Accuracy

40 methanol - chloromethane    159 40 methanol - chloromethane

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

    

    #  Species Formula
   149 30 Trifluoroiodomethane - benzeneC7H6F3I
   150 31 Trifluoromethanol - waterCH3O2F3
   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 - chloromethane C2H7OCl
   160 rep739sys001g03pt100abH4
   161 rep739sys001g05pt100abC2H4
   162 rep739sys001g06pt100abC4H4
   163 rep739sys001g08pt100abH3F
   164 rep739sys001g09pt100abC2H3F
   165 rep739sys001g10pt100abH2F2
   166 rep739sys001g12pt100abCH6
   167 rep739sys001g13pt100abC3H6
   168 rep739sys001g14pt100abCH5F
   169 rep739sys001g15pt100abC2H8


ΔHf: -3.7 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
40 methanol - chloromethane
 H=-3.656+"40 methanol - chloromethane separated.mop" HR=CCSDT HWT=5
  H     1.10137115 +0  -0.00011774 +0  -0.58777100 +0
  O     0.39709023 +1  -0.00002755 +0   0.06786653 +0
  C     1.00582929 +0   0.00001333 +1   1.34793065 +0
  H     0.20500361 +0  -0.00000043 +0   2.08129703 +0
  H     1.62018068 +0  -0.88668581 +0   1.51449609 +0
  H     1.62012783 +0   0.88675614 +0   1.51447049 +0
 Cl     1.53475570 +0  -0.00000028 +0  -3.01497371 +0
  C    -0.25034318 +0   0.00001172 +0  -3.02605665 +0
  H    -0.58014338 +0   0.00001813 +0  -4.05768567 +0
  H    -0.59236728 +0  -0.88705606 +0  -2.50811464 +0
  H    -0.59235748 +0   0.88707734 +0  -2.50810510 +0