initial commit for version 1.5.x patch release
[OpenFOAM-1.5.x.git] / applications / test / readCHEMKINIII / CHEMKINdata / thermo_soot.dat
blob7a9f2c32d1da4bcacfa3ca97604c8383ddabb7df
1 THERMO ALL
2 298.000 1000.000 5000.000
3 C70 T 6/93C 70 0 0 0G 200.000 6000.000 1000.00 1
4 0.10677602E+03 0.10200334E+00-0.39562455E-04 0.67122022E-08-0.41568097E-12 2
5 0.29769320E+06-0.59941734E+03-0.31366983E+02 0.33484410E+00 0.98587783E-04 3
6 -0.44663983E-06 0.22008836E-09 0.34260294E+06 0.14891614E+03 0.34822593E+06 4
7 C60 T 6/93C 60 0 0 0G 200.000 6000.000 1000.00 1
8 0.99843418E+02 0.78857558E-01-0.30608799E-04 0.51957690E-08-0.32188408E-12 2
9 0.26670488E+06-0.54587488E+03-0.33579084E+02 0.42844440E+00-0.31712321E-03 3
10 0.47546257E-07 0.27677699E-10 0.30465122E+06 0.14832875E+03 0.31098790E+06 4
11 C(S) P 4/83C 1 0 0 0S 200.000 5000.000 1000.00 1
12 0.14556924E+01 0.17170638E-02-0.69758410E-06 0.13528316E-09-0.96764905E-14 2
13 -0.69512804E+03-0.85256842E+01-0.31087207E+00 0.44035369E-02 0.19039412E-05 3
14 -0.63854697E-08 0.29896425E-11-0.10865079E+03 0.11138295E+01 4
15 O L 1/90O 1 00 00 00G 200.000 3500.000 1000.000 1
16 2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15 2
17 2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3
18 -6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 6.72540300E+03 4
19 O2 TPIS89O 2 00 00 00G 200.000 3500.000 1000.000 1
20 3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14 2
21 -1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3
22 -9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 8.68010400E+03 4
23 H L 7/88H 1 00 00 00G 200.000 3500.000 1000.00 1
24 2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22 2
25 2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15 3
26 2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01 6.19742800E+03 4
27 H2 TPIS78H 2 00 00 00G 200.000 3500.000 1000.00 1
28 3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14 2
29 -9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3
30 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 8.46810200E+03 4
31 OH RUS 78O 1H 1 00 00G 200.000 3500.000 1000.000 1
32 3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14 2
33 3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06 3
34 -3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01 8.81310600E+03 4
35 H2O L 8/89H 2O 1 00 00G 200.000 3500.000 1000.000 1
36 3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14 2
37 -3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06 3
38 -5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01 9.90409200E+03 4
39 HO2 L 5/89H 1O 2 00 00G 200.000 3500.000 1000.000 1
40 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 2
41 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3
42 -2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 1.00021620E+04 4
43 H2O2 L 7/88H 2O 2 00 00G 200.000 3500.000 1000.000 1
44 4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14 2
45 -1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05 3
46 -2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00 1.11588350E+04 4
47 C L11/88C 1 00 00 00G 200.000 3500.000 1000.000 1
48 2.49266888E+00 4.79889284E-05-7.24335020E-08 3.74291029E-11-4.87277893E-15 2
49 8.54512953E+04 4.80150373E+00 2.55423955E+00-3.21537724E-04 7.33792245E-07 3
50 -7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00 6.53589500E+03 4
51 CH TPIS79C 1H 1 00 00G 200.000 3500.000 1000.000 1
52 2.87846473E+00 9.70913681E-04 1.44445655E-07-1.30687849E-10 1.76079383E-14 2
53 7.10124364E+04 5.48497999E+00 3.48981665E+00 3.23835541E-04-1.68899065E-06 3
54 3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00 8.62500000E+03 4
55 CH2 L S/93C 1H 2 00 00G 200.000 3500.000 1000.000 1
