Accuracy

water dimer structure 10 (planar bifurcated c2v)     97 Water dimer Structure 10 (Planar Bifurcated C2v)

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    #  Species Formula
    87 65 Pyridine - EthyneC7H7N
    88 66 MeNH2 - PyridineC6H10N2
    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
    99 Water dimer Structure 3 (Planar Open Cs)H4O2
   100 Water dimer Structure 4 (Cyclic Ci)H4O2
   101 Water dimer Structure 5 (Cyclic C2)H4O2
   102 Water dimer Structure 6 (Cyclic C2h)H4O2
   103 Water dimer Structure 7 (Triply Hydrogen Bonded Cs)H4O2
   104 Water dimer Structure 8 (Non-planar Bifurcated C2v)H4O2
   105 Water dimer Structure 9 (Non-planar Bifurcated C2v)H4O2
   106 WaterH2O
   107 WaterH2O


ΔHf: 2.7 kcal/mol,     REF: G. S. Tschumper, M. L. Leininger, B. C. Hoffman, E. F. Valeev, H. F. Schaefer III, M. Quack, J. Chem. Phys. 116, 690 (2002)
  
 PM7
Water dimer Structure 10 (Planar Bifurcated C2v)
 HR=TLHVSQ02 H=2.71+"WATER DIMER STRUCTURE 1 (NON-PLANAR OPEN CS)" HWT=25
  O     0.00000000 +0   0.00000000 +0   1.65764880 +0
  O     0.00000000 +0   0.00000000 +0  -1.52400870 +0
  H    -0.74492192 +0   0.00000000 +0   1.05346440 +0
  H     0.74492192 +0   0.00000000 +0   1.05346440 +0
  H     0.75633100 +0   0.00000000 +0  -2.11394720 +0
  H    -0.75633100 +0   0.00000000 +0  -2.11394720 +0