531 lines
22 KiB
Text
531 lines
22 KiB
Text
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Tutorial 4: Chemical Equilibrium
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gri30:
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temperature 2553.99 K
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pressure 871585 Pa
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density 1.12476 kg/m^3
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mean mol. weight 27.4035 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy 442380 1.212e+07 J
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internal energy -332524 -9.112e+06 J
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entropy 9442.41 2.588e+05 J/K
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Gibbs function -2.36735e+07 -6.487e+08 J
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heat capacity c_p 1525.44 4.18e+04 J/K
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heat capacity c_v 1222.03 3.349e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 0.00402506 0.000296094 -23.6485
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H 0.000686819 2.52622e-05 -11.8243
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O 0.000717033 0.000418636 -15.946
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O2 0.0125283 0.0146292 -31.8921
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OH 0.00645067 0.00400346 -27.7703
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H2O 0.172006 0.113078 -39.5946
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HO2 4.45917e-06 5.37094e-06 -43.7164
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H2O2 4.48786e-07 5.57057e-07 -55.5406
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C 1.99153e-15 8.72891e-16 -20.1289
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CH 3.95063e-16 1.87688e-16 -31.9532
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CH2 8.18284e-16 4.1885e-16 -43.7774
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CH2(S) 6.40708e-17 3.27956e-17 -43.7774
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CH3 2.91227e-15 1.5978e-15 -55.6017
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CH4 9.67268e-16 5.66265e-16 -67.426
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CO 0.0116016 0.0118585 -36.075
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CO2 0.0781996 0.125588 -52.021
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HCO 9.11292e-09 9.64993e-09 -47.8992
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CH2O 1.63044e-10 1.78649e-10 -59.7235
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CH2OH 3.04813e-15 3.45198e-15 -71.5477
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CH3O 6.06821e-17 6.8722e-17 -71.5477
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CH3OH 2.12474e-16 2.4844e-16 -83.372
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C2H 1.8502e-21 1.68995e-21 -52.0821
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C2H2 1.3533e-19 1.28586e-19 -63.9064
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C2H3 4.93909e-24 4.87462e-24 -75.7306
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C2H4 2.85012e-24 2.91775e-24 -87.5549
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C2H5 1.49568e-28 1.58618e-28 -99.3791
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C2H6 8.26066e-30 9.06435e-30 -111.203
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HCCO 8.47241e-18 1.26851e-17 -68.0282
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CH2CO 7.31707e-18 1.12245e-17 -79.8524
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HCCOH 1.81733e-20 2.7878e-20 -79.8524
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N 1.37429e-07 7.02442e-08 -12.9886
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NH 2.98445e-08 1.63521e-08 -24.8129
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NH2 1.13822e-08 6.65507e-09 -36.6371
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NH3 1.8813e-08 1.16918e-08 -48.4614
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NNH 1.31918e-08 1.39706e-08 -37.8015
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NO 0.0058614 0.00641808 -28.9347
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NO2 3.54907e-06 5.95825e-06 -44.8807
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N2O 9.11472e-07 1.46392e-06 -41.9233
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HNO 3.64973e-07 4.1306e-07 -40.7589
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CN 2.47152e-12 2.34654e-12 -33.1176
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HCN 2.62815e-10 2.59191e-10 -44.9418
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H2CN 5.07125e-16 5.18786e-16 -56.7661
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HCNN 5.50768e-19 8.24689e-19 -57.9305
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HCNO 9.17241e-15 1.44012e-14 -60.8879
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HOCN 2.67831e-11 4.2051e-11 -60.8879
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HNCO 4.55228e-09 7.14734e-09 -60.8879
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NCO 3.40139e-10 5.21526e-10 -49.0636
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N2 0.707914 0.723671 -25.9773