56 2.87410113E+00 3.65639292E-03-1.40894597E-06 2.60179549E-10-1.87727567E-14 2
57 4.62636040E+04 6.17119324E+00 3.76267867E+00 9.68872143E-04 2.79489841E-06 3
58 -3.85091153E-09 1.68741719E-12 4.60040401E+04 1.56253185E+00 1.00274170E+04 4
59 CH2* L S/93C 1H 2 00 00G 200.000 3500.000 1000.000 1
60 2.29203842E+00 4.65588637E-03-2.01191947E-06 4.17906000E-10-3.39716365E-14 2
61 5.09259997E+04 8.62650169E+00 4.19860411E+00-2.36661419E-03 8.23296220E-06 3
62 -6.68815981E-09 1.94314737E-12 5.04968163E+04-7.69118967E-01 9.93967200E+03 4
63 CH3 L11/89C 1H 3 00 00G 200.000 3500.000 1000.000 1
64 2.28571772E+00 7.23990037E-03-2.98714348E-06 5.95684644E-10-4.67154394E-14 2
65 1.67755843E+04 8.48007179E+00 3.67359040E+00 2.01095175E-03 5.73021856E-06 3
66 -6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00 1.03663400E+04 4
67 CH4 L 8/88C 1H 4 00 00G 200.000 3500.000 1000.000 1
68 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
69 -9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
70 -4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 1.00161980E+04 4
71 CO TPIS79C 1O 1 00 00G 200.000 3500.000 1000.000 1
72 2.71518561E+00 2.06252743E-03-9.98825771E-07 2.30053008E-10-2.03647716E-14 2
73 -1.41518724E+04 7.81868772E+00 3.57953347E+00-6.10353680E-04 1.01681433E-06 3
74 9.07005884E-10-9.04424499E-13-1.43440860E+04 3.50840928E+00 8.67100000E+03 4
75 CO2 L 7/88C 1O 2 00 00G 200.000 3500.000 1000.000 1
76 3.85746029E+00 4.41437026E-03-2.21481404E-06 5.23490188E-10-4.72084164E-14 2
77 -4.87591660E+04 2.27163806E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06 3
78 2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00 9.36546900E+03 4
79 HCO L12/89H 1C 1O 1 00G 200.000 3500.000 1000.000 1
80 2.77217438E+00 4.95695526E-03-2.48445613E-06 5.89161778E-10-5.33508711E-14 2
81 4.01191815E+03 9.79834492E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05 3
82 -1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00 9.98945000E+03 4
83 CH2O L 8/88H 2C 1O 1 00G 200.000 3500.000 1000.000 1
84 1.76069008E+00 9.20000082E-03-4.42258813E-06 1.00641212E-09-8.83855640E-14 2
85 -1.39958323E+04 1.36563230E+01 4.79372315E+00-9.90833369E-03 3.73220008E-05 3
86 -3.79285261E-08 1.31772652E-11-1.43089567E+04 6.02812900E-01 1.00197170E+04 4
87 CH2OH GUNL93C 1H 3O 1 00G 200.000 3500.000 1000.0 1
88 3.69266569E+00 8.64576797E-03-3.75101120E-06 7.87234636E-10-6.48554201E-14 2
89 -3.24250627E+03 5.81043215E+00 3.86388918E+00 5.59672304E-03 5.93271791E-06 3
90 -1.04532012E-08 4.36967278E-12-3.19391367E+03 5.47302243E+00 1.18339080E+04 4
91 CH3O 121686C 1H 3O 1 G 0300.00 3000.00 1000.00 1
92 0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2
93 0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3
94 -0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02 4
95 CH3OH L 8/88C 1H 4O 1 00G 200.000 3500.000 1000.000 1
96 1.78970791E+00 1.40938292E-02-6.36500835E-06 1.38171085E-09-1.17060220E-13 2
97 -2.53748747E+04 1.45023623E+01 5.71539582E+00-1.52309129E-02 6.52441155E-05 3
98 -7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00 1.14352770E+04 4
99 C2H L 1/91C 2H 1 00 00G 200.000 3500.000 1000.000 1
100 3.16780652E+00 4.75221902E-03-1.83787077E-06 3.04190252E-10-1.77232770E-14 2
101 6.71210650E+04 6.63589475E+00 2.88965733E+00 1.34099611E-02-2.84769501E-05 3
102 2.94791045E-08-1.09331511E-11 6.68393932E+04 6.22296438E+00 1.04544720E+04 4
103 C2H2 L 1/91C 2H 2 00 00G 200.000 3500.000 1000.000 1
104 4.14756964E+00 5.96166664E-03-2.37294852E-06 4.67412171E-10-3.61235213E-14 2
105 2.59359992E+04-1.23028121E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
106 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 1.00058390E+04 4
107 C2H3 L 2/92C 2H 3 00 00G 200.000 3500.000 1000.000 1
