-0.15271745E+02 0.33911490E+00 0.31034179E-01-0.43976747E-04 3 0.30196867E-07-0.81688393E-11-0.17034824E+05 0.21869493E+02 4 NH J 6/77N 1H 1 0 0G 300.000 5000.000 R1 0.27414945E+01 0.14032028E-02-0.46001046E-06 0.80217694E-10-0.52770870E-14 2 0.44499551E+05 0.59638059E+01 0.34520634E+01 0.54983583E-03-0.20358506E-05 3 0.30336916E-08-0.12401129E-11 0.44249545E+05 0.20208741E+01 4 NH2 J 6/77N 1H 200 000 0G 300.000 5000.000 R1 0.27554321E+01 0.32905847E-02-0.11160410E-05 0.20903758E-09-0.15676329E-13 2 0.22001133E+05 0.69276497E+01 0.41262894E+01-0.16485841E-02 0.56461668E-05 3 -0.40505222E-08 0.10499871E-11 0.21697548E+05 0.16960494E+00 4 NH3 J 6/77N 1H 300 000 0G 300.000 5000.000 1 0.23168577E+01 0.62841460E-02-0.21251163E-05 0.34018690E-09-0.21470026E-13 2 -0.64265487E+04 0.82987657E+01 0.37729747E+01-0.82975716E-03 0.11801882E-04 3 -0.12126874E-07 0.41763790E-11-0.66908514E+04 0.14968947E+01 4 NO J 6/63N 1O 100 000 0G 300.000 5000.000 1 0.31890000E 01 0.13382281E-02-0.52899318E-06 0.95919332E-10-0.64847932E-14 2 0.98283290E 04 0.67458126E 01 0.40459521E 01-0.34181783E-02 0.79819190E-05 3 -0.61139316E-08 0.15919076E-11 0.97453934E 04 0.29974988E 01 4 NO+ J 6/66N 1O 1E -100 0G 300.000 5000.000 1 0.28885488E 01 0.15217119E-02-0.57531241E-06 0.10051081E-09-0.66044294E-14 2 0.11819245E 06 0.70027197E 01 0.36685056E 01-0.11544580E-02 0.21755608E-05 3 -0.48227472E-09-0.27847906E-12 0.11803369E 06 0.31779324E 01 4 NOCL J12/72N 1O 1CL 1 0G 300.000 5000.000 1 0.54178186E+01 0.17391415E-02-0.67354352E-06 0.12747721E-09-0.88128378E-14 2 0.44207903E+04-0.15287316E+00 0.40453848E+01 0.58322333E-02-0.54789276E-05 3 0.27968775E-08-0.59348675E-12 0.47980577E+04 0.68935321E+01 4 NOF J 6/61N 1O 1F 100 0G 300.000 5000.000 1 0.51906666E 01 0.18924266E-02-0.78642361E-06 0.14626364E-09-0.10097419E-13 2 -0.96758164E 04-0.62298477E 00 0.32902070E 01 0.74045493E-02-0.66195803E-05 3 0.26529282E-08-0.29526815E-12-0.91566645E 04 0.91451185E 01 4 NOF3 J 6/70N 1O 1F 30 0G 300.000 5000.000 1 0.98929009E 01 0.33819898E-02-0.14438138E-05 0.27381685E-09-0.19186406E-13 2 -0.23185488E 05-0.24944299E 02 0.14275875E 01 0.32431849E-01-0.38573384E-04 3 0.20510613E-07-0.37109560E-11-0.21189425E 05 0.17224286E 02 4 NO2 J 9/64N 1O 200 000 0G 300.000 5000.000 1 0.46240771E 01 0.25260332E-02-0.10609498E-05 0.19879239E-09-0.13799384E-13 2 0.22899900E 04 0.13324138E 01 0.34589236E 01 0.20647064E-02 0.66866067E-05 3 -0.95556725E-08 0.36195881E-11 0.28152265E 04 0.83116983E 01 4 NO2- J 6/72N 1O 2E 1 0G 300.000 5000.000 1 0.50160903E+01 0.21884463E-02-0.94586144E-06 0.17939789E-09-0.12052428E-13 2 -0.26200160E+05-0.12861447E+01 0.29818036E+01 0.49398681E-02 0.28557293E-05 3 -0.78905297E-08 0.35391483E-11-0.25501540E+05 0.99161680E+01 4 NO2CL J12/65N 1O 2CL 100 0G 300.000 5000.000 1 0.72062138E 01 0.29949809E-02-0.12641260E-05 0.23758750E-09-0.16524848E-13 2 -0.11366123E 04-0.99256667E 01 0.30302225E 01 0.14538930E-01-0.11645930E-04 3 0.25890139E-08 0.64589481E-12 0.76652034E 01 0.11618599E 02 4 NO2F J12/65N 1O 2F 100 0G 300.000 5000.000 1 0.68639166E 01 0.33554437E-02-0.14158297E-05 0.26622227E-09-0.18531606E-13 2 -0.15621287E 05-0.95806218E 01 0.22424380E 01 0.16289716E-01-0.13344332E-04 3 0.32719525E-08 0.59144703E-12-0.14364205E 05 0.14218996E 02 4 NO3 J12/64N 1O 3 0 0G 300.000 5000.000 R1 0.72033289E+01 0.30908791E-02-0.13329045E-05 0.25461601E-09-0.17939047E-13 2 0.58244016E+04-0.12608119E+02 0.76867377E+00 0.21181075E-01-0.16980256E-04 3 0.22963836E-08 0.19321041E-11 0.75292921E+04 0.20406284E+02 4 N2 J 3/77N 20 00 00 0G 300.000 5000.000 1 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0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2HEOOH-3 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2HEOOH-4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2HEOOH-5 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3HEOOH-1 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3HEOOH-2 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3HEOOH-4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3HEOOH-5 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3HEOOH-6 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4HEOOH-1 