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

cd(ii)(edta)(=)   5363 Cd(II)(EDTA)(=)

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    #  Species Formula
  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
  5365 Methyl cadmium fluoride (Geo)CH3FCd
  5366 Methyl cadmium fluorideCH3FCd
  5367 Cadmium difluorideF2Cd
  5368 Cadmium difluoride (Geo)F2Cd
  5369 Cd(II)F4(=)F4Cd
  5370 Cd(II)F4(=) (Geo)F4Cd
  5371 Cd[N(SiMe3)2]2C12H36N2Si4Cd
  5372 Cd(CH3S)2C2H6S2Cd
  5373 Cd(CH3S)2 (Geo)C2H6S2Cd


ΔHf: -386.1 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)(EDTA)(=)
 H=-386.1 HR=PW91D
 Cd     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.32434173 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.49989679 +1   72.7848907 +1    0.0000000 +0     1     2     0
  O     2.14209578 +1   75.1046845 +1  177.7170657 +1     1     2     3
  O     2.18242975 +1  103.0938608 +1 -110.7181930 +1     1     2     4
  O     5.25104289 +1   29.3732627 +1 -114.4459766 +1     1     2     5
  C     1.48802775 +1  106.8742732 +1 -111.6964795 +1     3     1     2
  C     1.49787545 +1  111.1996839 +1  121.2399506 +1     3     1     7
  C     1.50915093 +1  106.1275737 +1  -35.8153256 +1     2     1     3
  C     1.55951366 +1  109.5524625 +1  -29.7524937 +1     7     3     1
  O     1.22421806 +1  116.7340554 +1 -148.9692423 +1    10     7     3
  C     1.27142143 +1  122.4023103 +1  -71.1519808 +1     5     1     2
  O     1.22536807 +1  124.8281132 +1  169.4102627 +1    12     5     1
  H     1.10586565 +1  112.5182609 +1  139.9000006 +1     8     3     1
  H     1.11127952 +1  111.5673371 +1 -177.3350229 +1     9     2     1
  C     1.28537832 +1  119.7194281 +1  -16.3734773 +1     4     1     2
  O     1.22313968 +1  123.2583426 +1 -174.2430861 +1    16     4     1
  C     1.23818626 +1   55.4677588 +1  -25.9565661 +1     6     1     2
  O     1.23498195 +1  128.9162784 +1  157.3860634 +1    18     6     1
  H     1.11899534 +1  110.9445433 +1  118.7617891 +1     8     3    14
  H     1.11468140 +1  108.2480021 +1  118.2431567 +1     9     2    15
  C     1.49801090 +1  113.7838480 +1  121.1714333 +1     2     1     9
  C     1.48733537 +1  106.2336430 +1  121.0724053 +1     3     1     8
  C     1.50100681 +1  108.2663039 +1  121.3519085 +1     2     1    22
  O     1.27597406 +1  118.8778971 +1 -176.9096605 +1    10     7    11
  H     1.10828455 +1  109.0536813 +1  -37.6919145 +1    22     2     1
  H     1.10433151 +1  109.9811786 +1  117.6986960 +1    22     2    26
  H     1.10395655 +1  113.4087418 +1 -154.5269621 +1    23     3     1
  H     1.11019856 +1  110.6161760 +1 -120.2356794 +1    23     3    28
  H     1.10601122 +1  111.6472934 +1   90.2562953 +1    24     2     1
  H     1.11459698 +1  111.6777176 +1  118.7027352 +1    24     2    30
  H     1.11216259 +1  110.6245145 +1  117.0653886 +1     7     3    10
  H     1.10264699 +1  113.6178038 +1  120.3809867 +1     7     3    32