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

o2r   1028 Oxygen, triplet state (Geo)

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    #  Species Formula
  1018 Dimethyl furazanC4H6N2O
  1019 IsopropylureaC4H10N2O
  1020 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1021 (1-Methylpropyl) ureaC5H12N2O
  1022 N,N-diethylureaC5H12N2O
  1023 TetramethylureaC5H12N2O
  1024 CEB (Torsion angle) (Geo)C13H12N2O
  1025 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1026 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1027 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1028 Oxygen, triplet state (Geo) O2
  1029 Oxygen (Singlet)O2
  1030 Oxygen (Triplet)O2
  1031 Hydrogen peroxide (Geo)H2O2
  1032 Hydrogen peroxideH2O2
  1033 LiOH.H2OH3LiO2
  1034 LiOH.H2O (Geo)H3LiO2
  1035 Li(+)(H2O)2H4LiO2
  1036 Li(+)(H2O)2 (Geo)H4LiO2
  1037 Lithium peroxideLi2O2
  1038 Lithium hydroxide dimerH2Li2O2


REF: G. Herzberg, "Molecular Spectra and Molecular Structure I. Spectra of Diatomic Molecules," 2nd ed, Van Nostrand, New York, N.Y., 1950.
  
 OPEN(2,2) GNORM=500 TRIPLET PM7
Oxygen, triplet state
 GR=GH1950 <O-O> GWT=0.5
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.21600000 +1    0.0000000 +0    0.0000000 +0     1     0     0