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4HEOOH-2 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4HEOOH-3 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4HEOOH-5 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4HEOOH-6 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4HEOOH-7 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 O2C7OOH J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 1-2HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 1-3HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 1-4HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2-3HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2-4HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2-5HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3-4HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3-5HEO J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 1OO7OOH4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2OO7OOH4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3OO7OOH4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4OO7OOH4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 5OO7OOH4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 6OO7OOH4 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 2OO7OOH1 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3OO7OOH1 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 4OO7OOH1 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 1OO7OOH2 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 3OO7OOH2 J 3/77N 20 00 00 0G 300.000 5000.000 1 0.28532899E+01 0.16022128E-02-0.62936893E-06 0.11441022E-09-0.78057465E-14 2 -0.89008093E+03 0.63964897E+01 0.37044177E+01-0.14218753E-02 0.28670392E-05 3 -0.12028885E-08-0.13954677E-13-0.10640795E+04 0.22336285E+01 4 O(Pt) 92491O 1PT 1 I 300.00 3000.00 1000.00 1 0.19454180E+01 0.91761647E-03-0.11226719E-06-0.99099624E-10 0.24307699E-13 2 -0.14005187E+05-0.11531663E+02-0.94986904E+00 0.74042305E-02-0.10451424E-05 3 -0.61120420E-08 0.33787992E-11-0.13209912E+05 0.36137905E+01 4 O2(Pt) 92491O 2PT 1 I 300.00 3000.00 1000.00 1 0.35989249E+01 0.20437732E-02-0.23878221E-06-0.22041054E-09 0.53299430E-13 2 -0.41095444E+04-0.21604582E+02-0.20174649E+01 0.14146218E-01-0.16376665E-05 3 -0.11264421E-07 0.60101386E-11-0.25084473E+04 0.79811935E+01 4 H(Pt) 92491H 1PT 1 I 300.00 3000.00 1000.00 1 0.10696996E+01 0.15432230E-02-0.15500922E-06-0.16573165E-09 0.38359347E-13 2 -0.50546128E+04-0.71555238E+01-0.13029877E+01 0.54173199E-02 0.31277972E-06 3 -0.32328533E-08 0.11362820E-11-0.42277075E+04 0.58743238E+01 4 H2(Pt) 92491H 2PT 1 I 300.00 3000.00 1000.00 1 0.15330955E+01 0.34586885E-02-0.32622225E-06-0.36824219E-09 0.83855205E-13 2 -0.36401533E+04-0.10822206E+02-0.21517782E+01 0.87039210E-02 0.11154106E-05 3 -0.42477102E-08 0.96133203E-12-0.22640681E+04 0.97397461E+01 4 H2O(Pt) 92491O 1H 2PT 1 I 300.00 3000.00 1000.00 1 0.25803051E+01 0.49570827E-02-0.46894056E-06-0.52633137E-09 0.11998322E-12 2 -0.38302234E+05-0.17406322E+02-0.27651553E+01 0.13315115E-01 0.10127695E-05 3 -0.71820083E-08 0.22813776E-11-0.36398055E+05 0.12098145E+02 4 OH(Pt) 92491O 1H 1PT 1 I 300.00 3000.00 1000.00 1 0.18249973E+01 0.32501565E-02-0.31197541E-06-0.34603206E-09 0.79171472E-13 2 -0.26685492E+05-0.12280891E+02-0.20340881E+01 0.93662683E-02 0.66275214E-06 3 -0.52074887E-08 0.17088735E-11-0.25319949E+05 0.89863186E+01 4 COOH(Pt) 92491C 1O 2H 1PT 1I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 HCOO(Pt) 92491C 1O 2H 1PT 1I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 HCO(Pt) 92491C 1O 1H 1PT 1I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 RH(s1) RH 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 Pt(s1) PT 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 Pt(s2) PT 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 RH(Pt) RH 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 (Pt) PT 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CO(s1) 081292C 1O 1PT 1 I 300.00 3000.00 1000.00 1 0.36180000E+00 0.48100000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.31477000E+05-0.35060000E+01 0.36180000E+00 0.48100000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.31477000E+05-0.35060000E+01 