Accuracy

cd(ii)(h2o)6r   5358 Cd(II)(H2O)6 (Geo)

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    #  Species Formula
  5348 Cd(II)(CN)4(=) (Geo)C4N4Cd
  5349 Cd(II)(NH3)6H18N6Cd
  5350 Cd(II)(NH3)6 (Geo)H18N6Cd
  5351 Cd(II)(en)3C6H24N6Cd
  5352 Cd(II)(en)3 (Geo)C6H24N6Cd
  5353 Cd(II)N6(2+) (ENCDSS) (Geo)C6H24N6Cd
  5354 Cd(II)N6(2+) (ENCDSS)C6H24N6Cd
  5355 Cd(II)(OH)2H2O2Cd
  5356 Cd(II)(OH)2 (Geo)H2O2Cd
  5357 Cd(II)(H2O)6H12O6Cd
  5358 Cd(II)(H2O)6 (Geo) H12O6Cd
  5359 Cd(II)O4N2 (BUNVUB10) (Geo)C6H16N2O6Cd
  5360 Cd(II)O4N2 (BUNVUB10)C6H16N2O6Cd
  5361 Cd(II)(EDTA)(=)C10H12N2O8Cd
  5362 Cd(II)(EDTA)(=) (Geo)C10H12N2O8Cd
  5363 Methyl cadmium fluoride (Geo)CH3FCd
  5364 Methyl cadmium fluorideCH3FCd
  5365 Cadmium difluorideF2Cd
  5366 Cadmium difluoride (Geo)F2Cd
  5367 Cd(II)F4(=)F4Cd
  5368 Cd(II)F4(=) (Geo)F4Cd


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=2 PM7
Cd(II)(H2O)6
 <Cd-O> GR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.34733700 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27914105 +1  108.2251430 +1    0.0000000 +0     1     2     0
  O     2.27538748 +1   85.4514822 +1  106.0510102 +1     1     2     3
  O     2.23825567 +1  120.9924292 +1   64.9468716 +1     1     2     4
  O     2.22971047 +1   76.2836625 +1   69.7130604 +1     1     2     5
  O     2.23660699 +1   74.4177080 +1 -159.8381435 +1     1     6     2
  H     0.97025430 +1  129.3327725 +1    0.3697608 +1     2     1     3
  H     0.97136612 +1  123.1676142 +1  167.7295189 +1     2     1     8
  H     0.99424172 +1  113.1429135 +1  -86.4073923 +1     7     1     4
  H     0.99688046 +1  110.8476078 +1  115.0131875 +1     7     1    10
  H     0.98552119 +1  116.6662375 +1    4.9381421 +1     4     1     2
  H     0.98301910 +1  121.5680356 +1 -128.8088791 +1     4     1    12
  H     0.99765369 +1  110.2583744 +1  156.8635002 +1     6     1     2
  H     0.98755389 +1  116.1405189 +1 -116.8847199 +1     6     1    14
  H     0.98157607 +1  121.8192465 +1   88.2266086 +1     3     1     2
  H     0.98263179 +1  119.8133347 +1 -133.8601282 +1     3     1    16
  H     0.99222646 +1  112.5283316 +1   40.7806967 +1     5     1     2
  H     0.99515494 +1  112.5367112 +1 -115.9882345 +1     5     1    18