Accuracy

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135 16 Trifluorochloromethane - formaldehyde

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# | Species | Formula
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 |
145 | 34 HCl - methanol | CH5OCl |

ΔHf: -2.0 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    16 Trifluorochloromethane - formaldehyde
     H=-2.008+"16 Trifluorochloromethane - formaldehyde separated.mop" HR=CCSDT HWT=5
      C     0.22808737 +0  -0.00602731 +0  -0.10351202 +0
     Cl     1.80888445 +1   0.63280669 +0   0.29146499 +0
      F     0.33195932 +0  -1.25013250 +1  -0.55549640 +0
      F    -0.55116778 +0  -0.01333945 +0   0.96944621 +0
      F    -0.35092182 +0   0.73333576 +0  -1.03965153 +0
      O     4.68878223 +0   1.19269417 +0   0.78862102 +0
      C     5.23661251 +0   0.16210948 +0   0.46433639 +0
      H     6.32756464 +0   0.03993748 +0   0.52962340 +0
      H     4.66924921 +0  -0.70266568 +0   0.08839293 +0