Accuracy

09 Fluoromethane dimer    128 09 Fluoromethane dimer

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    #  Species Formula
   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 - methaneC2H5F3
   127 08 Trichloromethane - methaneC2H5Cl3
   128 09 Fluoromethane dimer C2H6F2
   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
   137 18 Trifluoroiodomethane - formaldehydeC2H2OF3I
   138 19 Chlorobenzenezene - acetoneC9H11OCl


ΔHf: -1.2 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
09 Fluoromethane dimer
 H=-1.166+"09 Fluoromethane dimer separated.mop" HR=CCSDT HWT=5
  C     0.25021139 +0  -0.14126128 +0   2.27830595 +0
  F     0.05501557 +1  -0.06068855 +0   0.91153842 +0
  H     1.18931025 +0   0.34297880 +1   2.53127515 +0
  H     0.28289177 +0  -1.18716686 +0   2.57052552 +0
  H    -0.57144360 +0   0.35851350 +0   2.78386401 +0
  C    -0.22299803 +0   0.12506018 +0  -2.03199568 +0
  F    -0.35385422 +0   0.22824263 +0  -3.40533891 +0
  H    -1.07419104 +0  -0.41753760 +0  -1.63122988 +0
  H     0.69408609 +0  -0.40817009 +0  -1.79911580 +0
  H    -0.18719790 +0   1.12079354 +0  -1.59991859 +0