108 3.01672400E+00 1.03302292E-02-4.68082349E-06 1.01763288E-09-8.62607041E-14 2
109 3.46128739E+04 7.78732378E+00 3.21246645E+00 1.51479162E-03 2.59209412E-05 3
110 -3.57657847E-08 1.47150873E-11 3.48598468E+04 8.51054025E+00 1.05750490E+04 4
111 C2H4 L 1/91C 2H 4 00 00G 200.000 3500.000 1000.000 1
112 2.03611116E+00 1.46454151E-02-6.71077915E-06 1.47222923E-09-1.25706061E-13 2
113 4.93988614E+03 1.03053693E+01 3.95920148E+00-7.57052247E-03 5.70990292E-05 3
114 -6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00 1.05186890E+04 4
115 C2H5 L12/92C 2H 5 00 00G 200.000 3500.000 1000.000 1
116 1.95465642E+00 1.73972722E-02-7.98206668E-06 1.75217689E-09-1.49641576E-13 2
117 1.28575200E+04 1.34624343E+01 4.30646568E+00-4.18658892E-03 4.97142807E-05 3
118 -5.99126606E-08 2.30509004E-11 1.28416265E+04 4.70720924E+00 1.21852440E+04 4
119 C2H6 L 8/88C 2H 6 00 00G 200.000 3500.000 1000.000 1
120 1.07188150E+00 2.16852677E-02-1.00256067E-05 2.21412001E-09-1.90002890E-13 2
121 -1.14263932E+04 1.51156107E+01 4.29142492E+00-5.50154270E-03 5.99438288E-05 3
122 -7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00 1.18915940E+04 4
123 CH2CO L 5/90C 2H 2O 1 00G 200.000 3500.000 1000.000 1
124 4.51129732E+00 9.00359745E-03-4.16939635E-06 9.23345882E-10-7.94838201E-14 2
125 -7.55105311E+03 6.32247205E-01 2.13583630E+00 1.81188721E-02-1.73947474E-05 3
126 9.34397568E-09-2.01457615E-12-7.04291804E+03 1.22156480E+01 1.17977430E+04 4
127 HCCO SRIC91H 1C 2O 1 G 0300.00 4000.00 1000.00 1
128 0.56282058E+01 0.40853401E-02-0.15934547E-05 0.28626052E-09-0.19407832E-13 2
129 0.19327215E+05-0.39302595E+01 0.22517214E+01 0.17655021E-01-0.23729101E-04 3
130 0.17275759E-07-0.50664811E-11 0.20059449E+05 0.12490417E+02 4
131 HCCOH SRI91C 2O 1H 20 0G 300.000 5000.000 1000.G 1
132 0.59238291E+01 0.67923600E-02-0.25658564E-05 0.44987841E-09-0.29940101E-13 2
133 0.72646260E+04-0.76017742E+01 0.12423733E+01 0.31072201E-01-0.50866864E-04 3
134 0.43137131E-07-0.14014594E-10 0.80316143E+04 0.13874319E+02 4
135 N2 121286N 2 G 0300.00 5000.00 1000.00 1
136 0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13 2
137 -0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04 3
138 0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02 4
139 AR 120186AR 1 G 0300.00 5000.00 1000.00 1
140 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
141 -0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
142 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 4
143 C4H P 1/93C 4H 1 0 0G 300.000 3000.000 1
144 0.77697593E+01 0.49829976E-02-0.17628546E-05 0.28144284E-09-0.16689869E-13 2
145 0.94345900E+05-0.14165274E+02 0.13186295E+01 0.38582956E-01-0.71385623E-04 3
146 0.65356359E-07-0.22617666E-10 0.95456106E+05 0.15567583E+02 4
147 C4H2 P 1/93C 4H 2 0 0G 300.000 3000.000 1
148 0.86637708E+01 0.67247189E-02-0.23593397E-05 0.37506380E-09-0.22230940E-13 2
149 0.53252275E+05-0.21093503E+02-0.39201030E+00 0.51937565E-01-0.91737340E-04 3
150 0.80471986E-07-0.26898218E-10 0.54845266E+05 0.20957794E+02 4
151 C6H2 P 1/93C 6H 2 0 0G 300.000 3000.000 1
152 0.13226281E+02 0.73904302E-02-0.22715381E-05 0.25875217E-09-0.55356741E-14 2
153 0.80565258E+05-0.41201176E+02-0.15932624E+01 0.80530145E-01-0.14800649E-03 3
154 0.13300031E-06-0.45332313E-10 0.83273227E+05 0.27980873E+02 4
155 C6H P 1/93C 6H 1 0 0G 300.000 3000.000 1
156 0.12370055E+02 0.52177699E-02-0.16885009E-05 0.25807149E-09-0.15472851E-13 2
157 0.12158739E+06-0.34952797E+02-0.25630299E+00 0.63793827E-01-0.11440118E-03 3
158 0.10136744E-06-0.34361855E-10 0.12408855E+06 0.24930750E+02 4
159 C2O 121286C 2O 1 G 0300.00 5000.00 1000.00 1
160 0.04849809E+02 0.02947585E-01-0.01090729E-04 0.01792562E-08-0.01115758E-12 2
161 0.03282055E+06-0.06453226E+01 0.03368851E+02 0.08241803E-01-0.08765145E-04 3
