Accuracy

31 Trifluoromethanol - water    150 31 Trifluoromethanol - water

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    #  Species Formula
   140 21 Iodobenzenezene - acetoneC9H11OI
   141 22 Chlorobenzenezene - trimethylamineC9H14NCl
   142 23 Bromobenzenezene - trimethylamineC9H14NBr
   143 24 Iodobenzenezene - trimethylamineC9H14NI
   144 25 Bromobenzenezene - methanethiolC7H9SBr
   145 26 Iodobenzenezene - methanethiolC7H9SI
   146 27 Bromomethane - benzeneC7H9Br
   147 28 Iodomethane - benzeneC7H9I
   148 29 Trifluorobromomethane - benzeneC7H6F3Br
   149 30 Trifluoroiodomethane - benzeneC7H6F3I
   150 31 Trifluoromethanol - water CH3O2F3
   151 32 Trichloromethanol - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl
   154 35 HBr - methanolCH5OBr
   155 36 HI - methanolCH5OI
   156 37 HF - methylamineCH6NF
   157 38 HCl - methylamineCH6NCl
   158 39 methanol - fluoromethaneC2H7OF
   159 40 methanol - chloromethaneC2H7OCl
   160 acetate ... methanolC3H7O3


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