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19 Chlorobenzenezene - acetone    138 19 Chlorobenzenezene - acetone

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    #  Species Formula
   128 09 Fluoromethane dimerC2H6F2
   129 10 Chloromethane dimerC2H6Cl2
   130 11 Trifluorobenzene - benzeneC12H9F3
   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 - acetone C9H11OCl
   139 20 Bromobenzenezene - acetoneC9H11OBr
   140 21 Iodobenzenezene - acetoneC9H11OI
   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


ΔHf: -1.3 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
19 Chlorobenzenezene - acetone
 H=-1.313+"19 Chlorobenzenezene - acetone separated.mop" HR=CCSDT HWT=5
  C    -0.45374374 +0   0.00018274 +0   1.05920033 +0
  C     0.58399457 +1  -0.00002840 +0   1.98824481 +0
  C     1.91112381 +0  -0.00014276 +1   1.56395177 +0
  C     2.20001546 +0  -0.00006095 +0   0.20085714 +0
  C     1.17185256 +0   0.00015169 +0  -0.73846675 +0
  H    -1.48627632 +0   0.00026898 +0   1.37724060 +0
  H     0.35131942 +0  -0.00010314 +0   3.04429102 +0
  H     2.71283044 +0  -0.00029039 +0   2.28883776 +0
  H     3.22723808 +0  -0.00016286 +0  -0.13688726 +0
  H     1.38327470 +0   0.00021489 +0  -1.79790563 +0
  C    -0.14984146 +0   0.00028101 +0  -0.29979984 +0
 Cl    -1.43228839 +0   0.00055970 +0  -1.46641498 +0
  O    -3.69657291 +0   0.00015299 +0  -3.61861755 +0
  C    -4.84398976 +0   0.00194416 +0  -3.21141545 +0
  C    -6.00309757 +0  -0.00055235 +0  -4.18587696 +0
  C    -5.13220612 +0   0.00667120 +0  -1.72526393 +0
  H    -5.91776328 +0   0.87330307 +0  -4.82939392 +0
  H    -5.91884559 +0  -0.87869898 +0  -4.82365326 +0
  H    -6.97322494 +0   0.00163777 +0  -3.69903266 +0
  H    -6.19307044 +0   0.00805525 +0  -1.49529258 +0
  H    -4.66254021 +0  -0.86711611 +0  -1.27680105 +0
  H    -4.66140782 +0   0.88256913 +0  -1.28215677 +0