4 CO(s2) 081292C 1O 1PT 1 I 300.00 3000.00 1000.00 1 0.36180000E+00 0.48100000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.31477000E+05-0.35060000E+01 0.36180000E+00 0.48100000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.31477000E+05-0.35060000E+01 4 CO(s_old) 081292C 1O 1PT 1 I 300.00 3000.00 1000.00 1 0.36180000E+00 0.48100000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.31477000E+05-0.35060000E+01 0.36180000E+00 0.48100000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.31477000E+05-0.35060000E+01 4 CO2(Pt) 081292C 1O 2PT 1 I 300.00 3000.00 1000.00 1 0.46900000E+00 0.62660000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.50458700E+05-0.45550000E+01 0.46900000E+00 0.62662000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.50458700E+05-0.45550000E+01 4 C(s_old) 121286C 1PT 1 I 0300.00 5000.00 1000.00 1 0.14901664E+01 0.16621256E-02-0.06687204E-05 0.12908796E-09-0.09205334E-13 2 -0.07074018E+04-0.08717785E+02-0.06705661E+01 0.07181499E-01-0.05632921E-04 3 0.02142298E-07-0.04168562E-11-0.07339498E+03 0.02601595E+02 4 O(s1) 92491O 1RH 1 I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 O2(PD) 92491O 2PD 1 I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 H(PD) 92491H 1PD 1 I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 H2(PD) 92491H 2PD 1 I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 H2O(PD) 92491O 1H 2PD 1 I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 OH(PD) 92491O 1H 1PD 1 I 300.00 3000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 PD PD 1 S 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CO(PD) 081292C 1O 1PD 1 I 300.00 3000.00 1000.00 1 0.36180000E+00 0.48100000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.31477000E+05-0.35060000E+01 0.36180000E+00 0.48100000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.31477000E+05-0.35060000E+01 4 CO2(PD) 081292C 1O 2PD 1 I 300.00 3000.00 1000.00 1 0.46900000E+00 0.62660000E-02 0.00000000E-00 0.00000000E-00 0.00000000E-00 2 -0.50458700E+05-0.45550000E+01 0.46900000E+00 0.62662000E-02 0.00000000E-00 3 0.00000000E-00 0.00000000E-00-0.50458700E+05-0.45550000E+01 4 C(PD) 121286C 1PD 1 I 0300.00 5000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CH3(PD) C 1H 3PD 1 I 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CH2(PD) C 1H 2PD 1 I 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CH(PD) C 1H 1PD 1 I 300.0 3000.0 1000.0 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CH3O(PD) U10/77C 1H 3O 1PD 1G 300.000 5000.000 R1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CH2O(PD) SSNL121286C 1H 2O 1PD 1G 300.000 5000.000 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 CO(Pt) RO 4/97 C 1O 1PT 1 I 300.00 3000.00 1000.00 1 0.47083778E+01 0.96037297E-03-0.11805279E-06-0.76883826E-10 0.18232000E-13 2 -0.32311723E+05-0.16719593E+02 0.48907466E+01 0.68134235E-04 0.19768814E-06 3 0.12388669E-08-0.90339249E-12-0.32297836E+05-0.17453161E+02 4 C(Pt) 0C 1PT 1 I 300.00 3000.00 1000.00 1 0.15792824E+01 0.36528701E-03-0.50657672E-07-0.34884855E-10 0.88089699E-14 2 0.99535752E+04-0.30240495E+01 0.58924019E+00 0.25012842E-02-0.34229498E-06 3 -0.18994346E-08 0.10190406E-11 0.10236923E+05 0.21937017E+01 4 CH(Pt) 0C 1H 1PT 1 I 300.00 3000.00 1000.00 1 -0.48242472E-02 0.30446239E-02-0.16066099E-06-0.29041700E-09 0.57999924E-13 2 0.22595219E+05 0.56677818E+01 0.84157485E+00 0.13095380E-02 0.28464575E-06 3 0.63862904E-09-0.42766658E-12 0.22332801E+05 0.11452305E+01 4 CH2(Pt) 0C 1H 2PT 1 I 300.00 3000.00 1000.00 1 0.74076122E+00 0.48032533E-02-0.32825633E-06-0.47779786E-09 0.10073452E-12 2 0.10443752E+05 0.40842086E+00-0.14876404E+00 0.51396289E-02 0.11211075E-05 3 -0.82755452E-09-0.44572345E-12 0.10878700E+05 0.57451882E+01 4 CH3(Pt) 0C 1H 3PT 1 I 300.00 3000.00 1000.00 1 0.30016165E+01 0.54084505E-02-0.40538058E-06-0.53422466E-09 0.11451887E-12 2 -0.32752722E+04-0.10965984E+02 0.12919217E+01 0.72675603E-02 0.98179476E-06 3 -0.20471294E-08 0.90832717E-13-0.25745610E+04-0.11983037E+01 4 NO(Pt) N 1O 1PT 1 S 300.00 5000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 NO2(Pt) N 1O 2PT 1 S 300.00 5000.00 1000.00 1 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 4 END