Accuracy

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136 17 Trifluorobromomethane - formaldehyde

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###  |  |
# | Species | Formula
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 |
140 | 29 Trifluorobromomethane - benzene | C7H6F3Br |
141 | 30 Trifluoroiodomethane - benzene | C7H6F3I |
142 | 31 Trifluoromethanol - water | CH3O2F3 |
143 | 32 Trichloromethanol - water | CH3O2Cl3 |
144 | 33 HF - methanol | CH5OF |
145 | 34 HCl - methanol | CH5OCl |
146 | 35 HBr - methanol | CH5OBr |

ΔHf: -2.8 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    17 Trifluorobromomethane - formaldehyde
     H=-2.774+"17 Trifluorobromomethane - formaldehyde separated.mop" HR=CCSDT HWT=5
      C     0.09234842 +0  -0.04789944 +0  -0.08418061 +0
     Br     1.85029517 +1   0.40175660 +0   0.54121537 +0
      F    -0.04124842 +0  -1.36523157 +1  -0.18683444 +0
      F    -0.83012220 +0   0.40346531 +0   0.75615472 +0
      F    -0.12768504 +0   0.48960658 +0  -1.27831304 +0
      O     4.69557804 +0   0.84506512 +0   1.19177304 +0
      C     5.38515840 +0   0.22624443 +0   0.41043789 +0
      H     6.48274233 +0   0.24413045 +0   0.46834871 +0
      H     4.94582145 +0  -0.38268058 +0  -0.39369260 +0