Accuracy

h2o2r   1029 Hydrogen peroxide (Geo)

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    #  Species Formula
  1019 (1-Methylpropyl) ureaC5H12N2O
  1020 N,N-diethylureaC5H12N2O
  1021 TetramethylureaC5H12N2O
  1022 CEB (Torsion angle) (Geo)C13H12N2O
  1023 1D88_B3P (Torsion angle) (Geo)C14H14N2O
  1024 4-Amino-2(1H)-pyrimidinoneC4H5N3O
  1025 2ME_B3P (Torsion angle) (Geo)C22H26N4O
  1026 Oxygen, triplet state (Geo)O2
  1027 Oxygen (Singlet)O2
  1028 Oxygen (Triplet)O2
  1029 Hydrogen peroxide (Geo) H2O2
  1030 Hydrogen peroxideH2O2
  1031 LiOH.H2OH3LiO2
  1032 LiOH.H2O (Geo)H3LiO2
  1033 Li(+)(H2O)2H4LiO2
  1034 Li(+)(H2O)2 (Geo)H4LiO2
  1035 Lithium peroxideLi2O2
  1036 Lithium hydroxide dimerH2Li2O2
  1037 Beryllium di-hydroxideH2BeO2
  1038 BO2.BO2
  1039 BO2. (Geo)BO2


REF: W. C. Oelfke, W. Gordy, J. Chem. Phys., 51, 5336 (1969).
  
 SYMMETRY PM7
Hydrogen peroxide
 GR=OG1969 <O-O> <O-H> <H-O-O> <H-O-O-H> GWT=0.5
 
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.47500000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.95000000 +1   94.8000000 +1    0.0000000 +0     2     1     0
  H     0.95000000 +0   94.8000000 +0  119.8000000 +1     1     2     3
 
   3  1    4
   3  2    4