Accuracy

11_benzene_dimer_stack     11 11 Benzene dimer stack

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    #  Species Formula
     1 01 Ammonia dimerH6N2
     2 02 Water dimerH4O2
     3 03 Formic acid dimerC2H4O4
     4 04 Formamide dimerC2H6N2O2
     5 05 Uracil HBC8H8N4O4
     6 06 Pyridoxine - aminopyridineC10H11N3O
     7 07 Adenine - thymine WCC10H11N7O2
     8 08 Methane methaneC2H8
     9 09 Ethylene dimerC4H8
    10 10 Benzene - methaneC7H10
    11 11 Benzene dimer stack C12H12
    12 12 Pyrazine dimerC8H8N4
    13 13 Uracil dimer stackC8H8N4O4
    14 14 Indole - benzene stackC14H13N
    15 15 Adenine - thymine stackC10H11N7O2
    16 16 Ethylene - acetyleneC4H6
    17 17 Benzene - waterC6H8O
    18 18 Benzene - ammoniaC6H9N
    19 19 Benzene - HCNC7H7N
    20 20 Benzene dimer T"C12H12
    21 21 Indole - benzene TC14H13N


ΔHf: -2.7 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
 PM7
11 Benzene dimer stack
 H=-2.73+"11_BENZENE_DIMER_STACK_WELL_SEPARATED" HR=CCSDT HWT=5
  C    -1.04782500 +0  -1.42167400 +0   0.00000000 +0
  C    -1.45450300 +0  -0.85544600 +0   1.20620500 +0
  C    -1.45450300 +0  -0.85544600 +0  -1.20620500 +0
  C    -2.26679700 +0   0.27716100 +0   1.20695400 +0
  C    -2.67147800 +0   0.84502100 +0   0.00000000 +0
  C    -2.26679700 +0   0.27716100 +0  -1.20695400 +0
  H    -1.13385300 +0  -1.29205900 +0  -2.14231500 +0
  H    -2.58249400 +0   0.71630700 +0  -2.14379800 +0
  H    -3.30304200 +0   1.72327000 +0   0.00000000 +0
  H    -2.58249400 +0   0.71630700 +0   2.14379800 +0
  H    -1.13385300 +0  -1.29205900 +0   2.14231500 +0
  H    -0.40602500 +0  -2.29190500 +0   0.00000000 +0
  C     1.04782500 +0   1.42167400 +0   0.00000000 +0
  C     1.45450300 +0   0.85544600 +0  -1.20620500 +0
  C     1.45450300 +0   0.85544600 +0   1.20620500 +0
  C     2.26679700 +0  -0.27716100 +0  -1.20695400 +0
  C     2.67147800 +0  -0.84502100 +0   0.00000000 +0
  C     2.26679700 +0  -0.27716100 +0   1.20695400 +0
  H     0.40602500 +0   2.29190500 +0   0.00000000 +0
  H     1.13385300 +0   1.29205900 +0   2.14231500 +0
  H     2.58249400 +0  -0.71630700 +0   2.14379800 +0
  H     3.30304200 +0  -1.72327000 +0   0.00000000 +0
  H     2.58249400 +0  -0.71630700 +0  -2.14379800 +0
  H     1.13385300 +0   1.29205900 +0  -2.14231500 +0