Accuracy

07 Trifluoromethane - methane    126 07 Trifluoromethane - methane

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    #  Species Formula
   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 - methaneC2H7F
   125 06 Chloromethane - methaneC2H7Cl
   126 07 Trifluoromethane - methane C2H5F3
   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
   135 16 Trifluorochloromethane - formaldehydeC2H2OF3Cl
   136 17 Trifluorobromomethane - formaldehydeC2H2OF3Br


ΔHf: -0.4 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
07 Trifluoromethane - methane
 H=-0.353+"07 Trifluoromethane - methane separated.mop" HR=CCSDT HWT=5
  C     0.00002341 +0   0.00010576 +0   2.05328573 +0
  F    -1.08252671 +1   0.62533990 +0   1.58981697 +0
  F     1.08262768 +0   0.62523776 +1   1.58992225 +0
  F    -0.00002386 +0  -1.24982023 +0   1.58926475 +0
  H    -0.00004196 +0  -0.00028006 +0   3.13809207 +0
  C    -0.00001006 +0  -0.00008257 +0  -1.74309144 +0
  H    -0.00000361 +0   0.00010600 +0  -2.82861936 +0
  H    -0.88565854 +0  -0.51160058 +0  -1.37981131 +0
  H     0.88572751 +0  -0.51144556 +0  -1.37980094 +0
  H    -0.00010144 +0   1.02255088 +0  -1.37952540 +0