Accuracy

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128 09 Fluoromethane dimer

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###  |  |
# | Species | Formula
118 | 7a FECP CB7 | C60H72N30O14Fe |
119 | 7b ADOH CB7 | C52H58N28O15 |
120 | 01 Methane - F2 | CH4F2 |
121 | 02 Methane - Cl2 | CH4Cl2 |
122 | 03 Methane - Br2 | CH4Br2 |
123 | 04 Methane - I2 | CH4I2 |
124 | 05 Fluoromethane - methane | C2H7F |
125 | 06 Chloromethane - methane | C2H7Cl |
126 | 07 Trifluoromethane - methane | C2H5F3 |
127 | 08 Trichloromethane - methane | C2H5Cl3 |
128 | 09 Fluoromethane dimer | C2H6F2 |
129 | 10 Chloromethane dimer | C2H6Cl2 |
130 | 11 Trifluorobenzene - benzene | C12H9F3 |
131 | 12 Hexafluorobenzene - benzene | C12H6F6 |
132 | 13 Chloromethane - formaldehyde | C2H5OCl |
133 | 14 Bromomethane - formaldehyde | C2H5OBr |
134 | 15 Iodomethane - formaldehyde | C2H5OI |
135 | 16 Trifluorochloromethane - formaldehyde | C2H2OF3Cl |
136 | 17 Trifluorobromomethane - formaldehyde | C2H2OF3Br |
137 | 18 Trifluoroiodomethane - formaldehyde | C2H2OF3I |
138 | 27 Bromomethane - benzene | C7H9Br |

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