162 0.05569262E-07-0.01540009E-10 0.03317081E+06 0.06713314E+02 4
163 C3H2 121686C 3H 2 G 0300.00 5000.00 1000.00 1
164 0.06530853E+02 0.05870316E-01-0.01720777E-04 0.02127498E-08-0.08291910E-13 2
165 0.05115214E+06-0.01122728E+03 0.02691077E+02 0.01480366E+00-0.03250551E-04 3
166 -0.08644363E-07 0.05284878E-10 0.05219072E+06 0.08757391E+02 4
167 C3H3 82489C 3H 3 G 0300.00 4000.00 1000.00 1
168 0.08831047E+02 0.04357195E-01-0.04109067E-05-0.02368723E-08 0.04376520E-12 2
169 0.03847420E+06-0.02177919E+03 0.04754200E+02 0.01108028E+00 0.02793323E-05 3
170 -0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4
171 AC3H4 40687C 3H 4 G 0300.00 5000.00 1000.00 1
172 0.05729144E+02 0.01236804E+00-0.04805627E-04 0.08601364E-08-0.05812802E-12 2
173 0.02012984E+06-0.09448668E+02-0.02131969E+01 0.03358714E+00-0.03804870E-03 3
174 0.02745838E-06-0.08690044E-10 0.02162048E+06 0.02029393E+03 4
175 PC3H4 40687C 3H 4 G 0300.00 5000.00 1000.00 1
176 0.05511034E+02 0.01246956E+00-0.04814165E-04 0.08573769E-08-0.05771561E-12 2
177 0.01961967E+06-0.01079475E+03 0.06271447E+01 0.03116179E+00-0.03747664E-03 3
178 0.02964118E-06-0.09987382E-10 0.02083493E+06 0.01346880E+03 4
179 H2C4O 120189H 2C 4O 1 G 0300.00 4000.00 1000.00 1
180 0.01026888E+03 0.04896164E-01-0.04885081E-05-0.02708566E-08 0.05107013E-12 2
181 0.02346903E+06-0.02815985E+03 0.04810971E+02 0.01313999E+00 0.09865073E-05 3
182 -0.06120720E-07 0.01640003E-10 0.02545803E+06 0.02113424E+02 4
183 C5H2 20587C 5H 2 G 0300.00 5000.00 1000.00 1
184 0.01132917E+03 0.07424057E-01-0.02628189E-04 0.04082541E-08-0.02301333E-12 2
185 0.07878706E+06-0.03617117E+03 0.03062322E+02 0.02709998E+00-0.01009170E-03 3
186 -0.01272745E-06 0.09167219E-10 0.08114969E+06 0.07071078E+02 4
187 C5H3 20387C 5H 3 G 0300.00 5000.00 1000.00 1
188 0.01078762E+03 0.09539619E-01-0.03206745E-04 0.04733323E-08-0.02512135E-12 2
189 0.06392904E+06-0.03005444E+03 0.04328720E+02 0.02352480E+00-0.05856723E-04 3
190 -0.01215449E-06 0.07726478E-10 0.06588531E+06 0.04173259E+02 4
191 C4H4 HW /94C 4H 4 0 0G 300.000 3000.000 1
192 0.66507092E+01 0.16129434E-01-0.71938875E-05 0.14981787E-08-0.11864110E-12 2
193 0.31195992E+05-0.97952118E+01-0.19152479E+01 0.52750878E-01-0.71655944E-04 3
194 0.55072423E-07-0.17286228E-10 0.32978504E+05 0.31419983E+02 4
195 n-C4H3 HW /94C 4H 3 0 0G 300.000 3000.000 1
196 0.54328279E+01 0.16860981E-01-0.94313109E-05 0.25703895E-08-0.27456309E-12 2
197 0.61600680E+05-0.15673981E+01-0.31684113E+00 0.46912100E-01-0.68093810E-04 3
198 0.53179921E-07-0.16523005E-10 0.62476199E+05 0.24622559E+02 4
199 i-C4H3 AB1/93C 4H 3 0 0G 300.000 3000.000 1
200 0.90978165E+01 0.92207119E-02-0.33878441E-05 0.49160498E-09-0.14529780E-13 2
201 0.56600574E+05-0.19802597E+02 0.20830412E+01 0.40834274E-01-0.62159685E-04 3
202 0.51679358E-07-0.17029184E-10 0.58005129E+05 0.13617462E+02 4
203 C2H3O T04/83O 1H 3C 2 0G 300.000 5000.000 1
204 0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2
205 0.49032178E+03-0.50320879E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3
206 0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95714535E+01 0.30474436E+04 4
207 n-C4H5 HW /94C 4H 5 0 0G 300.000 3000.000 1
208 0.98501978E+01 0.10779008E-01-0.13672125E-05-0.77200535E-09 0.18366314E-12 2
209 0.38840301E+05-0.26001846E+02 0.16305321E+00 0.39830137E-01-0.34000128E-04 3
210 0.15147233E-07-0.24665825E-11 0.41429766E+05 0.23536163E+02 4
211 i-C4H5 HW /94C 4H 5 0 0G 300.000 3000.000 1
212 0.10229092E+02 0.94850138E-02-0.90406445E-07-0.12596100E-08 0.24781468E-12 2
213 0.34642812E+05-0.28564529E+02-0.19932900E-01 0.38005672E-01-0.27559450E-04 3
214 0.77835551E-08 0.40209383E-12 0.37496223E+05 0.24394241E+02 4
215 n-C4H7 HW /94C 4H 7 0 0G 300.000 3000.000 1
