Accuracy

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127 08 Trichloromethane - methane

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###  |  |
# | Species | Formula
117 | 6b PrNH4 CB6 | C39H46N25O12 |
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 |

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