Accuracy

24 Iodobenzenezene - trimethylamine    143 24 Iodobenzenezene - trimethylamine

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    #  Species Formula
   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 - acetoneC9H11OI
   141 22 Chlorobenzenezene - trimethylamineC9H14NCl
   142 23 Bromobenzenezene - trimethylamineC9H14NBr
   143 24 Iodobenzenezene - trimethylamine C9H14NI
   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
   151 32 Trichloromethanol - waterCH3O2Cl3
   152 33 HF - methanolCH5OF
   153 34 HCl - methanolCH5OCl


ΔHf: -6.7 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 0SCF HTML
24 Iodobenzenezene - trimethylamine
 H=-6.724+"24 Iodobenzenezene - trimethylamine separated.mop" HR=CCSDT HWT=5
  C     1.03728800 +0   0.00053900 +0  -0.58210200 +0
  C    -0.17648700 +1  -0.00027100 +0   0.10271500 +0
  C    -0.18317400 +0  -0.00051800 +1   1.49813300 +0
  C     1.01988000 +0   0.00004000 +0   2.20517200 +0
  C     2.22861600 +0   0.00084800 +0   1.51150500 +0
  C     2.24175300 +0   0.00109600 +0   0.11827300 +0
  I    -2.00407300 +0  -0.00169600 +0   2.53437700 +0
  H     1.01315700 +0  -0.00013500 +0   3.28624400 +0
  H     3.15911500 +0   0.00127900 +0   2.06322500 +0
  H     3.18139800 +0   0.00171500 +0  -0.41641500 +0
  H     1.03828300 +0   0.00072900 +0  -1.66386900 +0
  H    -1.10930400 +0  -0.00068800 +0  -0.44373200 +0
  N    -4.58259228 +0  -0.00197470 +0   4.00462341 +0
  C    -5.43224828 +0   1.03309530 +0   3.44351741 +0
  C    -5.20206428 +0  -1.30609070 +0   3.85063841 +0
  C    -4.31061128 +0   0.26856730 +0   5.40493540 +0
  H    -5.22921528 +0   0.28365330 +0   6.01106440 +0
  H    -3.64703728 +0  -0.49733470 +0   5.80303041 +0
  H    -3.81737828 +0   1.23437030 +0   5.50157740 +0
  H    -6.40888128 +0   1.08751130 +0   3.94818840 +0
  H    -4.94082728 +0   2.00009830 +0   3.53708840 +0
  H    -5.60071628 +0   0.83453330 +0   2.38635340 +0
  H    -6.16682928 +0  -1.37221170 +0   4.37631040 +0
  H    -5.37006028 +0  -1.50860870 +0   2.79416441 +0
  H    -4.53989128 +0  -2.07443670 +0   4.24625341 +0