Accuracy

32 Trichloromethanol - water    151 32 Trichloromethanol - water

(Previous)     (Back)     (Next)         Geometry from the BEGDB - the Benchmark Energy and Geometry Database

   

    #  Species Formula
   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 - waterCH3O2F3
   151 32 Trichloromethanol - water CH3O2Cl3
   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
   161 acetate ... methylamineC3H8NO2


ΔHf: -10.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
32 Trichloromethanol - water
 H=-10.807+"32 Trichloromethanol - water separated.mop" HR=CCSDT HWT=5
  O    -0.77807363 +0   0.20593757 +0  -0.00374417 +0
  H     0.20462177 +1   0.30615004 +0  -0.00525025 +0
  C    -1.06467304 +0  -1.09986527 +1  -0.00003763 +0
 Cl    -2.81814972 +0  -1.28807313 +0   0.00234012 +0
 Cl    -0.38855479 +0  -1.94614075 +0  -1.44742276 +0
 Cl    -0.38546111 +0  -1.93861252 +0   1.45029919 +0
  O     1.94979479 +0   0.37773588 +0  -0.00723078 +0
  H     2.32004142 +0  -0.08231612 +0  -0.76547638 +0
  H     2.32104811 +0  -0.07913593 +0   0.75248655 +0