216 0.11963392E+02 0.11425305E-01 0.78948909E-06-0.19858872E-08 0.36873645E-12 2
217 0.16962977E+05-0.37542908E+02 0.28698254E+00 0.36964495E-01-0.86277441E-05 3
218 -0.15051821E-07 0.89891263E-11 0.20551301E+05 0.24484467E+02 4
219 C4H6 HW /94C 4H 6 0 0G 300.000 3000.000 1
220 0.88673134E+01 0.14918670E-01-0.31548716E-05-0.41841330E-09 0.15761258E-12 2
221 0.91338516E+04-0.23328171E+02 0.11284465E+00 0.34369022E-01-0.11107392E-04 3
222 -0.92106660E-08 0.62065179E-11 0.11802270E+05 0.23089996E+02 4
223 C4H612 A 8/83C 4H 6 0 0G 300. 3000. 1000.0 1
224 0.1781557E 02 -0.4257502E-02 0.1051185E-04 -0.4473844E-08 0.5848138E-12 2
225 0.1267342E 05 -0.6982662E 02 0.1023467E 01 0.3495919E-01 -0.2200905E-04 3
226 0.6942272E-08 -0.7879187E-12 0.1811799E 05 0.1975066E 02 0.1950807E+05 4
227 l-C6H4 HW /94C 6H 4 0 0G 300.000 3000.000 1
228 0.12715182E+02 0.13839662E-01-0.43765440E-05 0.31541636E-09 0.46619026E-13 2
229 0.57031148E+05-0.39464600E+02 0.29590225E+00 0.58053318E-01-0.67766756E-04 3
230 0.43376762E-07-0.11418864E-10 0.60001371E+05 0.22318970E+02 4
231 c-C6H4 HW /94C 6H 4 0 0G 300.000 3000.000 1
232 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2
233 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3
234 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4
235 c-C6H3 FAKE C 6H 3 0 0G 300.000 3000.000 1
236 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2
237 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3
238 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4
239 n-C6H5 HW /94C 6H 5 0 0G 300.000 3000.000 1
240 0.16070068E+02 0.81899539E-02 0.17325165E-05-0.20624185E-08 0.36292345E-12 2
241 0.64616867E+05-0.56163742E+02-0.61135769E+00 0.65082610E-01-0.78262397E-04 3
242 0.53030828E-07-0.14946683E-10 0.68805375E+05 0.27635468E+02 4
243 l-C6H6 HW /94C 6H 6 0 0G 300.000 3000.000 1
244 0.10874918E+02 0.23293324E-01-0.94495535E-05 0.16255329E-08-0.84771200E-13 2
245 0.36224055E+05-0.30326756E+02 0.59114441E-01 0.55723339E-01-0.43485274E-04 3
246 0.14487391E-07-0.52512541E-12 0.39042688E+05 0.24796795E+02 4
247 c-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
248 0.19996841E+02 0.11189543E-02 0.11649756E-04-0.62779471E-08 0.94939508E-12 2
249 0.16730059E+05-0.83746933E+02-0.30328493E+01 0.50804518E-01-0.69150292E-05 3
250 -0.29715974E-07 0.16296353E-10 0.23895383E+05 0.38909180E+02 4
251 n-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
252 0.22577469E+02-0.30737517E-02 0.14225234E-04-0.69880848E-08 0.10232874E-11 2
253 0.41228980E+05-0.91568619E+02 0.13248032E+00 0.57103366E-01-0.43712644E-04 3
254 0.15538603E-07-0.12976356E-11 0.47730512E+05 0.25339081E+02 4
255 C6H8 HW /94C 6H 8 0 0G 300.000 3000.000 1
256 0.28481979E+02-0.15702948E-01 0.26771697E-04-0.11780109E-07 0.16573427E-11 2
257 0.93346445E+04-0.12500226E+03 0.15850439E+01 0.40215142E-01 0.78439543E-05 3
258 -0.38761325E-07 0.18545207E-10 0.17949613E+05 0.19112625E+02 4
259 C6H3 HW /94C 6H 3 0 0G 300.000 3000.000 1
260 0.58188343E+01 0.27933408E-01-0.17825427E-04 0.53702536E-08-0.61707627E-12 2
261 0.85188250E+05-0.92147827E+00 0.11790619E+01 0.55547360E-01-0.73076168E-04 3
262 0.52076736E-07-0.15046964E-10 0.85647312E+05 0.19179199E+02 4
263 i-C6H5 HW /94C 6H 5 0 0G 300.000 3000.000 1
264 0.22501663E+02-0.81009977E-02 0.15955695E-04-0.72310371E-08 0.10310424E-11 2
265 0.58473410E+05-0.91224777E+02-0.78585434E+00 0.60221825E-01-0.62890264E-04 3
266 0.36310730E-07-0.87000259E-11 0.64942270E+05 0.28658905E+02 4
267 i-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
268 0.20481506E+02 0.79439697E-03 0.11450761E-04-0.60991177E-08 0.91756724E-12 2
269 0.37728426E+05-0.81812073E+02-0.17099094E+01 0.62486034E-01-0.54290707E-04 3
270 0.26959682E-07-0.58999090E-11 0.44086621E+05 0.33344772E+02 4
