Accuracy

lithium peroxide   1035 Lithium peroxide

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    #  Species Formula
  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 peroxide Li2O2
  1036 Lithium hydroxide dimerH2Li2O2
  1037 Beryllium di-hydroxideH2BeO2
  1038 BO2.BO2
  1039 BO2. (Geo)BO2
  1040 Boron oxide hydroxideHBO2
  1041 HOBOHBO2
  1042 Dihydroxyborane(1)H3BO2
  1043 LiBO2LiBO2
  1044 O-B-B-OB2O2
  1045 O-B-B-O (Geo)B2O2


ΔHf: -58.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Lithium peroxide
 H=-58 HR=NIST
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.72809924 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Li     1.71770332 +1  131.9558595 +1    0.0000000 +0     2     1     0
  O     1.73289088 +1   48.6011052 +1    0.0000000 +1     3     2     1