Accuracy

24 Benzene - Benzene (pi - pi)     46 24 Benzene - Benzene (pi - pi)

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    #  Species Formula
    36 14 Peptide - MeNH2C4H12N2O
    37 15 Peptide - PeptideC6H14N2O2
    38 16 Peptide - WaterC3H9NO2
    39 17 Uracil - Uracil (BP)C8H8N4O4
    40 18 Water - PyridineC5H7NO
    41 19 MeOH - PyridineC6H9NO
    42 20 AcOH - AcOHC4H8O4
    43 21 AnNH2 - AcNH2C4H10N2O2
    44 22 AcOH - UracilC6H8N2O4
    45 23 AcNH2 - UracilC6H9N3O3
    46 24 Benzene - Benzene (pi - pi) C12H12
    47 25 Pyridine - Pyridine (pi - pi)C10H10N2
    48 26 Uracil - Uracil (pi - pi)C8H8N4O4
    49 27 Benzene - Pyridine (pi - pi)C11H11N
    50 28 Benzene - Uracil (pi - pi)C10H10N2O2
    51 29 Pyridine - uracil (pi - pi)C9H9N3O2
    52 30 Benzene - EthyleneC8H10
    53 31 Uracil - EthyleneC6H8N2O2
    54 32 Uracil - EthyneC6H6N2O2
    55 33 Pyridine - EthyleneC7H9N
    56 34 Pentane - PentaneC10H24


ΔHf: -2.8 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  24 Benzene - Benzene (pi - pi)
 H=-2.82+"24 Benzene - Benzene (pi - pi) (Separated).mop" HR=CCSDT HWT=5
  C    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.64518700 +0   0.86540300 +0   0.06719600 +0
  C     0.54558100 +0  -1.28024800 +0   0.06369300 +0
  H     1.61229900 +0  -1.40809600 +0   0.18620200 +0
  C    -0.28577000 +0  -2.39552300 +0  -0.01789100 +0
  H     0.13779000 +0  -3.38942900 +0   0.03420900 +0
  C    -1.66223300 +0  -2.23107000 +0  -0.16085500 +0
  H    -2.30711100 +0  -3.09727000 +0  -0.22425400 +0
  C    -2.20818100 +0  -0.94994500 +0  -0.22208700 +0
  H    -3.27643800 +0  -0.82177500 +0  -0.33424400 +0
  C    -1.37648300 +0   0.16564700 +0  -0.14394200 +0
  H    -1.79955600 +0   1.16000400 +0  -0.19342700 +0
  C     1.27510500 +0  -0.01123900 +0   3.64977900 +0
  H     1.91995100 +0   0.85494500 +0   3.71352900 +0
  C     1.82105900 +0  -1.29239000 +0   3.71129800 +0
  H     2.88926500 +0  -1.42053700 +0   3.82404200 +0
  C     0.98940900 +0  -2.40799000 +0   3.63264800 +0
  H     1.41249100 +0  -3.40234200 +0   3.68230100 +0
  C    -0.38699200 +0  -2.24235500 +0   3.48793100 +0
  H    -1.03209500 +0  -3.10776500 +0   3.42029800 +0
  C    -0.93255200 +0  -0.96212200 +0   3.42396500 +0
  H    -1.99918000 +0  -0.83429300 +0   3.30078700 +0
  C    -0.10127500 +0   0.15315900 +0   3.50603600 +0
  H    -0.52480000 +0   1.14706300 +0   3.45366700 +0