Accuracy

h2or    587 Water (Geo)

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    #  Species Formula
   577 1,1,1-Tricyano-2-phenyl ethaneC11H7N3
   578 2,2',6',2'-TerpyridineC15H11N3
   579 1-H TetrazoleCH2N4
   580 2-H-TetrazoleCH2N4
   581 TetracyanoethyleneC6N4
   582 1,3,5,7-TetraazaadamantaneC6H12N4
   583 MelamineC3H6N6
   584 Oxygen, atomO
   585 Hydroxyl radicalHO
   586 Hydroxide, anionHO
   587 Water (Geo) H2O
   588 WaterH2O
   589 Hydronium, cationH3O
   590 Carbon monoxideCO
   591 Carbon monoxide (Geo)CO
   592 HCO, cationHCO
   593 HCOHCO
   594 Formaldehyde (Geo)CH2O
   595 FormaldehydeCH2O
   596 CH2OH, cationCH3O
   597 Methoxy, radicalCH3O


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
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
 
   2  1    3