Accuracy

zn(ii)o6 (znaqac02)   3739 Zn(II)O6 (ZNAQAC02)

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    #  Species Formula
  3729 Zn(II)O5 (ACACZM01)C10H16O5Zn
  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


ΔHf: -333.7 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.
  
 PM7
Zn(II)O6 (ZNAQAC02)
 H=-333.7 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     3.02563912 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.21387557 +1   38.5659799 +1    0.0000000 +0     2     1     0
  O     1.98357539 +1  134.5440651 +1  -58.7351052 +1     1     2     3
  C     1.27367853 +1   28.2513052 +1 -177.3181144 +1     3     2     1
  C     1.49606589 +1  116.4294524 +1  179.7675563 +1     5     3     2
  H     1.09942536 +1  111.8833099 +1    7.8676489 +1     6     5     3
  H     1.10031681 +1  110.7170927 +1  121.1400986 +1     6     5     7
  H     1.10039600 +1  110.4425433 +1  118.4494663 +1     6     5     8
  H     0.97247493 +1  102.9766193 +1   60.2384878 +1     4     1     2
  H     1.07425594 +1   93.1365681 +1  106.0518123 +1     4     1    10
  O     3.02935363 +1  164.4803889 +1  127.0841902 +1     1     2     4
  C     1.24813342 +1   67.5432637 +1  107.9596066 +1    12     1     3
  O     1.27293169 +1  122.8166020 +1    1.5543261 +1    13    12     1
  O     1.98828221 +1   56.0745484 +1 -171.7538521 +1     1     2     5
  H     0.97354883 +1  102.1810428 +1 -105.0637567 +1    15     1     2
  H     1.07063092 +1   93.0094720 +1  106.0261629 +1    15     1    16
  C     1.49585899 +1  120.6140933 +1 -179.9037031 +1    13    12    14
  H     1.09942268 +1  111.9133764 +1  175.7929798 +1    18    13    12
  H     1.10050377 +1  110.5037150 +1  120.6586572 +1    18    13    19
  H     1.10018975 +1  110.6807209 +1  118.3741480 +1    18    13    20