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

cd(ii)(en)3r   5354 Cd(II)(en)3 (Geo)

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    #  Species Formula
  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
  5363 Cd(II)(EDTA)(=)C10H12N2O8Cd
  5364 Cd(II)(EDTA)(=) (Geo)C10H12N2O8Cd


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)(en)3
 <Cd-N> GR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.47272100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.24604209 +1   74.5990074 +1    0.0000000 +0     1     2     0
  N     2.28422939 +1   92.9449791 +1  100.3983250 +1     1     2     3
  N     2.32632163 +1  164.0360399 +1  -46.9111946 +1     1     2     4
  N     2.26844782 +1   88.0690577 +1  140.5444089 +1     1     2     5
  N     2.32028391 +1  100.8975825 +1   75.6827425 +1     1     2     6
  C     1.51343894 +1  113.7242792 +1   17.0291772 +1     3     1     2
  C     1.50011565 +1  108.5158516 +1   12.5520177 +1     2     1     3
  C     1.50824690 +1  110.6603786 +1   62.7948710 +1     5     1     2
  C     1.51011799 +1  111.8368874 +1 -153.8825202 +1     4     1     2
  C     1.50822669 +1  110.9938136 +1  -71.9425197 +1     7     1     2
  C     1.51067852 +1  112.1482913 +1  116.4827885 +1     6     1     2
  H     1.11350770 +1  108.8953540 +1   76.7531742 +1     8     3     1
  H     1.11368317 +1  109.1920947 +1   82.1196411 +1     9     2     1
  H     1.11396180 +1  109.0182209 +1   81.6257671 +1    10     5     1
  H     1.11379135 +1  109.0279957 +1   81.3408720 +1    11     4     1
  H     1.11409935 +1  109.0103809 +1   82.5818665 +1    12     7     1
  H     1.11408868 +1  108.9552169 +1   81.0952236 +1    13     6     1
  H     1.11668502 +1  111.0925053 +1  116.8557409 +1    13     6    19
  H     1.11654006 +1  110.7479199 +1  116.7877238 +1     8     3    14
  H     1.11668395 +1  111.3421298 +1  116.9861978 +1    12     7    18
  H     1.11681626 +1  111.9300145 +1  117.2657069 +1     9     2    15
  H     1.11668016 +1  111.3616189 +1  116.9607432 +1    10     5    16
  H     1.11666167 +1  111.1326912 +1  116.9137719 +1    11     4    17
  H     1.02114750 +1  111.6993404 +1  121.1290780 +1     2     1     9
  H     1.02904641 +1  109.8287832 +1  122.2959819 +1     3     1     8
  H     1.02554178 +1  110.9113667 +1  121.4805599 +1     5     1    10
  H     1.02715980 +1  110.0670800 +1  121.7851221 +1     4     1    11
  H     1.02722512 +1  110.9656927 +1  122.4278603 +1     6     1    13
  H     1.02566037 +1  110.9509732 +1  121.6560174 +1     7     1    12
  H     1.02131779 +1  110.2234394 +1  118.4968592 +1     2     1    26
  H     1.02569163 +1  109.5423887 +1  117.4327783 +1     7     1    31
  H     1.02870633 +1  108.7362942 +1  116.2334556 +1     3     1    27
  H     1.02651247 +1  109.5790313 +1  116.8472933 +1     4     1    29
  H     1.02534977 +1  109.9893235 +1  117.5414828 +1     5     1    28
  H     1.02784110 +1  108.4177315 +1  116.8261092 +1     6     1    30