Accuracy

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134 15 Iodomethane - formaldehyde

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###  |  |
# | Species | Formula
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 |
144 | 33 HF - methanol | CH5OF |

ΔHf: -2.6 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    15 Iodomethane - formaldehyde
     H=-2.562+"15 Iodomethane - formaldehyde separated.mop" HR=CCSDT HWT=5
      C    -0.09550128 +0  -0.09113303 +0  -0.14131571 +0
      I     1.83039588 +1   0.39697784 +0   0.61516520 +0
      H    -0.17939771 +0  -1.16991169 +1  -0.18433642 +0
      H    -0.83628984 +0   0.32384116 +0   0.53085458 +0
      H    -0.19125959 +0   0.34077195 +0  -1.12975727 +0
      O     4.92973802 +0   0.84094457 +0   1.31541948 +0
      C     5.50561950 +0   0.25042110 +0   0.42780134 +0
      H     6.60373294 +0   0.21058267 +0   0.37717269 +0
      H     4.95710389 +0  -0.27349544 +0  -0.36906131 +0