Accuracy

li(plus)(h2o)6r   1440 Li(+)(H2O)6 (Geo)

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    #  Species Formula
  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
  1449 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (LOLNOP01)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.
  
 CHARGE=1 PM7
Li(+)(H2O)6
 <Li-O> GR=PW91D
 Li     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.24980400 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.20366661 +1  112.0099516 +1    0.0000000 +0     1     2     0
  O     2.27011349 +1  179.9970300 +1  103.9969784 +1     1     2     3
  O     2.25394893 +1  114.3728508 +1   72.2443391 +1     1     2     3
  O     2.20394899 +1   67.4703171 +1   97.3708759 +1     1     2     5
  O     2.30341876 +1   66.4552729 +1   95.8914454 +1     1     2     6
  H     0.96601109 +1  109.1793286 +1   90.7814766 +1     2     1     3
  H     0.95381948 +1  137.4999900 +1 -149.6013049 +1     2     1     8
  H     0.95537069 +1  129.1921745 +1  -34.0046180 +1     3     1     2
  H     0.97444544 +1  105.4722233 +1  127.8567749 +1     3     1    10
  H     0.96492912 +1  110.3493511 +1 -128.8128755 +1     4     1     2
  H     0.95624575 +1  132.1118172 +1 -140.4474970 +1     4     1    12
  H     0.96979036 +1  106.6208600 +1  163.6580851 +1     5     1     2
  H     0.95604060 +1  132.3883094 +1 -134.4477666 +1     5     1    14
  H     0.94966520 +1  138.9628019 +1 -177.7534493 +1     6     1     2
  H     0.95935103 +1  111.8189989 +1  169.1441649 +1     6     1    16
  H     0.96048975 +1  118.0053777 +1  -97.2177455 +1     7     1     2
  H     0.95891489 +1  126.1041593 +1 -142.7307873 +1     7     1    18