Accuracy

05 Fluoromethane - methane    124 05 Fluoromethane - methane

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    #  Species Formula
   114 5a GLH mcyleC62H68N8O6
   115 5b BQ mcyleC64H66N6O6
   116 6a BuNH4 CB6C40H48N25O12
   117 6b PrNH4 CB6C39H46N25O12
   118 7a FECP CB7C60H72N30O14Fe
   119 7b ADOH CB7C52H58N28O15
   120 01 Methane - F2CH4F2
   121 02 Methane - Cl2CH4Cl2
   122 03 Methane - Br2CH4Br2
   123 04 Methane - I2CH4I2
   124 05 Fluoromethane - methane C2H7F
   125 06 Chloromethane - methaneC2H7Cl
   126 07 Trifluoromethane - methaneC2H5F3
   127 08 Trichloromethane - methaneC2H5Cl3
   128 09 Fluoromethane dimerC2H6F2
   129 10 Chloromethane dimerC2H6Cl2
   130 11 Trifluorobenzene - benzeneC12H9F3
   131 12 Hexafluorobenzene - benzeneC12H6F6
   132 13 Chloromethane - formaldehydeC2H5OCl
   133 14 Bromomethane - formaldehydeC2H5OBr
   134 15 Iodomethane - formaldehydeC2H5OI


ΔHf: -0.6 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
05 Fluoromethane - methane
 H=-0.585+"05 Fluoromethane - methane separated.mop" HR=CCSDT HWT=5
  C     0.00591865 +0  -0.00349653 +0   1.85387899 +0
  F    -1.17254286 +1   0.67481757 +0   1.61458749 +0
  H     0.83070984 +0   0.54604829 +1   1.40796279 +0
  H    -0.05605804 +0  -0.99374782 +0   1.41035538 +0
  H     0.15607804 +0  -0.08832874 +0   2.92706906 +0
  C     0.01712868 +0  -0.00976748 +0  -1.68030394 +0
  H    -0.06324162 +0   0.03566845 +0  -2.76180385 +0
  H    -0.84168693 +0  -0.53473617 +0  -1.27426767 +0
  H     0.92786993 +0  -0.53537776 +0  -1.40943141 +0
  H     0.04273023 +0   0.99699675 +0  -1.27564063 +0