Accuracy

22 Chlorobenzenezene - trimethylamine    141 22 Chlorobenzenezene - trimethylamine

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    #  Species Formula
   131 12 Hexafluorobenzene - benzeneC12H6F6
   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 - trimethylamine C9H14NCl
   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 - waterCH3O2Cl3


ΔHf: -2.3 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
22 Chlorobenzenezene - trimethylamine
 H=-2.345+"22 Chlorobenzenezene - trimethylamine separated.mop" HR=CCSDT HWT=5
  C    -0.23516402 +0   0.00208609 +0   0.13275518 +0
  C    -0.23817760 +1   0.00118928 +0   1.52560369 +0
  C     0.95584575 +0  -0.00213789 +1   2.24272320 +0
  C     2.16545671 +0  -0.00462514 +0   1.55225177 +0
  C     2.18287704 +0  -0.00379148 +0   0.15897686 +0
  C     0.98104502 +0  -0.00042608 +0  -0.54603857 +0
 Cl    -1.74895513 +0   0.00426049 +0   2.37848355 +0
  H     0.93082256 +0  -0.00276333 +0   3.32293354 +0
  H     3.09365255 +0  -0.00721746 +0   2.10716225 +0
  H     3.12411266 +0  -0.00574579 +0  -0.37231310 +0
  H     0.98559253 +0   0.00025353 +0  -1.62746679 +0
  H    -1.17288026 +0   0.00469975 +0  -0.40401829 +0
  N    -4.40362786 +0   0.00335603 +0   3.89434964 +0
  C    -5.23171764 +0  -1.07421379 +0   3.38878517 +0
  C    -4.11402815 +0  -0.20313134 +0   5.30001481 +0
  C    -5.06499988 +0   1.27902045 +0   3.69996778 +0
  H    -5.02724095 +0  -0.22006000 +0   5.91698102 +0
  H    -3.59399823 +0  -1.15052081 +0   5.43239566 +0
  H    -3.47036341 +0   0.59629826 +0   5.66350960 +0
  H    -6.02650292 +0   1.33744172 +0   4.23567427 +0
  H    -4.42418820 +0   2.08313245 +0   4.05800835 +0
  H    -5.25410278 +0   1.43669671 +0   2.63938077 +0
  H    -6.20167600 +0  -1.13541152 +0   3.90871123 +0
  H    -5.42151122 +0  -0.92431343 +0   2.32718208 +0
  H    -4.71515597 +0  -2.02433041 +0   3.51479311 +0