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

hydrogen peroxide   1032 Hydrogen peroxide

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    #  Species Formula
  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 peroxide H2O2
  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
  1039 Beryllium di-hydroxideH2BeO2
  1040 BO2.BO2
  1041 BO2. (Geo)BO2
  1042 Boron oxide hydroxideHBO2


ΔHf: -32.5 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
  
 SYMMETRY PM7
Hydrogen peroxide
 H=-32.5 HR=JANAF86
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.42550581 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     0.98970530 +1   97.6623290 +1    0.0000000 +0     2     1     0
  H     0.98970530 +0   97.6623290 +0  179.9944854 +1     1     2     3