Accuracy

li(plus)(h2o)5.ohr   1438 Li(+)(H2O)5.OH (Geo)

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    #  Species Formula
  1428 Tartronic acidC3H4O5
  1429 1,3,5,7,9-pentaoxecaneC5H10O5
  1430 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5
  1431 15-Crown-5C10H20O5
  1432 LiNO3.2H2OH4LiNO5
  1433 LiNO3.2H2O (Geo)H4LiNO5
  1434 Dinitrogen pentoxideN2O5
  1435 SER-SERC6H12N2O5
  1436 THR-THRC8H16N2O5
  1437 Li(+)(H2O)5.OHH11LiO6
  1438 Li(+)(H2O)5.OH (Geo) H11LiO6
  1439 Li(+)(H2O)6H12LiO6
  1440 Li(+)(H2O)6 (Geo)H12LiO6
  1441 B3O3(OH)3H3B3O6
  1442 Tri-acetyl borate (Geo)H9BC6O6
  1443 Tri-acetyl borateH9BC6O6
  1444 Trimethyl methanetricarboxylateC7H10O6
  1445 Triethyl methanetricarboxylateC10H16O6
  1446 Triethyl 1,1,1-ethanetricarboxylateC11H18O6
  1447 Li(I)O6(+) (COLGEP) (Geo)H30LiC12O6
  1448 Li(I)O6(+) (COLGEP)H30LiC12O6


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.
  
 PM7
Li(+)(H2O)5.OH
 <Li-O(H2)> <><> <><><> <><><> <><><> <Li-O(H)> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.25755900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.72669625 +1   68.2596749 +1    0.0000000 +0     1     2     0
  O     2.47801496 +1  103.3640529 +1   31.9105224 +1     1     2     3
  O     3.24334253 +1   50.8825652 +1   12.7527028 +1     1     2     4
  O     2.30945870 +1   75.1928009 +1   53.0342630 +1     1     2     5
  O     2.04824100 +1   73.7140334 +1 -144.3926085 +1     1     2     6
  H     0.94625786 +1  128.5169340 +1 -153.9863517 +1     2     1     3
  H     1.04266533 +1   93.6876207 +1  111.3747551 +1     2     1     8
  H     0.94188759 +1  145.6540248 +1  -26.1842035 +1     3     1     2
  H     1.04384608 +1   63.3321235 +1   79.2497623 +1     3     1    10
  H     0.96195767 +1  120.2391596 +1  -85.7603059 +1     4     1     2
  H     0.98947946 +1   89.3727180 +1  104.5034089 +1     4     1    12
  H     0.91456291 +1  126.2780684 +1 -160.3790781 +1     5     2     1
  H     0.94913456 +1  128.0163865 +1 -160.6673960 +1     6     1     2
  H     1.01898061 +1   92.0201546 +1  110.5342881 +1     6     1    15
  H     0.96508002 +1  111.3205868 +1  -31.0093719 +1     7     1     2
  H     0.99769069 +1  107.9746394 +1  111.9047494 +1     7     1    17