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

h3zn(ox)3   3743 H3Zn(Ox)3

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    #  Species Formula
  3733 Zn(II)(H2O)5.OHH11O6Zn
  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)3 C6H3O12Zn
  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


ΔHf: -618.9 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=-1 PM7
H3Zn(Ox)3
 H=-618.9 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.84354141 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     3.52710497 +1   64.2132781 +1    0.0000000 +0     1     2     0
  O     3.42750472 +1  179.9951351 +1  -74.5119222 +1     1     2     3
  O     1.94610434 +1  123.1805897 +1 -108.9385271 +1     1     2     4
  O     1.86847767 +1  114.9710834 +1 -144.1657937 +1     1     2     5
  O     2.15012950 +1  106.3538574 +1 -123.5473108 +1     1     2     6
  C     1.27573068 +1  123.3442670 +1  -24.6071074 +1     2     1     3
  C     1.20145352 +1   52.2459572 +1   52.1330534 +1     3     1     2
  C     1.27194140 +1  124.5985438 +1  156.0025544 +1     6     1     2
  C     1.20384502 +1   57.8664056 +1  155.3487364 +1     4     1     2
  C     1.26811306 +1  116.0288478 +1   91.6194338 +1     5     1     2
  C     1.22561102 +1  104.2368993 +1 -119.9124926 +1     7     1     2
  O     1.20338578 +1  129.6025172 +1 -161.7291472 +1    12     5     1
  O     1.33173932 +1  120.6173429 +1 -173.2095930 +1    13     7     1
  O     1.20963529 +1  125.9722526 +1 -171.9802452 +1     8     2     1
  O     1.35090654 +1  123.0385832 +1  108.1858512 +1     9     3     1
  O     1.20931194 +1  126.3107198 +1 -173.0452662 +1    10     6     1
  O     1.34864115 +1  122.5606119 +1  109.6766683 +1    11     4     1
  H     0.99408271 +1  113.7913798 +1    3.5614786 +1    15    13     7
  H     0.99616049 +1  112.9158341 +1  -26.6053423 +1    17     9     3
  H     0.99153339 +1  113.3708426 +1  -18.3500363 +1    19    11     4