271 A1 HW /94C 6H 6 0 0G 300.000 3000.000 1
272 0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2
273 0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3
274 0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4
275 A1- HW /94C 6H 5 0 0G 300.000 3000.000 1
276 0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2
277 0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3
278 0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4
279 A1C2H HW /94C 8H 6 0 0G 300.000 3000.000 1
280 0.24090759E+02 0.78232400E-03 0.11453964E-04-0.61620504E-08 0.93346685E-12 2
281 0.27429445E+05-0.10499631E+03-0.52645016E+01 0.84511042E-01-0.76597848E-04 3
282 0.33216978E-07-0.47673063E-11 0.35566242E+05 0.46378815E+02 4
283 A1C2H* HW /94C 8H 5 0 0G 300.000 3000.000 1
284 0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2
285 0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3
286 -0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4
287 A1C2H- HW /94C 8H 5 0 0G 300.000 3000.000 1
288 0.12359501E+02 0.25453357E-01-0.10606554E-04 0.18914603E-08-0.10630622E-12 2
289 0.60930461E+05-0.40900208E+02-0.44495859E+01 0.76995067E-01-0.66617038E-04 3
290 0.25038682E-07-0.19756601E-11 0.65225926E+05 0.44427948E+02 4
291 n-A1C2H2 HW /94C 8H 7 0 0G 300.000 3000.000 1
292 0.30433151E+02-0.13965182E-01 0.25416972E-04-0.11354174E-07 0.16092050E-11 2
293 0.35738719E+05-0.13416492E+03-0.44899931E+01 0.78750789E-01-0.62376959E-04 3
294 0.21952140E-07-0.16960955E-11 0.45902949E+05 0.47980759E+02 4
295 i-A1C2H2 HW /94C 8H 7 0 0G 300.000 3000.000 1
296 0.24365524E+02 0.11262144E-02 0.12931670E-04-0.69641146E-08 0.10540145E-11 2
297 0.33549121E+05-0.10462067E+03-0.25971584E+01 0.63454390E-01-0.20852312E-04 3
298 -0.22604624E-07 0.15112869E-10 0.41707375E+05 0.37893417E+02 4
299 A1C2H3 HW /94C 8H 8 0 0G 300.000 3000.000 1
300 0.11303213E+02 0.33709887E-01-0.13208885E-04 0.21140962E-08-0.87311377E-13 2
301 0.11725388E+05-0.34737919E+02-0.38678493E+01 0.67947865E-01-0.25230333E-04 3
302 -0.18017145E-07 0.12998470E-10 0.16200269E+05 0.45271770E+02 4
303 A1C2H3* HW /94C 8H 7 0 0G 300.000 3000.000 1
304 0.11563599E+02 0.30210810E-01-0.11545593E-04 0.17302320E-08-0.52379765E-13 2
305 0.40498492E+05-0.34882965E+02-0.38868685E+01 0.68168961E-01-0.34805875E-04 3
306 -0.56410254E-08 0.80714758E-11 0.44941359E+05 0.45943188E+02 4
307 A1C2HC2H2 HW /94C 10H 7 0 0G 300.000 3000.000 1
308 0.37523422E+02-0.17028838E-01 0.28777416E-04-0.12719674E-07 0.17976818E-11 2
309 0.61041488E+05-0.17188731E+03-0.63184557E+01 0.11657917E+00-0.13638573E-03 3
310 0.88823526E-07-0.24348468E-10 0.72977062E+05 0.52624207E+02 4
311 A1C2H)2 HW /94C 10H 6 0 0G 300.000 3000.000 1
312 0.39766785E+02-0.24939798E-01 0.34210185E-04-0.14473258E-07 0.20104023E-11 2
313 0.50136750E+05-0.18657632E+03-0.75570364E+01 0.12159592E+00-0.15138849E-03 3
314 0.10287488E-06-0.28950911E-10 0.62914168E+05 0.55213287E+02 4
315 A2-1 HW /94C 10H 7 0 0G 300.000 3000.000 1
316 0.38380905E+02-0.23157451E-01 0.35479272E-04-0.15395457E-07 0.21609069E-11 2
317 0.32698469E+05-0.18106512E+03-0.85287294E+01 0.10334599E+00-0.91922702E-04 3
318 0.43147448E-07-0.85738135E-11 0.46335004E+05 0.63342224E+02 4
319 A2-2 HW /94C 10H 7 0 0G 300.000 3000.000 1
320 0.37326401E+02-0.20478070E-01 0.33183067E-04-0.14576987E-07 0.20569137E-11 2
321 0.32840301E+05-0.17537704E+03-0.38448524E+01 0.70514679E-01-0.93748040E-05 3
322 -0.44051607E-07 0.24267865E-10 0.45627656E+05 0.43582001E+02 4
323 A2 HW /94C 10H 8 0 0G 300.000 3000.000 1
324 0.36468643E+02-0.15419513E-01 0.30160038E-04-0.13700120E-07 0.19582730E-11 2
325 0.35091445E+04-0.17329489E+03-0.94505043E+01 0.11137849E+00-0.10345667E-03 3
326 0.52800392E-07-0.11804439E-10 0.16695594E+05 0.65187668E+02 4
327 naphthyne HW /94C 10H 6 0 0G 300.000 3000.000 1
