Accuracy

28 Iodomethane - benzene    147 28 Iodomethane - benzene

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    #  Species Formula
   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
   147 28 Iodomethane - benzene C7H9I
   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
   156 37 HF - methylamineCH6NF
   157 38 HCl - methylamineCH6NCl


ΔHf: -3.1 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
28 Iodomethane - benzene
 H=-3.108+"28 Iodomethane - benzene separated.mop" HR=CCSDT HWT=5
  H     0.02210667 +0   0.33772004 +0   0.04430538 +0
  C     0.02691935 +1   0.29715726 +0   1.12779324 +0
  C     1.23242001 +0   0.37428537 +1   1.82320650 +0
  C     1.23850540 +0   0.31830385 +0   3.21563623 +0
  C     0.03944751 +0   0.18454097 +0   3.91325517 +0
  C    -1.16621996 +0   0.10711348 +0   3.21862915 +0
  C    -1.17298004 +0   0.16391340 +0   1.82551469 +0
  H     2.16553244 +0   0.47431607 +0   1.28031013 +0
  H     2.17662936 +0   0.37513115 +0   3.75617508 +0
  H     0.04471698 +0   0.13704066 +0   4.99638056 +0
  H    -2.09886160 +0  -0.00056286 +0   3.76094712 +0
  H    -2.11070311 +0   0.10160464 +0   1.28461011 +0
  I    -0.20532441 +0  -3.36851831 +0   1.88376873 +0
  C     0.06919685 +0  -5.47192901 +0   1.87274922 +0
  H     0.07360107 +0  -5.80563632 +0   0.83982588 +0
  H     1.01804866 +0  -5.68986069 +0   2.35291716 +0
  H    -0.75287440 +0  -5.92202465 +0   2.42041290 +0