Accuracy

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132 13 Chloromethane - formaldehyde

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

ΔHf: -1.0 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    13 Chloromethane - formaldehyde
     H=-1.027+"13 Chloromethane - formaldehyde separated.mop" HR=CCSDT HWT=5
      C     0.17981035 +0  -0.07719755 +0  -0.11802464 +0
     Cl     1.72267948 +1   0.39903125 +0   0.62807610 +0
      H     0.13036070 +0  -1.15907600 +1  -0.15509651 +0
      H    -0.63047719 +0   0.31433874 +0   0.48550704 +0
      H     0.13495916 +0   0.33574818 +0  -1.11888800 +0
      O     4.89750547 +0   0.87684880 +0   1.39021621 +0
      C     5.19446014 +0   0.23830708 +0   0.40515676 +0
      H     6.24419638 +0   0.05449610 +0   0.12836350 +0
      H     4.43008567 +0  -0.18868032 +0  -0.26018367 +0