PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

cd(ii)(nh3)6   5351 Cd(II)(NH3)6

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    #  Species Formula
  5341 Dimethyl cadmium, cationC2H6Cd
  5342 Dimethylcadmium (Geo)C2H6Cd
  5343 Dimethyl cadmiumC2H6Cd
  5344 Diethyl cadmiumC4H10Cd
  5345 Cd(II)N2C2 (LAJMOY) (Geo)C8H22N2Cd
  5346 Cd(II)N2C2 (LAJMOY)C8H22N2Cd
  5347 Cd(II)(CN)3(-)C3N3Cd
  5348 Cd(II)(CN)3(-) (Geo)C3N3Cd
  5349 Cd(II)(CN)4(=)C4N4Cd
  5350 Cd(II)(CN)4(=) (Geo)C4N4Cd
  5351 Cd(II)(NH3)6 H18N6Cd
  5352 Cd(II)(NH3)6 (Geo)H18N6Cd
  5353 Cd(II)(en)3C6H24N6Cd
  5354 Cd(II)(en)3 (Geo)C6H24N6Cd
  5355 Cd(II)N6(2+) (ENCDSS) (Geo)C6H24N6Cd
  5356 Cd(II)N6(2+) (ENCDSS)C6H24N6Cd
  5357 Cd(II)(OH)2H2O2Cd
  5358 Cd(II)(OH)2 (Geo)H2O2Cd
  5359 Cd(II)(H2O)6H12O6Cd
  5360 Cd(II)(H2O)6 (Geo)H12O6Cd
  5361 Cd(II)O4N2 (BUNVUB10) (Geo)C6H16N2O6Cd


ΔHf: 243.9 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)(NH3)6
 H=243.9 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.28864245 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.28700198 +1   89.1147635 +1    0.0000000 +0     1     2     0
  N     2.28599155 +1   89.7148885 +1  179.7297857 +1     1     3     2
  N     2.28856634 +1   90.0088665 +1 -179.7566505 +1     1     2     3
  N     2.28814366 +1   90.7046453 +1  -88.9604000 +1     1     2     5
  H     1.01872428 +1  112.3348791 +1  -99.1941159 +1     6     1     2
  H     1.01911699 +1  111.6984444 +1 -119.9596957 +1     6     1     7
  H     1.01874107 +1  111.9811796 +1   38.5605379 +1     5     1     2
  H     1.01895696 +1  111.7469717 +1 -119.7243536 +1     5     1     9
  H     1.01867863 +1  111.9457856 +1  142.3617390 +1     4     1     5
  H     1.01898587 +1  111.8737730 +1  119.7371472 +1     4     1    11
  H     1.01855259 +1  112.2074052 +1 -148.3865138 +1     3     1     2
  H     1.01877149 +1  112.1554454 +1 -120.1586762 +1     3     1    13
  H     1.01869220 +1  112.1165830 +1   39.2232137 +1     2     1     3
  H     1.01906376 +1  111.7850973 +1 -119.6865297 +1     2     1    15
  N     2.28027828 +1   90.1916117 +1  178.2866737 +1     1     2     6
  H     1.01881587 +1  112.1264865 +1   -4.3809688 +1    17     1     2
  H     1.01892969 +1  111.7929245 +1 -119.9694032 +1    17     1    18
  H     1.01856758 +1  112.2679327 +1 -119.9966766 +1     2     1    16
  H     1.01890067 +1  111.8618985 +1 -119.8745667 +1     3     1    14
  H     1.01847276 +1  112.3445231 +1  120.1532517 +1     4     1    12
  H     1.01838237 +1  112.4151957 +1 -120.0481098 +1     5     1    10
  H     1.01885404 +1  112.1115727 +1 -119.7827098 +1     6     1     8
  H     1.01875584 +1  112.0681110 +1 -119.9093975 +1    17     1    19