Accuracy

08 Trichloromethane - methane    127 08 Trichloromethane - methane

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    #  Species Formula
   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 - methaneC2H5F3
   127 08 Trichloromethane - methane C2H5Cl3
   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
   137 18 Trifluoroiodomethane - formaldehydeC2H2OF3I


ΔHf: -1.1 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
08 Trichloromethane - methane
 H=-1.085+"08 Trichloromethane - methane separated.mop" HR=CCSDT HWT=5
  C    -0.00002851 +0  -0.00046193 +0   2.15814902 +0
 Cl    -1.45406373 +1   0.83877730 +0   1.61623501 +0
 Cl     1.45414453 +0   0.83865973 +1   1.61620852 +0
 Cl    -0.00008740 +0  -1.67979503 +0   1.61780294 +0
  H     0.00000570 +0   0.00026733 +0   3.23930595 +0
  C    -0.00002310 +0   0.00046192 +0  -1.90030497 +0
  H     0.00002459 +0  -0.00140709 +0  -2.98606103 +0
  H    -0.88550028 +0  -0.51027209 +0  -1.53517345 +0
  H     0.88562334 +0  -0.51012180 +0  -1.53513702 +0
  H    -0.00009324 +0   1.02363831 +0  -1.53779277 +0