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

zn(ii)sncl2 (catszn)   3771 Zn(II)SNCl2 (CATSZN)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3761 Zinc dichloride, cationCl2Zn
  3762 Zinc dichlorideCl2Zn
  3763 Zinc dichloride (Geo)Cl2Zn
  3764 Zn(II)N2Cl2 (ZNACET) (Geo)C4H6N2Cl2Zn
  3765 Zn(II)N2Cl2 (ZNACET)C4H6N2Cl2Zn
  3766 Zn(II)N2Cl2 (CAHGEX) (Geo)C5H14N2Cl2Zn
  3767 Zn(II)N2Cl2 (CAHGEX)C5H14N2Cl2Zn
  3768 Zn(II)O2Cl2 (DUCNEU) (Geo)H4O2Cl2Zn
  3769 Zn(II)O2Cl2 (DUCNEU)H4O2Cl2Zn
  3770 Zn(II)SNCl2 (CATSZN) (Geo)C4H9N3SCl2Zn
  3771 Zn(II)SNCl2 (CATSZN) C4H9N3SCl2Zn
  3772 Zn(II)S2Cl2 (CLSTUZ) (Geo)C2H8N4S2Cl2Zn
  3773 Zn(II)S2Cl2 (CLSTUZ)C2H8N4S2Cl2Zn
  3774 Zn(II)Cl4(2-) (ABDZNC20) (Geo)Cl4Zn
  3775 Zn(II)Cl4(2-) (ABDZNC20)Cl4Zn
  3776 Zn2[S2C-NMe2]4C12H24N4S8Zn2
  3777 Zn2[S2C-NMe2]4 (Geo)C12H24N4S8Zn2
  3778 Gallium, tricationGa
  3779 Gallium, dicationGa
  3780 Gallium, cationGa
  3781 Gallium, atomGa


ΔHf: -53.1 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)SNCl2 (CATSZN)
 H=-53.1 HR=PW91D
 Zn     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.15796182 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.12322585 +1  136.0318274 +1    0.0000000 +0     1     2     0
  S     2.34184874 +1  107.7582079 +1  168.2472755 +1     1     2     3
  N     2.19692544 +1   87.5627838 +1   79.8685994 +1     1     2     4
  C     2.37347919 +1   88.8568097 +1   88.0823253 +1     5     1     2
  H     2.06012444 +1  134.9567585 +1 -153.6130156 +1     5     1     6
  H     2.38079776 +1  123.3840404 +1  -38.2305351 +1     7     5     1
  H     1.70405749 +1  120.3577176 +1   10.8326410 +1     8     7     5
  H     2.53584642 +1   79.0605513 +1 -177.2266487 +1     7     5     8
  H     1.78295579 +1   68.0081293 +1   80.0311715 +1    10     7     5
  H     1.76292194 +1  119.2559381 +1  -31.3494270 +1    10     7    11
  H     1.11639624 +1   87.5771020 +1  -25.5591573 +1     6     5     1
  H     1.10840541 +1  107.0270330 +1  105.2635547 +1     6     5    13
  H     1.09818925 +1  137.1436343 +1  143.8078596 +1     6     5    14
  N     1.02414164 +1   37.7439642 +1  157.6706354 +1     7     5    10
  N     1.00041638 +1   88.1255830 +1   -1.8534788 +1     8     7     9
  C     1.36024963 +1  123.6531680 +1   -7.9012041 +1    17     8     7
  C     1.30325646 +1  123.1272635 +1  151.5012963 +1     5     1     7
  C     1.10094134 +1   35.9791661 +1 -108.3492531 +1    11    10     7