Accuracy

cd(ii)(edta)(=)r   5362 Cd(II)(EDTA)(=) (Geo)

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    #  Species Formula
  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
  5369 Cd[N(SiMe3)2]2C12H36N2Si4Cd
  5370 Cd(CH3S)2C2H6S2Cd
  5371 Cd(CH3S)2 (Geo)C2H6S2Cd
  5372 Cd(II)N6 (CDENIC) (Geo)C6H16N6S2Cd


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)(EDTA)(=)
 <Cd-N> <><> <Cd-O> GR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.45114900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.44716332 +1   72.4039744 +1    0.0000000 +0     1     2     0
  O     2.28808300 +1   71.0988695 +1  179.0503061 +1     1     2     3
  O     2.16086092 +1  104.3542897 +1 -111.0426671 +1     1     2     4
  O     5.30559492 +1   30.3781692 +1 -114.2148497 +1     1     2     5
  C     1.49216666 +1  106.6548403 +1 -112.0769300 +1     3     1     2
  C     1.50225749 +1  113.0713613 +1  121.2249125 +1     3     1     7
  C     1.50224068 +1  103.3648160 +1  -35.5372031 +1     2     1     3
  C     1.55744448 +1  109.8396621 +1  -30.0165245 +1     7     3     1
  O     1.22265061 +1  117.1831810 +1 -148.9293375 +1    10     7     3
  C     1.27549828 +1  121.3055329 +1  -70.8719176 +1     5     1     2
  O     1.22354344 +1  124.6000956 +1  170.5422419 +1    12     5     1
  H     1.10583229 +1  112.1846585 +1  140.9194329 +1     8     3     1
  H     1.11285615 +1  111.8131004 +1 -178.3973945 +1     9     2     1
  C     1.27338274 +1  120.1767124 +1  -17.0929920 +1     4     1     2
  O     1.22715059 +1  123.8468349 +1 -174.1939419 +1    16     4     1
  C     1.23964999 +1   57.5914479 +1  -21.5555622 +1     6     1     2
  O     1.23466101 +1  128.7812677 +1  156.2796348 +1    18     6     1
  H     1.12058325 +1  110.7338335 +1  118.2141211 +1     8     3    14
  H     1.11384051 +1  108.3554650 +1  118.2535955 +1     9     2    15
  C     1.49201086 +1  113.9732172 +1  120.3881360 +1     2     1     9
  C     1.49134300 +1  106.2973732 +1  121.6153404 +1     3     1     8
  C     1.49227314 +1  108.5917032 +1  122.7133105 +1     2     1    22
  O     1.27971204 +1  118.5652305 +1 -177.1917038 +1    10     7    11
  H     1.10747192 +1  108.8974394 +1  -32.6421400 +1    22     2     1
  H     1.10476577 +1  110.0532286 +1  117.5074877 +1    22     2    26
  H     1.10421759 +1  113.2611107 +1 -153.0349943 +1    23     3     1
  H     1.11010119 +1  110.7950541 +1 -120.1428786 +1    23     3    28
  H     1.10609380 +1  111.5840941 +1   85.8465045 +1    24     2     1
  H     1.11364203 +1  111.8349730 +1  119.0035979 +1    24     2    30
  H     1.11376024 +1  110.4552122 +1  117.1819294 +1     7     3    10
  H     1.10292760 +1  113.4426110 +1  120.0132774 +1     7     3    32