Accuracy

zn(ii)s4o2 (tedvih)   3755 Zn(II)S4O2 (TEDVIH)

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    #  Species Formula
  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
  3759 Zinc dichloride, cationCl2Zn
  3760 Zinc dichlorideCl2Zn
  3761 Zinc dichloride (Geo)Cl2Zn
  3762 Zn(II)N2Cl2 (ZNACET) (Geo)C4H6N2Cl2Zn
  3763 Zn(II)N2Cl2 (ZNACET)C4H6N2Cl2Zn
  3764 Zn(II)N2Cl2 (CAHGEX) (Geo)C5H14N2Cl2Zn
  3765 Zn(II)N2Cl2 (CAHGEX)C5H14N2Cl2Zn


ΔHf: -103.2 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.
  
 PULAY PM7
Zn(II)S4O2 (TEDVIH)
 H=-103.2 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.55991071 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.57226634 +1   88.8941792 +1    0.0000000 +0     1     2     0
  O     1.89785036 +1   80.2020108 +1  -79.9120315 +1     1     2     3
  C     1.83608147 +1  107.4086289 +1  -43.4870399 +1     2     1     3
  C     1.52379203 +1  113.5381873 +1   -4.0770220 +1     5     2     1
  C     1.52399608 +1  113.5653678 +1   84.6380545 +1     6     5     2
  C     1.82529813 +1   93.3831427 +1  107.1223559 +1     2     1     5
  C     1.82565881 +1   93.1987746 +1  -63.2397896 +1     3     1     2
  C     1.33214656 +1  117.8322576 +1   44.9552894 +1     4     1     2
  S     2.54237912 +1  100.0321162 +1  178.6774116 +1     1     4     2
  C     1.83513260 +1  108.0865370 +1  -54.7165129 +1    11     1     4
  C     1.52382373 +1  113.6854162 +1    0.7770552 +1    12    11     1
  C     1.52401212 +1  113.5261212 +1  -82.9849095 +1    13    12    11
  S     1.83654483 +1  113.3195181 +1   86.1250038 +1    14    13    12
  O     1.89273546 +1   99.3596802 +1  164.8616886 +1     1     2     8
  C     1.33194283 +1  118.3569450 +1  134.0445972 +1    16     1     2
  C     1.57054318 +1  111.7073629 +1   60.2806824 +1    17    16     1
  C     1.56841511 +1  111.5368309 +1 -123.9626027 +1    17    16    18
  H     1.10206286 +1  110.6526661 +1  126.1381749 +1     5     2     6
  H     1.10964242 +1  105.1876647 +1  113.9820485 +1     5     2    20
  H     1.12755248 +1  111.1282782 +1 -126.1890310 +1     6     5     7
  H     1.11221208 +1  108.8678616 +1 -112.4196244 +1     6     5    22
  H     1.10216002 +1  111.3683024 +1   41.7362286 +1     7     6     5
  H     1.10959985 +1  109.6615617 +1  116.9914041 +1     7     6    24
  H     1.10612148 +1  105.8357899 +1  111.3294103 +1     8     2     1
  H     1.09419194 +1  112.7152121 +1  116.6262974 +1     8     2    26
  H     1.10595980 +1  105.8062802 +1 -112.1014740 +1     9     3     1
  H     1.09406000 +1  112.6745309 +1 -116.7091216 +1     9     3    28
  H     1.12000551 +1  107.6489587 +1 -179.8172497 +1    10     4     1
  H     1.10983058 +1  105.1568728 +1  119.8909864 +1    12    11    13
  H     1.10220127 +1  110.6071392 +1  113.9947636 +1    12    11    31
  H     1.11227157 +1  108.8046579 +1 -121.3370544 +1    13    12    14
  H     1.12744315 +1  111.0949235 +1 -112.4147664 +1    13    12    33
  H     1.10915344 +1  109.7682553 +1  117.3281142 +1    14    13    15
  H     1.10190388 +1  111.4237860 +1  117.0904718 +1    14    13    35
  H     1.12015036 +1  107.6191331 +1 -117.9799466 +1    17    16    19
  H     1.09408974 +1  111.5730517 +1 -162.3296105 +1    18    17    16
  H     1.10581578 +1  107.8339305 +1 -117.2163472 +1    18    17    38
  H     1.09422855 +1  111.6239391 +1  165.6778473 +1    19    17    16
  H     1.10645736 +1  107.7191284 +1  117.2701045 +1    19    17    40