Accuracy

35 HBr - methanol    154 35 HBr - methanol

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

    

    #  Species Formula
   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 - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl
   154 35 HBr - methanol CH5OBr
   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
   162 acetate ... waterC2H5O3
   163 guanidinium ... formaldehydeC2H8N3O
   164 guanidinium ... methanolC2H10N3O


ΔHf: -5.6 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
35 HBr - methanol
 H=-5.601+"35 HBr - methanol separated.mop" HR=CCSDT HWT=5
 Br     0.43075905 +0  -0.00011522 +0  -0.10794561 +0
  H     0.01775041 +1  -0.00001381 +0   1.25996735 +0
  O    -0.25702006 +0   0.00018283 +1   3.14115117 +0
  H    -1.04868069 +0  -0.00004031 +0   3.68401887 +0
  C     0.88052726 +0   0.00002560 +0   3.99748617 +0
  H     1.75383923 +0   0.00009853 +0   3.35302019 +0
  H     0.91354958 +0   0.88891540 +0   4.62670655 +0
  H     0.91350936 +0  -0.88904612 +0   4.62645042 +0