Accuracy

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147 36 HI - methanol

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###  |  |
# | Species | Formula
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 |
153 | acetate ... methylamine | C3H8NO2 |
154 | acetate ... water | C2H5O3 |
155 | guanidinium ... formaldehyde | C2H8N3O |
156 | guanidinium ... methanol | C2H10N3O |
157 | guanidinium ... methylamine | C2H11N4 |

ΔHf: -4.1 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)

     0SCF HTML
    36 HI - methanol
     H=-4.114+"36 HI - methanol separated.mop" HR=CCSDT HWT=5
      I     0.49436076 +0   0.00013673 +0  -0.29918615 +0
      H    -0.02681845 +1   0.00000982 +0   1.22777972 +0
      O    -0.30402627 +0  -0.00020991 +1   3.24054165 +0
      H    -1.06167171 +0   0.00003413 +0   3.83019664 +0
      C     0.87760517 +0  -0.00002964 +0   4.03349751 +0
      H     1.71561556 +0  -0.00013105 +0   3.34328351 +0
      H     0.94684111 +0   0.88889343 +0   4.66026337 +0
      H     0.94688809 +0  -0.88872339 +0   4.66058358 +0