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AR 0 0
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C3H7 3.06134e-42 4.81357e-42 -143.157
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C3H8 1.58019e-43 2.54277e-43 -154.981
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CH2CHO 1.51542e-22 2.38041e-22 -91.6767
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CH3CHO 2.467e-23 3.96589e-23 -103.501
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gri30:
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temperature 302.065 K
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pressure 102023 Pa
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density 1.12476 kg/m^3
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mean mol. weight 27.6886 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.87007e+06 -7.947e+07 J
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internal energy -2.96078e+06 -8.198e+07 J
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entropy 7232.24 2.003e+05 J/K
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Gibbs function -5.05468e+06 -1.4e+08 J
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heat capacity c_p 1107.01 3.065e+04 J/K
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heat capacity c_v 806.725 2.234e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 5.90483e-40 4.29903e-41 -106.038
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H 1.84877e-55 6.73003e-57 -53.0191
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O 9.0363e-42 5.22148e-42 -14.6591
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O2 0.0095511 0.0110379 -29.3182
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OH 2.50192e-27 1.53677e-27 -67.6782
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H2O 0.181471 0.118072 -120.697
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HO2 1.08385e-26 1.29203e-26 -82.3374
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H2O2 9.10306e-24 1.11829e-23 -135.356
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C 6.41426e-184 2.78243e-184 -155.469
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CH 5.25322e-185 2.47002e-185 -208.488
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CH2 5.47296e-172 2.77257e-172 -261.508
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CH2(S) 9.38167e-179 4.7527e-179 -261.508
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CH3 1.35417e-152 7.35309e-153 -314.527
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CH4 1.02022e-137 5.91116e-138 -367.546
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CO 3.53618e-45 3.57728e-45 -170.128
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CO2 0.0907354 0.14422 -184.788
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HCO 3.47186e-93 3.63859e-93 -223.148
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CH2O 1.8281e-90 1.98244e-90 -276.167
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CH2OH 2.01279e-128 2.256e-128 -329.186
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CH3O 1.4089e-134 1.57913e-134 -329.186
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CH3OH 1.90738e-119 2.20728e-119 -382.205
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C2H 1.46931e-245 1.32823e-245 -363.958
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C2H2 8.7204e-211 8.20052e-211 -416.977
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C2H3 1.84636e-244 1.8035e-244 -469.996
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C2H4 1.707e-225 1.72951e-225 -523.015
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C2H5 1.65232e-258 1.73426e-258 -576.034
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C2H6 1.88561e-247 2.04776e-247 -629.053
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HCCO 5.94429e-183 8.80832e-183 -378.617
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CH2CO 2.64899e-167 4.02174e-167 -431.636
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HCCOH 2.00585e-189 3.04531e-189 -431.636
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N 1.57223e-79 7.95338e-80 -11.6787
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NH 4.43286e-81 2.4038e-81 -64.6979
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NH2 7.06614e-75 4.08898e-75 -117.717
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NH3 7.13572e-57 4.389e-57 -170.736
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NNH 2.55443e-65 2.67739e-65 -76.3766
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NO 6.09712e-17 6.60745e-17 -26.3378
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NO2 6.67842e-12 1.10964e-11 -40.9969
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N2O 7.38477e-20 1.17386e-19 -38.0165
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HNO 4.98645e-42 5.58533e-42 -79.357
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CN 1.35859e-138 1.27661e-138 -167.148
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HCN 1.99985e-108 1.95197e-108 -220.167
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H2CN 1.98671e-150 2.01146e-150 -273.186
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HCNN 2.89515e-168 4.2904e-168 -231.846
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HCNO 1.30238e-119 2.02376e-119 -234.826
