Accuracy

10 Chloromethane dimer    129 10 Chloromethane dimer

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    #  Species Formula
   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 dimerC2H6F2
   129 10 Chloromethane dimer C2H6Cl2
   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
   139 20 Bromobenzenezene - acetoneC9H11OBr


ΔHf: -1.1 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
10 Chloromethane dimer
 H=-1.117+"10 Chloromethane dimer separated.mop" HR=CCSDT HWT=5
  C     0.30115211 +0  -0.17311810 +0   2.76448043 +0
 Cl    -0.02487083 +1  -0.07758213 +0   1.01716113 +0
  H     1.24750225 +0   0.31460262 +1   2.96465471 +0
  H     0.34613115 +0  -1.21744213 +0   3.04883614 +0
  H    -0.50170902 +0   0.32818553 +0   3.29134515 +0
  C    -0.24821546 +0   0.14756314 +0  -2.35459805 +0
 Cl    -0.43087203 +0   0.26697691 +0  -4.12111099 +0
  H    -1.09721582 +0  -0.39412544 +0  -1.95501821 +0
  H     0.67157831 +0  -0.38155129 +0  -2.13634048 +0
  H    -0.21278879 +0   1.14853880 +0  -1.94170940 +0