Accuracy

66 MeNH2 - Pyridine     88 66 MeNH2 - Pyridine

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    #  Species Formula
    78 56 Benzene - MeNH2 (NH - pi)C7H11N
    79 57 Benzene - Peptide (NH - pi)C9H13NO
    80 58 Pyridine - Pyridine (CH - N)C10H10N2
    81 59 Ethyne - WaterC2H4O
    82 60 Ethyne - AcOH (OH-pi)C4H6O2
    83 61 Pentane - AcOHC7H16O2
    84 62 Pentane - AcNH2C7H17NO
    85 63 Benzene - AcOHC8H10O2
    86 64 Peptide - EthyleneC5H11NO
    87 65 Pyridine - EthyneC7H7N
    88 66 MeNH2 - Pyridine C6H10N2
    89 1 Circumcoronene adenineC59H23N5
    90 2 Circumcoronene GC base pairC63H28N8O2
    91 3 Coronene dimerC48H24
    92 4 GCGC base pair stackC18H20N16O4
    93 5 Guanine trimerC15H15N15O3
    94 6 Octadecane dimerC36H76
    95 7 Phenylalanine residues trimerC33H42N6O6
    96 Water dimer Structure 1 (Non-planar open Cs)H4O2
    97 Water dimer Structure 10 (Planar Bifurcated C2v)H4O2
    98 Water dimer Structure 2 (Open Ci)H4O2


ΔHf: -4.0 kcal/mol,     REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
  
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  66 MeNH2 - Pyridine
 H=-3.97+"66 MeNH2 - Pyridine (Separated).mop" HR=CCSDT HWT=5
  N    -0.00001000 +0   0.00000000 +0   0.00000000 +0
  H     0.59660200 +0  -0.81569400 +0   0.07870200 +0
  H    -0.92862000 +0  -0.30428400 +0   0.26213800 +0
  C     0.46225000 +0   1.01281400 +0   0.94745400 +0
  H    -0.17910400 +0   1.88983800 +0   0.88097500 +0
  H     0.49029100 +0   0.69424700 +0   1.99450900 +0
  H     1.46748000 +0   1.32702800 +0   0.67099400 +0
  N     2.88289900 +0  -1.28637600 +0   0.23914800 +0
  C     3.22133600 +0  -0.47403200 +0  -0.77256400 +0
  H     2.67866800 +0  -0.61857000 +0  -1.69794600 +0
  C     4.19266500 +0   0.51810200 +0  -0.67219700 +0
  H     4.41751700 +0   1.14244200 +0  -1.52504800 +0
  C     4.85350500 +0   0.68764300 +0   0.54006700 +0
  H     5.61135900 +0   1.44988100 +0   0.65645100 +0
  C     4.51337200 +0  -0.14731900 +0   1.59919000 +0
  H     4.99596000 +0  -0.05685700 +0   2.56189000 +0
  C     3.52959000 +0  -1.11210800 +0   1.40000700 +0
  H     3.24350600 +0  -1.77585600 +0   2.20661700 +0