Accuracy

26 Iodobenzenezene - methanethiol    145 26 Iodobenzenezene - methanethiol

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    #  Species Formula
   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
   145 26 Iodobenzenezene - methanethiol C7H9SI
   146 27 Bromomethane - benzeneC7H9Br
   147 28 Iodomethane - benzeneC7H9I
   148 29 Trifluorobromomethane - benzeneC7H6F3Br
   149 30 Trifluoroiodomethane - benzeneC7H6F3I
   150 31 Trifluoromethanol - waterCH3O2F3
   151 32 Trichloromethanol - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl
   154 35 HBr - methanolCH5OBr
   155 36 HI - methanolCH5OI


ΔHf: -3.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
26 Iodobenzenezene - methanethiol
 H=-3.798+"26 Iodobenzenezene - methanethiol separated.mop" HR=CCSDT HWT=5
  C    -0.75542253 +0  -0.79645912 +0  -1.02359039 +0
  C     0.63427483 +1  -0.88001701 +0  -1.07523328 +0
  C     1.40695520 +0   0.19969537 +1  -0.65314433 +0
  C     0.79886374 +0   1.36120452 +0  -0.18059791 +0
  C    -0.59316679 +0   1.43431202 +0  -0.13359792 +0
  C    -1.37623920 +0   0.35920522 +0  -0.55325852 +0
  I    -1.51434424 +0   3.17326810 +0   0.57360111 +0
  H     1.11090695 +0  -1.77880173 +0  -1.44061984 +0
  H     1.39917230 +0   2.19776735 +0   0.14741275 +0
  H     2.48641778 +0   0.14246653 +0  -0.68938057 +0
  H    -2.45425225 +0   0.42258112 +0  -0.51280796 +0
  H    -1.36235359 +0  -1.63056452 +0  -1.34874315 +0
  S    -3.11268320 +0   6.28922783 +0   1.22698444 +0
  H    -4.32878970 +0   5.79777125 +0   0.97337309 +0
  C    -2.68913503 +0   6.70316383 +0  -0.48906289 +0
  H    -1.68443303 +0   7.11545737 +0  -0.46026571 +0
  H    -2.68386721 +0   5.81653050 +0  -1.11518377 +0
  H    -3.36533061 +0   7.45120141 +0  -0.89009889 +0