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HOCN 5.01923e-88 7.79933e-88 -234.826
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HNCO 1.0136e-69 1.57503e-69 -234.826
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NCO 2.43922e-90 3.70149e-90 -181.807
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N2 0.718243 0.72667 -23.3574
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AR 0 0
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C3H7 0 0
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C3H8 0 0
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CH2CHO 1.45246e-201 2.25803e-201 -484.655
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CH3CHO 1.03051e-191 1.63957e-191 -537.674
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gri30:
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temperature 301.504 K
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pressure 101325 Pa
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density 1.11915 kg/m^3
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mean mol. weight 27.6886 amu
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1 kg 1 kmol
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----------- ------------
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enthalpy -2.8707e+06 -7.949e+07 J
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internal energy -2.96123e+06 -8.199e+07 J
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entropy 7232.24 2.003e+05 J/K
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Gibbs function -5.05124e+06 -1.399e+08 J
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heat capacity c_p 1106.87 3.065e+04 J/K
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heat capacity c_v 806.589 2.233e+04 J/K
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X Y Chem. Pot. / RT
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------------- ------------ ------------
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H2 4.95198e-40 3.60531e-41 -106.221
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H 1.44518e-55 5.26084e-57 -53.1105
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O 7.53699e-42 4.35513e-42 -14.6625
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O2 0.0095511 0.0110379 -29.325
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OH 2.22527e-27 1.36684e-27 -67.773
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H2O 0.181471 0.118072 -120.884
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HO2 9.80017e-27 1.16825e-26 -82.4355
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H2O2 8.38635e-24 1.03024e-23 -135.546
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C 2.83435e-184 1.22951e-184 -155.761
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CH 2.31463e-185 1.08832e-185 -208.872
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CH2 2.56229e-172 1.29804e-172 -261.982
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CH2(S) 4.27158e-179 2.16396e-179 -261.982
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CH3 6.94155e-153 3.76924e-153 -315.093
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CH4 5.6254e-138 3.25935e-138 -368.203
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CO 2.87641e-45 2.90985e-45 -170.424
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CO2 0.0907354 0.14422 -185.086
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HCO 2.30169e-93 2.41223e-93 -223.534
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CH2O 1.23682e-90 1.34124e-90 -276.645
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CH2OH 1.15914e-128 1.2992e-128 -329.755
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CH3O 7.92983e-135 8.88799e-135 -329.755
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CH3OH 1.1511e-119 1.3321e-119 -382.866
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C2H 4.94791e-246 4.47281e-246 -364.633
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C2H2 3.44386e-211 3.23855e-211 -417.743
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C2H3 6.31093e-245 6.16442e-245 -470.854
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C2H4 6.39694e-226 6.4813e-226 -523.964
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C2H5 5.38052e-259 5.64735e-259 -577.075
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C2H6 6.51226e-248 7.07227e-248 -630.186
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HCCO 2.66183e-183 3.94433e-183 -379.295
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CH2CO 1.27936e-167 1.94234e-167 -432.406
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HCCOH 8.82312e-190 1.33954e-189 -432.406
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N 1.11102e-79 5.62026e-80 -11.6821
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NH 3.11519e-81 1.68927e-81 -64.7926
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NH2 5.12159e-75 2.96372e-75 -117.903
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NH3 5.63155e-57 3.46383e-57 -171.014
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NNH 1.93738e-65 2.03064e-65 -76.4748
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NO 5.69799e-17 6.17492e-17 -26.3446
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NO2 6.48898e-12 1.07817e-11 -41.0071
