PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

h2or    709 Water (Geo)

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    #  Species Formula
   699 TetracyanoethyleneC6N4
   700 1,3,5,7-TetraazaadamantaneC6H12N4
   701 Li(I)N4(+) (PIKWAH) (Geo)H32LiC12N4
   702 Li(I)N4(+) (PIKWAH)H32LiC12N4
   703 AdenineC5H5N5
   704 MelamineC3H6N6
   705 Be(II)3N6 (DMABET10) (Geo)C12H36Be3N6
   706 Oxygen, atomO
   707 Hydroxyl radicalHO
   708 Hydroxide, anionHO
   709 Water (Geo) H2O
   710 WaterH2O
   711 Hydronium, cationH3O
   712 Lithium oxide (LiO) (Geo)LiO
   713 Lithium oxide (LiO)LiO
   714 Lithium hydroxide (Geo)HLiO
   715 Lithium hydroxideHLiO
   716 Lithium oxide (Li2O) (Geo)Li2O
   717 Lithium oxide (Li2O)Li2O
   718 Beryllium oxide (Geo)BeO
   719 Beryllium hydroxideHBeO


REF: G. Herzberg, "Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules," Van Nostrand, New York, N.Y., 1966.
  
 SYMMETRY PM7
Water
 <O-H> <H-O-H> GR=HERZ1966
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     0.95700000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.95700000 +0  104.5000000 +1    0.0000000 +0     2     1     0