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

h3zn(ox)3r   3744 H3Zn(Ox)3 (Geo)

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    #  Species Formula
  3734 Zn(II)(H2O)5.OH (Geo)H11O6Zn
  3735 Zn(II)(H2O)6H12O6Zn
  3736 Zn(II)(H2O)6 (Geo)H12O6Zn
  3737 Zn(II)O6(2+) (ZNAQBS) (Geo)H12O6Zn
  3738 Zn(II)O6(2+) (ZNAQBS)H12O6Zn
  3739 Zn(II)O6 (ZNAQAC02) (Geo)C4H10O6Zn
  3740 Zn(II)O6 (ZNAQAC02)C4H10O6Zn
  3741 Zinc(II) (EDTA)C10H12N2O8Zn
  3742 Zinc(II) (EDTA) (Geo)C10H12N2O8Zn
  3743 H3Zn(Ox)3C6H3O12Zn
  3744 H3Zn(Ox)3 (Geo) C6H3O12Zn
  3745 Zn(CH2SiMe3)2C8H22Si2Zn
  3746 Zn[N(SiMe3)2]2C12H36N2Si4Zn
  3747 Zinc sulfideSZn
  3748 Zn(II)S2N2 (XUSTAG) (Geo)C4H12N2S2Zn
  3749 Zn(II)S2N2 (XUSTAG)C4H12N2S2Zn
  3750 Zn(II)O3S2 (GAYZIP) (Geo)C4H6N2O5S2Zn
  3751 Zn(II)O3S2 (GAYZIP)C4H6N2O5S2Zn
  3752 [Zn(CH3S)3](-)C3H9S3Zn
  3753 [Zn(CH3S)3](-) (Geo)C3H9S3Zn
  3754 [Zn(CH3S)4](=)C4H12S4Zn


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=-1 PM7
H3Zn(Ox)3
 <Zn-O> <Zn-O> GR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.02601500 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.36864200 +1   78.9810026 +1    0.0000000 +0     1     2     0
  O     4.12344522 +1  152.5390003 +1   15.8212869 +1     1     2     3
  O     1.93745871 +1  107.5310490 +1 -174.8576332 +1     1     2     4
  O     1.92591238 +1  120.0820012 +1 -134.3984406 +1     1     2     5
  O     2.13201752 +1  139.4426797 +1 -125.8812243 +1     1     2     6
  C     1.26698939 +1  114.5228927 +1  -12.8368306 +1     2     1     3
  C     1.23221033 +1   88.9330317 +1   36.2866658 +1     3     1     2
  C     1.26351286 +1  122.9441109 +1  -98.0164207 +1     6     1     2
  C     1.20731972 +1   45.8804077 +1   -5.5919827 +1     4     1     2
  C     1.26734244 +1  116.1747203 +1  146.1364092 +1     5     1     2
  C     1.23488657 +1  101.2205306 +1 -131.3567912 +1     7     1     2
  O     1.20435406 +1  130.0898784 +1 -170.4278863 +1    12     5     1
  O     1.31935314 +1  121.2685910 +1 -142.5026824 +1    13     7     1
  O     1.20508419 +1  130.5949993 +1  169.4424676 +1     8     2     1
  O     1.31854337 +1  122.9970151 +1  115.7071922 +1     9     3     1
  O     1.22749906 +1  126.2040327 +1  118.2955873 +1    10     6     1
  O     1.34657990 +1  119.7220105 +1 -117.1934736 +1    11     4     1
  H     1.01685242 +1  112.7261348 +1   13.1781779 +1    15    13     7
  H     1.03216017 +1  112.6605683 +1  -19.0436987 +1    17     9     3
  H     1.00462558 +1  111.5104478 +1  161.6727667 +1    19    11     4