Accuracy

17 Trifluorobromomethane - formaldehyde    136 17 Trifluorobromomethane - formaldehyde

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    #  Species Formula
   126 07 Trifluoromethane - methaneC2H5F3
   127 08 Trichloromethane - methaneC2H5Cl3
   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 - formaldehyde C2H2OF3Br
   137 18 Trifluoroiodomethane - formaldehydeC2H2OF3I
   138 19 Chlorobenzenezene - acetoneC9H11OCl
   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


ΔHf: -2.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
17 Trifluorobromomethane - formaldehyde
 H=-2.774+"17 Trifluorobromomethane - formaldehyde separated.mop" HR=CCSDT HWT=5
  C     0.09234842 +0  -0.04789944 +0  -0.08418061 +0
 Br     1.85029517 +1   0.40175660 +0   0.54121537 +0
  F    -0.04124842 +0  -1.36523157 +1  -0.18683444 +0
  F    -0.83012220 +0   0.40346531 +0   0.75615472 +0
  F    -0.12768504 +0   0.48960658 +0  -1.27831304 +0
  O     4.69557804 +0   0.84506512 +0   1.19177304 +0
  C     5.38515840 +0   0.22624443 +0   0.41043789 +0
  H     6.48274233 +0   0.24413045 +0   0.46834871 +0
  H     4.94582145 +0  -0.38268058 +0  -0.39369260 +0