Accuracy

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142 31 Trifluoromethanol - water

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###  |  |
# | Species | Formula
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 |
147 | 36 HI - methanol | CH5OI |
148 | 37 HF - methylamine | CH6NF |
149 | 38 HCl - methylamine | CH6NCl |
150 | 39 methanol - fluoromethane | C2H7OF |
151 | 40 methanol - chloromethane | C2H7OCl |
152 | acetate ... methanol | C3H7O3 |

ΔHf: -9.6 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    31 Trifluoromethanol - water
     H=-9.604+"31 Trifluoromethanol - water separated.mop" HR=CCSDT HWT=5
      O    -0.82258965 +0   0.13075199 +0  -0.00467018 +0
      H     0.15132298 +1   0.23694667 +0  -0.00520847 +0
      C    -1.09449506 +0  -1.17158663 +1  -0.00023581 +0
      F    -2.40836001 +0  -1.34804680 +0   0.00236213 +0
      F    -0.59096847 +0  -1.81204568 +0  -1.07439084 +0
      F    -0.58752505 +0  -1.80532278 +0   1.07631647 +0
      O     1.90289275 +0   0.32131796 +0  -0.00588890 +0
      H     2.35757094 +0  -0.04982421 +0  -0.76581910 +0
      H     2.35757804 +0  -0.05079404 +0   0.75356697 +0