Accuracy

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129 10 Chloromethane dimer

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###  |  |
# | Species | Formula
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 |
139 | 28 Iodomethane - benzene | C7H9I |

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