328 0.37680222E+02-0.23843173E-01 0.34590019E-04-0.14841252E-07 0.20744023E-11 2
329 0.45771934E+05-0.17676088E+03-0.68131294E+01 0.96868336E-01-0.87982247E-04 3
330 0.41858918E-07-0.82716637E-11 0.58661090E+05 0.54849548E+02 4
331 A2C2H2 HW /94C 12H 9 0 0G 300.000 3000.000 1
332 0.38449295E+02-0.62794946E-02 0.24404828E-04-0.11968822E-07 0.17586878E-11 2
333 0.41090176E+05-0.17668623E+03-0.78516331E+01 0.12104863E+00-0.10531662E-03 3
334 0.46280483E-07-0.77963885E-11 0.54316234E+05 0.63654388E+02 4
335 A2C2HA HW /94C 12H 8 0 0G 300.000 3000.000 1
336 0.49453674E+02-0.33857111E-01 0.46505607E-04-0.19681195E-07 0.27340769E-11 2
337 0.26851051E+05-0.23933099E+03-0.11530450E+02 0.14741433E+00-0.17302344E-03 3
338 0.11500390E-06-0.32709183E-10 0.43793129E+05 0.74391754E+02 4
339 A2C2HB HW /94C 12H 8 0 0G 300.000 3000.000 1
340 0.18184774E+02 0.41343965E-01-0.17302822E-04 0.31004770E-08-0.17580817E-12 2
341 0.36171543E+05-0.73466003E+02-0.68233256E+01 0.11382083E+00-0.88584900E-04 3
342 0.25930856E-07 0.80712824E-12 0.42797719E+05 0.54592098E+02 4
343 A2C2HA* HW /94C 12H 7 0 0G 300.000 3000.000 1
344 0.36614349E+02-0.60314685E-02 0.21614964E-04-0.10579910E-07 0.15563124E-11 2
345 0.60723898E+05-0.17026691E+03-0.84175968E+01 0.12391680E+00-0.12250672E-03 3
346 0.64071344E-07-0.13889583E-10 0.73248562E+05 0.61893204E+02 4
347 A2C2HB* HW /94C 12H 7 0 0G 300.000 3000.000 1
348 0.44933517E+02-0.26026871E-01 0.38589074E-04-0.16646357E-07 0.23321310E-11 2
349 0.57926637E+05-0.21417279E+03-0.11824737E+02 0.14904183E+00-0.18618468E-03 3
350 0.13129460E-06-0.39145326E-10 0.73385375E+05 0.76273834E+02 4
351 A2C2H)2 HW /94C 14H 8 0 0G 300.000 3000.000 1
352 0.23671062E+02 0.42137049E-01-0.17596645E-04 0.31081251E-08-0.16805216E-12 2
353 0.77926273E+05-0.99615448E+02-0.63029008E+01 0.13745695E+00-0.13055481E-03 3
354 0.60730663E-07-0.10178345E-10 0.85489430E+05 0.51891548E+02 4
355 A2HR5 HW /94C 12H 9 0 0G 300.000 3000.000 1
356 0.51227890E+02-0.36250230E-01 0.50296483E-04-0.21346413E-07 0.29698119E-11 2
357 0.32111648E+05-0.25061665E+03-0.92796507E+01 0.11707741E+00-0.78334211E-04 3
358 0.10778407E-07 0.66555260E-11 0.50063973E+05 0.66712509E+02 4
359 A2R5 HW /94C 12H 8 0 0G 300.000 3000.000 1
360 0.45883698E+02-0.27226903E-01 0.41569336E-04-0.18047093E-07 0.25351396E-11 2
361 0.13394574E+05-0.22304584E+03-0.97011614E+01 0.12019449E+00-0.98907694E-04 3
362 0.37240884E-07-0.41124578E-11 0.29601926E+05 0.66970596E+02 4
363 A3-4 HW /94C 14H 9 0 0G 300.000 3000.000 1
364 0.55788879E+02-0.37930615E-01 0.53528085E-04-0.22830790E-07 0.31841231E-11 2
365 0.32605633E+05-0.27378882E+03-0.11266616E+02 0.14216852E+00-0.12632679E-03 3
366 0.58348800E-07-0.11184283E-10 0.52141961E+05 0.75774780E+02 4
367 A3-1 HW /94C 14H 9 0 0G 300.000 3000.000 1
368 0.51812469E+02-0.28380312E-01 0.45409150E-04-0.19924162E-07 0.28118107E-11 2
369 0.34357359E+05-0.25257889E+03-0.73971558E+01 0.11464679E+00-0.57456185E-04 3
370 -0.14070547E-07 0.16005933E-10 0.52239715E+05 0.59582397E+02 4
371 A3 HW /94C 14H 10 0 0G 300.000 3000.000 1
372 0.55916473E+02-0.35253201E-01 0.52522926E-04-0.22672634E-07 0.31770584E-11 2
373 0.32654609E+04-0.27604980E+03-0.12275226E+02 0.15032256E+00-0.13862801E-03 3
374 0.69376767E-07-0.15105445E-10 0.23030492E+05 0.78889145E+02 4
375 A3C2H2 HW /94C 16H 11 0 0G 300.000 3000.000 1
376 0.47582428E+02-0.12822752E-02 0.25647692E-04-0.13378838E-07 0.20086545E-11 2
377 0.46191215E+05-0.22653258E+03-0.95893555E+01 0.15080631E+00-0.11617327E-03 3
378 0.36814228E-07-0.12802901E-11 0.62701906E+05 0.71309311E+02 4
379 A3C2H HW /94C 16H 10 0 0G 300.000 3000.000 1
380 0.52165146E+02-0.13197318E-01 0.34353056E-04-0.16283892E-07 0.23677362E-11 2
381 0.34235055E+05-0.25406651E+03-0.11602674E+02 0.16824394E+00-0.16432030E-03 3