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N2O 6.92732e-20 1.10114e-19 -38.0267
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HNO 4.20597e-42 4.71112e-42 -79.4551
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CN 7.35311e-139 6.90939e-139 -167.443
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HCN 1.24128e-108 1.21156e-108 -220.554
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H2CN 1.03223e-150 1.04509e-150 -273.664
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HCNN 1.40062e-168 2.07561e-168 -232.236
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HCNO 7.81927e-120 1.21503e-119 -235.216
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HOCN 3.45118e-88 5.36277e-88 -235.216
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HNCO 7.54112e-70 1.17181e-69 -235.216
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NCO 1.65202e-90 2.50692e-90 -182.106
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N2 0.718243 0.72667 -23.3642
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AR 0 0
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C3H7 0 0
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C3H8 0 0
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CH2CHO 6.06557e-202 9.42964e-202 -485.516
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CH3CHO 4.52646e-192 7.2017e-192 -538.627
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0 2.4e-06 2.4e-06
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1 4.58e-06 4.58e-06
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2 0.141 0.141
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3 0.00013 0.00013
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4 8.95e-06 8.95e-06
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5 1.97e-16 1.97e-16
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6 6.97e-16 6.97e-16
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7 7.66e-18 7.66e-18
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8 7.66e-18 7.66e-18
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9 2.49e-15 2.49e-15
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10 3.01e-16 3.01e-16
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11 0.0001 0.0001
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12 6.15e-08 6.15e-08
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13 6.15e-08 6.15e-08
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14 4.82e-10 4.82e-10
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15 5.69e-16 5.69e-16
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16 8.84e-18 8.84e-18
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17 1.75e-16 1.75e-16
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18 3.78e-17 3.78e-17
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19 5.93e-23 5.93e-23
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20 1.2e-20 1.2e-20
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21 3.31e-22 3.31e-22
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22 6.15e-21 6.15e-21
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23 4.38e-26 4.38e-26
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24 2.09e-26 2.09e-26
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25 2.22e-31 2.22e-31
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26 3.88e-32 3.88e-32
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27 3.75e-18 3.75e-18
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28 6.89e-20 6.89e-20
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29 5.56e-20 5.56e-20
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30 6.44e-05 6.44e-05
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31 1.16e-11 1.16e-11
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32 0.000218 0.000218
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33 6.59e-06 6.59e-06
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34 0.00239 0.00239
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35 0.000555 0.000555
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37 0.226 0.226
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38 2.98e-06 2.98e-06
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39 1.45e-08 1.45e-08
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40 6.29e-06 6.29e-06
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41 8.72e-08 8.72e-08
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42 0.000792 0.000792
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43 1.93e-05 1.93e-05
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44 0.000199 0.000199
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45 0.000413 0.000413
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46 7.46e-06 7.46e-06
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47 1.86e-06 1.86e-06
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48 4.98e-16 4.98e-16
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49 2.99e-18 2.99e-18
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50 1.34e-17 1.34e-17
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51 6.52e-17 6.52e-17
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52 2.56e-16 2.56e-16
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53 9.26e-11 9.26e-11
