Accuracy

li(plus)(h2o)2   1033 Li(+)(H2O)2

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    #  Species Formula
  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)2 H4LiO2
  1034 Li(+)(H2O)2 (Geo)H4LiO2
  1035 Lithium peroxideLi2O2
  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


ΔHf: -5.5 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=1 PM7
Li(+)(H2O)2
 H=-5.5 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.12964008 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.12964841 +1  178.4015885 +1    0.0000000 +0     1     2     0
  H     0.96941516 +1  127.9681764 +1 -148.5678093 +1     2     1     3
  H     0.96948755 +1  127.9361274 +1  179.8609528 +1     2     1     4
  H     0.96942907 +1  127.9690711 +1 -119.3245515 +1     3     1     5
  H     0.96942475 +1  127.9461211 +1 -179.6794149 +1     3     1     6