Accuracy

zinc (ii) edta   3740 Zinc(II) (EDTA)

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    #  Species Formula
  3730 Zn(OH)2.(H2O)4H10O6Zn
  3731 Zn(OH)2.(H2O)4 (Geo)H10O6Zn
  3732 Zn(II)(H2O)5.OHH11O6Zn
  3733 Zn(II)(H2O)5.OH (Geo)H11O6Zn
  3734 Zn(II)(H2O)6H12O6Zn
  3735 Zn(II)(H2O)6 (Geo)H12O6Zn
  3736 Zn(II)O6(2+) (ZNAQBS) (Geo)H12O6Zn
  3737 Zn(II)O6(2+) (ZNAQBS)H12O6Zn
  3738 Zn(II)O6 (ZNAQAC02) (Geo)C4H10O6Zn
  3739 Zn(II)O6 (ZNAQAC02)C4H10O6Zn
  3740 Zinc(II) (EDTA) C10H12N2O8Zn
  3741 Zinc(II) (EDTA) (Geo)C10H12N2O8Zn
  3742 H3Zn(Ox)3C6H3O12Zn
  3743 H3Zn(Ox)3 (Geo)C6H3O12Zn
  3744 Zn(CH2SiMe3)2C8H22Si2Zn
  3745 Zn[N(SiMe3)2]2C12H36N2Si4Zn
  3746 Zinc sulfideSZn
  3747 Zn(II)S2N2 (XUSTAG) (Geo)C4H12N2S2Zn
  3748 Zn(II)S2N2 (XUSTAG)C4H12N2S2Zn
  3749 Zn(II)O3S2 (GAYZIP) (Geo)C4H6N2O5S2Zn
  3750 Zn(II)O3S2 (GAYZIP)C4H6N2O5S2Zn


ΔHf: -408.3 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
Zinc(II) (EDTA)
 H=-408.3 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     2.03305091 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.03485090 +1   86.4339253 +1    0.0000000 +0     1     2     0
  O     1.92775089 +1   86.4240453 +1  154.6357534 +1     1     2     3
  O     3.69128157 +1   74.6133639 +1  -96.2365367 +1     1     2     4
  O     3.80594996 +1   57.1255576 +1 -129.7321283 +1     1     2     5
  C     1.49871327 +1  102.5140392 +1 -126.7060690 +1     3     1     2
  C     1.50038334 +1  109.2946099 +1  116.1779506 +1     3     1     7
  C     1.49976328 +1  108.8595101 +1  -13.4205106 +1     2     1     3
  C     1.55437479 +1  108.6980920 +1  -36.0847690 +1     7     3     1
  O     1.22279838 +1  118.5395716 +1 -148.0454861 +1    10     7     3
  C     1.23298441 +1   84.5566699 +1 -104.1273468 +1     5     1     2
  O     1.23568626 +1  129.3185518 +1  155.4323363 +1    12     5     1
  H     1.11136399 +1  111.8688707 +1  153.2168371 +1     8     3     1
  H     1.11141828 +1  111.9566149 +1  155.8706274 +1     9     2     1
  C     1.27361392 +1  113.8379468 +1   -8.3260631 +1     4     1     2
  O     1.22290770 +1  125.4391522 +1  170.6281665 +1    16     4     1
  C     1.23336188 +1   81.7853352 +1   -8.3076682 +1     6     1     2
  O     1.23557939 +1  129.2884754 +1  154.3081191 +1    18     6     1
  H     1.11804905 +1  109.9828492 +1  118.5694676 +1     8     3    14
  H     1.11871583 +1  109.7363732 +1  118.6069571 +1     9     2    15
  C     1.49066027 +1  112.3828039 +1  125.8849260 +1     2     1     9
  C     1.48981040 +1  112.7334682 +1  125.8981863 +1     3     1     8
  C     1.49848797 +1  102.7655972 +1  118.0251441 +1     2     1    22
  O     1.27381420 +1  115.9893568 +1 -177.8646767 +1    10     7    11
  H     1.10997378 +1  107.9970274 +1   23.8609387 +1    22     2     1
  H     1.10462468 +1  112.3665014 +1  119.0823704 +1    22     2    26
  H     1.10466189 +1  112.3264937 +1  147.2213936 +1    23     3     1
  H     1.10909489 +1  108.1932907 +1 -119.2566366 +1    23     3    28
  H     1.11873080 +1  110.2068561 +1   80.9657666 +1    24     2     1
  H     1.10218325 +1  113.5116457 +1  120.4788897 +1    24     2    30
  H     1.11989969 +1  110.0676335 +1  116.3586747 +1     7     3    10
  H     1.10199398 +1  113.5428089 +1  120.4037051 +1     7     3    32