Accuracy

cd(ii)n6(2plus) (encdss)   5354 Cd(II)N6(2+) (ENCDSS)

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    #  Species Formula
  5344 Cd(II)N2C2 (LAJMOY)C8H22N2Cd
  5345 Cd(II)(CN)3(-)C3N3Cd
  5346 Cd(II)(CN)3(-) (Geo)C3N3Cd
  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)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


ΔHf: 271.3 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)N6(2+) (ENCDSS)
 H=271.3 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.30826660 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.30725855 +1   75.7044897 +1    0.0000000 +0     1     2     0
  N     2.31022552 +1   91.9806683 +1 -165.1030137 +1     1     2     3
  N     2.30815978 +1   92.4565126 +1  -92.5047440 +1     1     2     4
  N     2.30994226 +1  102.5433911 +1  168.2462081 +1     1     2     5
  N     2.30647745 +1  161.4427978 +1  142.1396460 +1     1     2     6
  C     1.50788618 +1  111.8910340 +1   88.1157359 +1     4     1     2
  C     1.50796238 +1  111.9317781 +1 -179.5506422 +1     5     1     2
  C     1.50805324 +1  111.9706540 +1 -102.7410330 +1     6     1     2
  C     1.50817219 +1  111.9660798 +1   37.6067226 +1     7     1     2
  H     2.17853815 +1  138.3937656 +1   -1.7975053 +1     2     1     3
  H     1.78571119 +1   64.7027319 +1  -61.3754886 +1    12     2     1
  H     2.14776235 +1  105.5677055 +1  -43.6678945 +1     3     1     2
  H     1.78450358 +1   66.5352795 +1  142.0571190 +1    14     3     1
  H     1.02706307 +1  107.6791438 +1  107.2219462 +1     2     1    12
  H     1.02551772 +1  111.8865852 +1  116.6307574 +1     2     1    16
  H     1.02555996 +1  111.7591870 +1  -92.9753777 +1     3     1    14
  H     1.02721110 +1  107.5774364 +1 -116.4687353 +1     3     1    18
  H     1.02533350 +1  111.8872875 +1 -123.2221434 +1     4     1     8
  H     1.02699011 +1  107.6257763 +1 -116.5993048 +1     4     1    20
  H     1.02545654 +1  111.8290519 +1 -123.1896567 +1     5     1     9
  H     1.02708552 +1  107.6429027 +1 -116.5876275 +1     5     1    22
  H     1.02703185 +1  107.6266321 +1  120.2228165 +1     6     1    10
  H     1.02542914 +1  111.8243050 +1  116.5880942 +1     6     1    24
  H     1.02708757 +1  107.6554133 +1  120.2279867 +1     7     1    11
  H     1.02557072 +1  111.7973373 +1  116.5998864 +1     7     1    26
  H     1.11364413 +1  109.0648614 +1  -81.5187222 +1     8     4     1
  H     1.11675176 +1  111.3348224 +1 -117.0216570 +1     8     4    28
  H     1.11368043 +1  109.0609620 +1  -81.8707454 +1     9     5     1
  H     1.11681138 +1  111.3269994 +1 -116.9914595 +1     9     5    30
  H     1.11674499 +1  111.3060629 +1  161.1567039 +1    10     6     1
  H     1.11365978 +1  109.0528421 +1  116.9476311 +1    10     6    32
  H     1.11679013 +1  111.2996241 +1  161.2939425 +1    11     7     1
  H     1.11370368 +1  109.0540231 +1  116.9458268 +1    11     7    34
  C     1.11381751 +1   36.8679002 +1   38.7602510 +1    13    12     2
  C     1.11670585 +1   36.7712761 +1  -38.7247253 +1    15    14     3