Accuracy

15 Iodomethane - formaldehyde    134 15 Iodomethane - formaldehyde

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    #  Species Formula
   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 - formaldehydeC2H5OBr
   134 15 Iodomethane - formaldehyde C2H5OI
   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
   144 25 Bromobenzenezene - methanethiolC7H9SBr


ΔHf: -2.6 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
15 Iodomethane - formaldehyde
 H=-2.562+"15 Iodomethane - formaldehyde separated.mop" HR=CCSDT HWT=5
  C    -0.09550128 +0  -0.09113303 +0  -0.14131571 +0
  I     1.83039588 +1   0.39697784 +0   0.61516520 +0
  H    -0.17939771 +0  -1.16991169 +1  -0.18433642 +0
  H    -0.83628984 +0   0.32384116 +0   0.53085458 +0
  H    -0.19125959 +0   0.34077195 +0  -1.12975727 +0
  O     4.92973802 +0   0.84094457 +0   1.31541948 +0
  C     5.50561950 +0   0.25042110 +0   0.42780134 +0
  H     6.60373294 +0   0.21058267 +0   0.37717269 +0
  H     4.95710389 +0  -0.27349544 +0  -0.36906131 +0