Accuracy

14 Bromomethane - formaldehyde    133 14 Bromomethane - formaldehyde

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    #  Species Formula
   123 04 Methane - I2CH4I2
   124 05 Fluoromethane - methaneC2H7F
   125 06 Chloromethane - methaneC2H7Cl
   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 - formaldehyde C2H5OBr
   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 - trimethylamineC9H14NBr
   143 24 Iodobenzenezene - trimethylamineC9H14NI


ΔHf: -1.6 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
14 Bromomethane - formaldehyde
 H=-1.564+"14 Bromomethane - formaldehyde separated.mop" HR=CCSDT HWT=5
  C     0.08157755 +0  -0.07957697 +0  -0.12224851 +0
 Br     1.79654832 +1   0.39712850 +0   0.62967901 +0
  H     0.01325552 +0  -1.16001615 +1  -0.15677981 +0
  H    -0.69226729 +0   0.33140289 +0   0.51448844 +0
  H     0.01818093 +0   0.33982773 +0  -1.11889558 +0
  O     4.85501254 +0   0.84791587 +0   1.34903304 +0
  C     5.32441412 +0   0.24199925 +0   0.41120144 +0
  H     6.41153467 +0   0.14652425 +0   0.26874794 +0
  H     4.68607097 +0  -0.24173600 +0  -0.34283379 +0