Accuracy

23 Bromobenzenezene - trimethylamine    142 23 Bromobenzenezene - trimethylamine

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    #  Species Formula
   132 13 Chloromethane - formaldehydeC2H5OCl
   133 14 Bromomethane - formaldehydeC2H5OBr
   134 15 Iodomethane - formaldehydeC2H5OI
   135 16 Trifluorochloromethane - formaldehydeC2H2OF3Cl
   136 17 Trifluorobromomethane - formaldehydeC2H2OF3Br
   137 18 Trifluoroiodomethane - formaldehydeC2H2OF3I
   138 19 Chlorobenzenezene - acetoneC9H11OCl
   139 20 Bromobenzenezene - acetoneC9H11OBr
   140 21 Iodobenzenezene - acetoneC9H11OI
   141 22 Chlorobenzenezene - trimethylamineC9H14NCl
   142 23 Bromobenzenezene - trimethylamine C9H14NBr
   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 - waterCH3O2Cl3
   152 33 HF - methanolCH5OF


ΔHf: -4.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
23 Bromobenzenezene - trimethylamine
 H=-3.997+"23 Bromobenzenezene - trimethylamine separated.mop" HR=CCSDT HWT=5
  C    -0.22391300 +0   0.00210900 +0   0.12740400 +0
  C    -0.22955400 +1   0.00126500 +0   1.52057200 +0
  C     0.96606600 +0  -0.00210000 +1   2.23572900 +0
  C     2.17641700 +0  -0.00463600 +0   1.54588800 +0
  C     2.19409500 +0  -0.00381800 +0   0.15262300 +0
  C     0.99217900 +0  -0.00044900 +0  -0.55227400 +0
 Br    -1.86923700 +0   0.00466900 +0   2.44618600 +0
  H     0.94653400 +0  -0.00273400 +0   3.31625200 +0
  H     3.10476000 +0  -0.00724800 +0   2.10080400 +0
  H     3.13546300 +0  -0.00578900 +0  -0.37870600 +0
  H     0.99688000 +0   0.00020500 +0  -1.63381700 +0
  H    -1.15902900 +0   0.00471500 +0  -0.41430300 +0
  N    -4.44384722 +0   0.00324132 +0   3.91757514 +0
  C    -5.26966722 +0  -1.07548368 +0   3.40942014 +0
  C    -4.15104822 +0  -0.20341668 +0   5.32303714 +0
  C    -5.10263122 +0   1.28042632 +0   3.72089214 +0
  H    -5.06216322 +0  -0.22069968 +0   5.94192514 +0
  H    -3.62955622 +0  -1.15034068 +0   5.45317914 +0
  H    -3.50590522 +0   0.59592432 +0   5.68417314 +0
  H    -6.06404922 +0   1.34171132 +0   4.25512314 +0
  H    -4.45957022 +0   2.08322132 +0   4.07792314 +0
  H    -5.28911022 +0   1.43692732 +0   2.65964414 +0
  H    -6.23989922 +0  -1.13894168 +0   3.92720114 +0
  H    -5.45667522 +0  -0.92467168 +0   2.34742914 +0
  H    -4.75074322 +0  -2.02442868 +0   3.53475414 +0