PM7 Accuracy

oxygen (triplet)   1031 Oxygen (Triplet)

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    #  Species Formula
  1021 5-Amino-3,4-dimethylisoxazoleC5H8N2O
  1022 (1-Methylpropyl) ureaC5H12N2O
  1023 N,N-diethylureaC5H12N2O
  1024 TetramethylureaC5H12N2O
  1025 CEB (Torsion angle) (Geo)C13H12N2O
  1026 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1027 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1028 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1029 Oxygen, triplet state (Geo)O2
  1030 Oxygen (Singlet)O2
  1031 Oxygen (Triplet) O2
  1032 Hydrogen peroxide (Geo)H2O2
  1033 Hydrogen peroxideH2O2
  1034 LiOH.H2OH3LiO2
  1035 LiOH.H2O (Geo)H3LiO2
  1036 Li(+)(H2O)2H4LiO2
  1037 Li(+)(H2O)2 (Geo)H4LiO2
  1038 Lithium peroxideLi2O2
  1039 Lithium hydroxide dimerH2Li2O2
  1040 Beryllium di-hydroxideH2BeO2
  1041 BO2.BO2


DHf: 0.0 kcal/mol,     REF: Element in its standard state.
  
 OPEN(2,2) TRIPLET PM7
Oxygen (Triplet)
 H=0 HR=ELEMENT
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     1.13235389  1    0.0000000  0    0.0000000  0     1     0     0