Accuracy

li(plus)(h2o)3r   1305 Li(+)(H2O)3 (Geo)

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    #  Species Formula
  1295 TryptophanC11H12N2O2
  1296 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1297 Imidodicarbonic diamideC2H5N3O2
  1298 HistidineC6H9N3O2
  1299 ArgenineC6H14N4O2
  1300 Ozone (Geo)O3
  1301 OzoneO3
  1302 LiOH.2H2OH5LiO3
  1303 LiOH.2H2O (Geo)H5LiO3
  1304 Li(+)(H2O)3H6LiO3
  1305 Li(+)(H2O)3 (Geo) H6LiO3
  1306 Be3O3Be3O3
  1307 Boric acid, B(OH)3 (Geo)H3BO3
  1308 TrihydroxyboraneH3BO3
  1309 B2O3B2O3
  1310 Diboron trioxide (Geo)B2O3
  1311 B2O3H2H2B2O3
  1312 B2O3H2 (Geo)H2B2O3
  1313 B3O3H3H3B3O3
  1314 B3O3H3 (Geo)H3B3O3
  1315 1,3,5-TrioxaneC3H6O3


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
 <Li-O> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.98000900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.23138316 +1  120.5189139 +1    0.0000000 +0     1     2     0
  O     2.23024319 +1  121.9545997 +1  178.4629400 +1     1     2     3
  H     0.96970290 +1  128.0359676 +1 -147.6523555 +1     2     1     3
  H     0.96972248 +1  128.2012168 +1 -179.0904159 +1     2     1     5
  H     0.96597021 +1  127.6144266 +1 -143.9470460 +1     3     1     2
  H     0.96578647 +1  127.9912541 +1 -177.7355434 +1     3     1     7
  H     0.96593191 +1  127.4887207 +1 -135.6909412 +1     4     1     2
  H     0.96588414 +1  128.1376156 +1 -178.4855453 +1     4     1     9