Accuracy

cd(ii)(h2o)6   5357 Cd(II)(H2O)6

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    #  Species Formula
  5347 Cd(II)(CN)4(=)C4N4Cd
  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)6 H12O6Cd
  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


ΔHf: 26.0 kcal/mol,     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
 H=26.0 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.26708456 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.26706028 +1   89.7543058 +1    0.0000000 +0     1     2     0
  O     2.26747129 +1   90.2375190 +1   90.0639765 +1     1     2     3
  O     2.26741874 +1   90.2103824 +1   89.6936149 +1     1     2     4
  O     2.26699041 +1   89.9347925 +1   90.3575449 +1     1     2     5
  O     2.26738299 +1   90.0584513 +1  179.7405853 +1     1     6     2
  H     0.96769062 +1  125.7844640 +1   -0.2264821 +1     2     1     3
  H     0.96749697 +1  125.9840476 +1 -179.1659508 +1     2     1     8
  H     0.96749160 +1  126.0732938 +1  -90.7350944 +1     7     1     4
  H     0.96763115 +1  125.7094009 +1 -179.2611685 +1     7     1    10
  H     0.96753592 +1  125.9955253 +1   -0.7382552 +1     4     1     2
  H     0.96759867 +1  125.7881491 +1 -179.0193540 +1     4     1    12
  H     0.96753942 +1  125.9062906 +1 -179.2314115 +1     6     1     2
  H     0.96765450 +1  125.8602867 +1  179.0009619 +1     6     1    14
  H     0.96753398 +1  125.9268373 +1   91.0359279 +1     3     1     2
  H     0.96767145 +1  125.8358738 +1  178.5657481 +1     3     1    16
  H     0.96753466 +1  126.0313354 +1   88.9846411 +1     5     1     2
  H     0.96760524 +1  125.7445712 +1 -178.5905238 +1     5     1    18