Accuracy

zn(ii)s2n2 (xustag)   3748 Zn(II)S2N2 (XUSTAG)

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    #  Species Formula
  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
  3751 [Zn(CH3S)3](-)C3H9S3Zn
  3752 [Zn(CH3S)3](-) (Geo)C3H9S3Zn
  3753 [Zn(CH3S)4](=)C4H12S4Zn
  3754 Zn(II)S4O2 (TEDVIH) (Geo)C12H22O2S4Zn
  3755 Zn(II)S4O2 (TEDVIH)C12H22O2S4Zn
  3756 Zn(II)N2CCl (CLPDZN) (Geo)C11H23N2ClZn
  3757 Zn(II)O3NCl (CEAMZN) (Geo)C6H14NO3ClZn
  3758 Zn(II)O3NCl (CEAMZN)C6H14NO3ClZn


ΔHf: -35.5 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)S2N2 (XUSTAG)
 H=-35.5 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.21244166 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     2.13963365 +1   90.1485557 +1    0.0000000 +0     1     2     0
  H     2.43267372 +1   98.7687450 +1   28.2698182 +1     2     1     3
  C     1.50175517 +1  107.3291951 +1   23.8174668 +1     3     1     2
  H     1.11090152 +1  111.1857152 +1 -170.4047475 +1     5     3     1
  H     1.11634060 +1  108.3739296 +1 -116.8689142 +1     5     3     6
  H     1.02137642 +1  109.9452626 +1  120.3026800 +1     3     1     5
  H     1.01758221 +1  111.3448347 +1  118.8561494 +1     3     1     8
  S     2.21286107 +1  151.1943463 +1  124.2392381 +1     1     2     3
  C     1.84918800 +1   97.6348670 +1  126.9130579 +1    10     1     2
  H     1.10459255 +1  107.3100851 +1 -149.6955740 +1    11    10     1
  H     1.10199992 +1  108.3534819 +1 -115.0422167 +1    11    10    12
  C     1.53088148 +1  111.9559487 +1 -123.7158540 +1    11    10    13
  H     1.11091448 +1  110.2399082 +1  175.7977774 +1    14    11    10
  H     1.11640830 +1  110.4005932 +1  117.5125311 +1    14    11    15
  N     1.50195904 +1  110.0259071 +1  119.5250990 +1    14    11    16
  H     1.02137906 +1  110.5590706 +1 -168.1833071 +1    17    14    11
  H     1.01740906 +1  110.3536878 +1 -118.7202225 +1    17    14    18
  C     1.10202385 +1   46.1664196 +1  -89.3398591 +1     4     2     1
  H     1.10451983 +1  106.8754422 +1 -115.4066140 +1    20     4     2