382 0.86394380E-07-0.19310567E-10 0.52172836E+05 0.75515366E+02 4
383 A4H HW /94C 16H 11 0 0G 300.000 3000.000 1
384 0.53775238E+02-0.15681151E-01 0.38488797E-04-0.18134241E-07 0.26325071E-11 2
385 0.24154484E+05-0.26532764E+03-0.12209255E+02 0.15599608E+00-0.11474930E-03 3
386 0.30214796E-07 0.18287498E-11 0.43453211E+05 0.79503540E+02 4
387 A4 HW /94C 16H 10 0 0G 300.000 3000.000 1
388 0.58017273E+02-0.29164989E-01 0.48728383E-04-0.21593682E-07 0.30609786E-11 2
389 0.43451016E+04-0.29017163E+03-0.13759249E+02 0.16772294E+00-0.15500121E-03 3
390 0.75759544E-07-0.15674045E-10 0.24996187E+05 0.82853027E+02 4
391 A4- HW /94C 16H 9 0 0G 300.000 3000.000 1
392 0.22088816E+02 0.53355407E-01-0.22329932E-04 0.39479620E-08-0.21313176E-12 2
393 0.45200934E+05-0.96724930E+02-0.96258593E+01 0.13385314E+00-0.77600773E-04 3
394 -0.36330547E-08 0.13855670E-10 0.54171852E+05 0.68499725E+02 4
395 P2 HW /94C 12H 10 0 0G 300.000 3000.000 1
396 0.50761871E+02-0.34501564E-01 0.50293413E-04-0.21559579E-07 0.30097192E-11 2
397 0.21538867E+04-0.24670712E+03-0.10283234E+02 0.12428707E+00-0.95990268E-04 3
398 0.32294793E-07-0.23045229E-11 0.20165258E+05 0.72707947E+02 4
399 P2- HW /94C 12H 9 0 0G 300.000 3000.000 1
400 0.44711853E+02-0.22851825E-01 0.39102117E-04-0.17352100E-07 0.24579375E-11 2
401 0.33714000E+05-0.21220692E+03-0.11851097E+02 0.13545156E+00-0.13310938E-03 3
402 0.73769911E-07-0.18193003E-10 0.49878781E+05 0.81107361E+02 4
403 P2-H HW /94C 12H 11 0 0G 300.000 3000.000 1
404 0.41542511E+02-0.83502531E-02 0.29097937E-04-0.14148299E-07 0.20728341E-11 2
405 0.22772937E+05-0.19578616E+03-0.99978790E+01 0.12279570E+00-0.80112615E-04 3
406 0.11102152E-07 0.64273890E-11 0.37960410E+05 0.74195984E+02 4
407 C5H5 L 7/89C 5H 5 0 0G 200.000 6000.000 1
408 0.10844066d+02 0.15392837d-01-0.55630421d-05 0.90189371d-09-0.54156531d-13 2
409 0.26900566d+05-0.35254948d+02-0.95903718d+00 0.31396859d-01 0.26723794d-04 3
410 -0.68941872d-07 0.33301856d-10 0.30729120d+05 0.29072816d+02 0.31954258d+05 4
411 C5H6 C-P10/85C 5H 6 0 0G 298.150 5000.000 1
412 0.10624320E 02 0.17735448E-01-0.62330446E-05 0.97308317E-09-0.55500130E-13 2
413 0.10772188E 05-0.35773422E 02-0.28978958E 01 0.43484777E-01-0.33511005E-05 3
414 -0.31103756E-07 0.16912444E-10 0.15084742E 05 0.36894760E 02 0.16068486E 05 4
415 C6H5O L12/84C 6H 5O 1 0G 300.000 5000.000 1
416 0.13833984E 02 0.17618403E-01-0.60696257E-05 0.91988173E-09-0.50449181E-13 2
417 -0.69212549E 03-0.50392990E 02-0.18219433E 01 0.48122510E-01-0.46792302E-05 3
418 -0.34018594E-07 0.18649637E-10 0.42429180E 04 0.33526199E 02 0.57367379E 04 4
419 C6H5OH L 4/84C 6H 6O 1 0G 300.000 5000.000 1
420 0.14912073E 02 0.18378135E-01-0.61983128E-05 0.91983221E-09-0.49209565E-13 2
421 -0.18375199E 05-0.55924103E 02-0.16956539E 01 0.52271299E-01-0.72024050E-05 3
422 -0.35859603E-07 0.20449073E-10-0.13284121E 05 0.32542160E 02-0.11594207E 05 4
423 C5H4OH L 8/89C 5H 5O 1 0G 200.000 6000.000 1
424 0.13367912d+02 0.15205785d-01-0.54592258d-05 0.88134866d-09-0.52774454d-13 2
425 0.38411506d+04-0.45920839d+02-0.12822236d+01 0.49041160d-01-0.13688997d-04 3
426 -0.29133858d-07 0.19006964d-10 0.80087098d+04 0.30798358d+02 0.96365992d+04 4
427 C5H4O P 1/93C 5H 4O 1 0G 300.000 3000.000 1
428 0.47927242E+01 0.29221680E-01-0.15997486E-04 0.42069049E-08-0.42815179E-12 2
429 0.22849286E+04-0.30131893E+01-0.23915355E+01 0.47363680E-01-0.30728171E-04 3
430 0.78031552E-08-0.25145729E-12 0.43740152E+04 0.34594337E+02 4
431 C5H5O L 7/89C 5O 1H 5 0G 200.000 6000.000 1
432 0.12606422d+02 0.16747260d-01-0.61098574d-05 0.99676557d-09-0.60113201d-13 2
433 0.39313455d+04-0.42604277d+02 0.23042835d+00 0.32322691d-01 0.28900443d-04 3
434 -0.70679977d-07 0.33406891d-10 0.80753082d+04 0.25330974E 02 4