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21 Iodobenzenezene - acetone    140 21 Iodobenzenezene - acetone

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    #  Species Formula
   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 - acetoneC9H11OCl
   139 20 Bromobenzenezene - acetoneC9H11OBr
   140 21 Iodobenzenezene - acetone C9H11OI
   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
   149 30 Trifluoroiodomethane - benzeneC7H6F3I
   150 31 Trifluoromethanol - waterCH3O2F3


ΔHf: -3.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
21 Iodobenzenezene - acetone
 H=-3.756+"21 Iodobenzenezene - acetone separated.mop" HR=CCSDT HWT=5
  C    -0.43601987 +0  -0.00000150 +0   1.03540729 +0
  C     0.58976221 +1  -0.00001321 +0   1.97850006 +0
  C     1.92224731 +0  -0.00000620 +1   1.57169559 +0
  C     2.22826603 +0  -0.00002197 +0   0.21256912 +0
  C     1.21108714 +0  -0.00000641 +0  -0.74015358 +0
  H    -1.46924203 +0  -0.00000195 +0   1.35222461 +0
  H     0.34310109 +0  -0.00000843 +0   3.03162968 +0
  H     2.71469423 +0   0.00001150 +0   2.30703292 +0
  H     3.26026140 +0  -0.00002655 +0  -0.11155152 +0
  H     1.45070781 +0  -0.00001011 +0  -1.79398552 +0
  C    -0.12040282 +0   0.00002212 +0  -0.32357594 +0
  I    -1.65822410 +0   0.00022120 +0  -1.73801997 +0
  O    -3.94993992 +0  -0.00014345 +0  -3.81589691 +0
  C    -3.80061831 +0   0.00377150 +0  -5.02581159 +0
  C    -2.41374687 +0   0.01392866 +0  -5.62884085 +0
  C    -5.00409197 +0  -0.00151565 +0  -5.94221512 +0
  H    -1.88103809 +0   0.89133045 +0  -5.26547222 +0
  H    -1.87007825 +0  -0.85848332 +0  -5.26971230 +0
  H    -2.42067772 +0   0.01652053 +0  -6.71412314 +0
  H    -5.61626986 +0   0.87012827 +0  -5.71741147 +0
  H    -5.60537140 +0  -0.88176795 +0  -5.72158317 +0
  H    -4.74004723 +0   0.00263919 +0  -6.99488252 +0