Accuracy

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133 14 Bromomethane - formaldehyde

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###  |  |
# | Species | Formula
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 |
140 | 29 Trifluorobromomethane - benzene | C7H6F3Br |
141 | 30 Trifluoroiodomethane - benzene | C7H6F3I |
142 | 31 Trifluoromethanol - water | CH3O2F3 |
143 | 32 Trichloromethanol - water | CH3O2Cl3 |

ΔHf: -1.6 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    14 Bromomethane - formaldehyde
     H=-1.564+"14 Bromomethane - formaldehyde separated.mop" HR=CCSDT HWT=5
      C     0.08157755 +0  -0.07957697 +0  -0.12224851 +0
     Br     1.79654832 +1   0.39712850 +0   0.62967901 +0
      H     0.01325552 +0  -1.16001615 +1  -0.15677981 +0
      H    -0.69226729 +0   0.33140289 +0   0.51448844 +0
      H     0.01818093 +0   0.33982773 +0  -1.11889558 +0
      O     4.85501254 +0   0.84791587 +0   1.34903304 +0
      C     5.32441412 +0   0.24199925 +0   0.41120144 +0
      H     6.41153467 +0   0.14652425 +0   0.26874794 +0
      H     4.68607097 +0  -0.24173600 +0  -0.34283379 +0