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

li(plus)(h2o)3   1306 Li(+)(H2O)3

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    #  Species Formula
  1296 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1297 TryptophanC11H12N2O2
  1298 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1299 Imidodicarbonic diamideC2H5N3O2
  1300 HistidineC6H9N3O2
  1301 ArgenineC6H14N4O2
  1302 Ozone (Geo)O3
  1303 OzoneO3
  1304 LiOH.2H2OH5LiO3
  1305 LiOH.2H2O (Geo)H5LiO3
  1306 Li(+)(H2O)3 H6LiO3
  1307 Li(+)(H2O)3 (Geo)H6LiO3
  1308 Be3O3Be3O3
  1309 Boric acid, B(OH)3 (Geo)H3BO3
  1310 TrihydroxyboraneH3BO3
  1311 B2O3B2O3
  1312 Diboron trioxide (Geo)B2O3
  1313 B2O3H2H2B2O3
  1314 B2O3H2 (Geo)H2B2O3
  1315 B3O3H3H3B3O3
  1316 B3O3H3 (Geo)H3B3O3


ΔHf: -68.2 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)3
 H=-68.2 HR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.20498810 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.20516536 +1  118.7845799 +1    0.0000000 +0     1     2     0
  O     2.20496191 +1  120.5545329 +1  178.8942967 +1     1     2     3
  H     0.96622322 +1  127.6495772 +1 -146.6565553 +1     2     1     3
  H     0.96624791 +1  127.8575654 +1 -178.2740790 +1     2     1     5
  H     0.96626163 +1  127.8617657 +1 -144.2030326 +1     3     1     2
  H     0.96623842 +1  127.6564762 +1 -178.3417144 +1     3     1     7
  H     0.96626897 +1  127.6645292 +1 -135.7200521 +1     4     1     2
  H     0.96630467 +1  127.8810352 +1 -179.0682806 +1     4     1     9