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54 1.32e-07 1.32e-07
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55 3.92e-13 3.92e-13
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56 1.26e-14 1.26e-14
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57 1.65e-09 1.65e-09
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58 1.99e-18 1.99e-18
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59 9.94e-16 9.94e-16
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60 1.3e-15 1.3e-15
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61 7.09e-16 7.09e-16
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62 2.09e-20 2.09e-20
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63 5.73e-18 5.73e-18
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64 1.54e-17 1.54e-17
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|
65 5.56e-17 5.56e-17
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66 2.7e-17 2.7e-17
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67 2.05e-16 2.05e-16
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68 5.07e-17 5.07e-17
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69 7.99e-25 7.99e-25
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70 5.93e-24 5.93e-24
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71 7.98e-28 7.98e-28
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72 3.82e-26 3.82e-26
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73 3.23e-29 3.23e-29
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74 2.67e-26 2.67e-26
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75 6.47e-33 6.47e-33
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76 1.74e-32 1.74e-32
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77 2.44e-32 2.44e-32
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78 3.27e-18 3.27e-18
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79 3.01e-19 3.01e-19
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80 1.95e-19 1.95e-19
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|
81 3.29e-22 3.29e-22
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82 9.89e-11 9.89e-11
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83 1.85 1.85
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84 0.00642 0.00642
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85 1.68 1.68
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86 0.00123 0.00123
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87 1.02e-05 1.02e-05
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88 0.0111 0.0111
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|
89 1.65e-14 1.65e-14
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90 1.2e-15 1.2e-15
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91 2.02e-15 2.02e-15
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92 2.74e-15 2.74e-15
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93 1.77e-16 1.77e-16
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94 1.33e-16 1.33e-16
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95 2.03e-15 2.03e-15
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96 8.84e-15 8.84e-15
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97 2.6e-15 2.6e-15
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98 0.256 0.256
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99 1.19e-06 1.19e-06
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100 1.07e-08 1.07e-08
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101 3.29e-15 3.29e-15
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102 5.12e-17 5.12e-17
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103 3.97e-16 3.97e-16
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104 1.01e-15 1.01e-15
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105 2.75e-22 2.75e-22
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106 9.78e-22 9.78e-22
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107 3.61e-21 3.61e-21
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108 2.14e-20 2.14e-20
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109 5.83e-23 5.83e-23
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110 8.45e-26 8.45e-26
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111 1.53e-25 1.53e-25
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112 2.5e-31 2.5e-31
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113 2.38e-18 2.38e-18
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114 3.84e-09 3.84e-09
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115 5.4e-07 5.4e-07
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116 5.44e-19 5.44e-19
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117 1.53e-19 1.53e-19
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118 5.8e-18 5.8e-18
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119 7.69e-05 7.69e-05
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120 1.48e-13 1.48e-13
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121 5.93e-14 5.93e-14
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122 5.97e-30 5.97e-30
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123 3.37e-29 3.37e-29
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124 9.47e-15 9.47e-15
