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

cd(ii)(nh3)6r   5352 Cd(II)(NH3)6 (Geo)

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    #  Species Formula
  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)6H18N6Cd
  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
  5362 Cd(II)O4N2 (BUNVUB10)C6H16N2O6Cd


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
 <Cd-N> GR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.48406000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.25194588 +1   85.7178559 +1    0.0000000 +0     1     2     0
  N     2.27590380 +1   92.7828659 +1 -179.8599252 +1     1     3     2
  N     2.25665788 +1   87.0364579 +1 -179.3246691 +1     1     2     3
  N     2.25567099 +1   87.5199483 +1  -88.8987467 +1     1     2     5
  H     1.02006578 +1  112.5634781 +1 -100.4453361 +1     6     1     2
  H     1.02066380 +1  111.9876002 +1 -120.2827938 +1     6     1     7
  H     1.02030015 +1  111.5741695 +1   44.3968140 +1     5     1     2
  H     1.02017443 +1  111.8893093 +1 -119.5038684 +1     5     1     9
  H     1.01963415 +1  112.0775648 +1  136.8522498 +1     4     1     5
  H     1.01999683 +1  111.8893706 +1  119.8018010 +1     4     1    11
  H     1.02022858 +1  112.4718725 +1 -152.1061727 +1     3     1     2
  H     1.02013450 +1  112.3144151 +1 -120.4726205 +1     3     1    13
  H     1.01356750 +1  112.3036764 +1   48.2987921 +1     2     1     3
  H     1.01396664 +1  111.5982565 +1 -119.6718172 +1     2     1    15
  N     2.25104113 +1   87.3169810 +1  177.7574286 +1     1     2     6
  H     1.02048993 +1  111.5422652 +1   -6.9184010 +1    17     1     2
  H     1.02045454 +1  112.0467113 +1 -119.8672983 +1    17     1    18
  H     1.01351792 +1  112.2277040 +1 -119.8744236 +1     2     1    16
  H     1.02068168 +1  111.2886551 +1 -119.5315971 +1     3     1    14
  H     1.01951487 +1  112.3956310 +1  120.0587450 +1     4     1    12
  H     1.02008350 +1  112.5665257 +1 -120.2895241 +1     5     1    10
  H     1.02057539 +1  111.4763533 +1 -119.7611132 +1     6     1     8
  H     1.02019964 +1  112.3259994 +1 -120.1904145 +1    17     1    19