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125 1.29e-15 1.29e-15
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126 1.6e-14 1.6e-14
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127 5.77e-31 5.77e-31
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128 2.44e-30 2.44e-30
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129 2.07e-30 2.07e-30
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130 2.48e-18 2.48e-18
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131 5.75e-15 5.75e-15
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132 4.92e-24 4.92e-24
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133 3.1e-33 3.1e-33
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135 2.8e-17 2.8e-17
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136 3.74e-30 3.74e-30
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137 8.22e-30 8.22e-30
|
|
138 1.53e-31 1.53e-31
|
|
139 3.87e-18 3.87e-18
|
|
140 4.7e-33 4.7e-33
|
|
141 1.84e-14 1.84e-14
|
|
143 5.85e-16 5.85e-16
|
|
144 2.51e-16 2.51e-16
|
|
145 2.53e-16 2.53e-16
|
|
146 8.92e-17 8.92e-17
|
|
147 1.05e-14 1.05e-14
|
|
148 1.65e-31 1.65e-31
|
|
149 9.31e-32 9.31e-32
|
|
150 8.23e-17 8.23e-17
|
|
151 1.18e-15 1.18e-15
|
|
152 2.36e-15 2.36e-15
|
|
153 6.87e-48 6.87e-48
|
|
154 6.48e-17 6.48e-17
|
|
155 4.35e-17 4.35e-17
|
|
156 1.52e-20 1.52e-20
|
|
157 4.24e-31 4.24e-31
|
|
158 1.5e-30 1.5e-30
|
|
159 1.28e-21 1.28e-21
|
|
160 1.38e-24 1.38e-24
|
|
161 3.02e-32 3.02e-32
|
|
162 1.01e-32 1.01e-32
|
|
163 4.21e-42 4.21e-42
|
|
164 5.25e-48 5.25e-48
|
|
165 1.93e-05 1.93e-05
|
|
166 1.24e-05 1.24e-05
|
|
167 1.03e-06 1.03e-06
|
|
168 3.4e-14 3.4e-14
|
|
169 8.46e-16 8.46e-16
|
|
170 5.77e-22 5.77e-22
|
|
171 3.06e-22 3.06e-22
|
|
172 4.92e-26 4.92e-26
|
|
173 2.85e-26 2.85e-26
|
|
174 1.4e-31 1.4e-31
|
|
175 4.03e-18 4.03e-18
|
|
176 6.74e-36 6.74e-36
|
|
177 1.89e-05 1.89e-05
|
|
178 1.35e-05 1.35e-05
|
|
179 2.65e-05 2.65e-05
|
|
180 1.32e-07 1.32e-07
|
|
181 1.6e-07 1.6e-07
|
|
182 4.99e-06 4.99e-06
|
|
183 2.07e-07 2.07e-07
|
|
184 1.13e-05 1.13e-05
|
|
185 0.000156 0.000156
|
|
186 0.000483 0.000483
|
|
187 2.55e-05 2.55e-05
|
|
188 0.000658 0.000658
|
|
189 3.93e-07 3.93e-07
|
|
190 2.55e-07 2.55e-07
|
|
191 2.28e-06 2.28e-06
|
|
192 2.32e-06 2.32e-06
|
|
193 1.99e-07 1.99e-07
|
|
194 5.15e-08 5.15e-08
|
|
195 5.27e-12 5.27e-12
|
|
196 5.57e-06 5.57e-06
|
|
197 3.69e-07 3.69e-07
|
|
198 1.15e-06 1.15e-06
|
|
199 9.77e-09 9.77e-09
|
|
200 1.27e-07 1.27e-07
|
|
201 4.92e-08 4.92e-08
|
|
202 3.86e-07 3.86e-07
|
|
203 0.000797 0.000797
|
|
204 0.000471 0.000471
|
|
205 7.12e-07 7.12e-07
|
|
206 8.71e-08 8.71e-08
|
|
207 2.44e-07 2.44e-07
|
|
208 1.52e-07 1.52e-07
|
|
209 8.07e-07 8.07e-07
|
|
210 2.05e-21 2.05e-21
|
|
211 0.000301 0.000301
|
|
212 6.65e-06 6.65e-06
|
|
213 4.57e-05 4.57e-05
|
|
214 0.000111 0.000111
|
|
215 5.48e-06 5.48e-06
|
|
216 8.71e-12 8.71e-12
|
|
217 5.24e-11 5.24e-11
|
|
218 1.11e-10 1.11e-10
|
|
219 3.14e-11 3.14e-11
|
|
220 2.15e-11 2.15e-11
|
|
221 1.2e-09 1.2e-09
|
|
222 2.42e-09 2.42e-09
|
|
223 1.48e-09 1.48e-09
|
|
224 3.66e-14 3.66e-14
|
|
225 4.22e-11 4.22e-11
|
|
226 4.86e-10 4.86e-10
|
|
227 7e-10 7e-10
|
|
228 3.44e-10 3.44e-10
|
|
229 5.22e-14 5.22e-14
|
|
230 1.29e-10 1.29e-10
|
|
231 3.22e-11 3.22e-11
|
|
232 4.96e-11 4.96e-11
|
|
233 1.08e-10 1.08e-10
|
|
234 1.25e-11 1.25e-11
|
|
235 2.52e-12 2.52e-12
|
|
236 1.16e-13 1.16e-13
|
|
237 1.08e-20 1.08e-20
|
|
238 1.26e-16 1.26e-16
|
|
239 2.52e-16 2.52e-16
|
|
240 2.6e-17 2.6e-17
|
|
241 9.81e-21 9.81e-21
|
|
242 4.55e-23 4.55e-23
|
|
243 5.53e-15 5.53e-15
|
|
244 8.44e-15 8.44e-15
|
|
245 1.44e-15 1.44e-15
|
|
246 5.7e-16 5.7e-16
|
|
247 8.66e-16 8.66e-16
|
|
248 5.05e-16 5.05e-16
|
|
249 1.07e-16 1.07e-16
|
|
250 1.85e-16 1.85e-16
|
|
251 2.96e-17 2.96e-17
|
|
252 6.28e-18 6.28e-18
|
|
253 1.09e-17 1.09e-17
|
|
254 6.41e-17 6.41e-17
|
|
255 3.37e-18 3.37e-18
|
|
256 3.36e-20 3.36e-20
|
|
257 3.06e-21 3.06e-21
|
|
258 7.5e-19 7.5e-19
|
|
259 2.12e-19 2.12e-19
|
|
260 1.34e-19 1.34e-19
|
|
261 8.17e-10 8.17e-10
|
|
262 1.22e-12 1.22e-12
|
|
263 2.05e-09 2.05e-09
|
|
264 4.49e-09 4.49e-09
|
|
265 1.11e-09 1.11e-09
|
|
266 1.96e-08 1.96e-08
|
|
267 1.96e-09 1.96e-09
|
|
268 3.59e-10 3.59e-10
|
|
269 1.1e-15 1.1e-15
|
|
270 1.35e-16 1.35e-16
|
|
271 5.56e-17 5.56e-17
|
|
272 1.62e-10 1.62e-10
|
|
273 3.44e-18 3.44e-18
|
|
274 9.23e-20 9.23e-20
|
|
275 2.1e-20 2.1e-20
|
|
276 4.14e-08 4.14e-08
|
|
277 8.47e-07 8.47e-07
|
|
278 5.3e-08 5.3e-08
|
|
279 1.2e-06 1.2e-06
|
|
280 5.9e-15 5.9e-15
|
|
281 5.82e-13 5.82e-13
|
|
282 5.5e-06 5.5e-06
|
|
284 1.12e-26 1.12e-26
|
|
285 1.09e-30 1.09e-30
|
|
286 0.00701 0.00701
|
|
288 3.07e-18 3.07e-18
|
|
290 6.05e-16 6.05e-16
|
|
293 1.68e-25 1.68e-25
|
|
294 2.08e-26 2.08e-26
|
|
295 7.82e-26 7.82e-26
|
|
298 1.57e-25 1.57e-25
|
|
303 2.86e-21 2.86e-21
|
|
307 2.32e-24 2.32e-24
|
|
308 1.16e-24 1.16e-24
|
|
309 1.68e-23 1.68e-23
|
|
310 4.21e-23 4.21e-23
|
|
311 2.56e-47 2.56e-47
|
|
312 3.07e-48 3.07e-48
|
|
313 3.1e-48 3.1e-48
|
|
314 1.27e-47 1.27e-47
|
|
315 5.4e-53 5.4e-53
|
|
316 2.67e-64 2.67e-64
|
|
317 1.59e-45 1.59e-45
|
|
318 6.84e-47 6.84e-47
|
|
319 8.02e-51 8.02e-51
|
|
320 4.24e-47 4.24e-47
|
|
321 1.98e-46 1.98e-46
|
|
322 4.98e-52 4.98e-52
|
|
324 2.75e-62 2.75e-62
|