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

gecl2s2 (cttger)   3939 GeCl2S2 (CTTGER)

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    #  Species Formula
  3929 Chlorotrifluorogermane (Geo)F3ClGe
  3930 GeS2O2Cl(-) (CUTKOR) (Geo)C12H8O2S2ClGe
  3931 GeS2O2Cl(-) (CUTKOR)C12H8O2S2ClGe
  3932 GeCl2 (DIOXGC) (Geo)Cl2Ge
  3933 GeCl2 (DIOXGC)Cl2Ge
  3934 Germanium dichloride (Geo)Cl2Ge
  3935 Germanium dichlorideCl2Ge
  3936 Dimethylgermanium dichlorideC2H6Cl2Ge
  3937 Dimethylgermanium dichloride (Geo)C2H6Cl2Ge
  3938 GeCl2S2 (CTTGER) (Geo)C4H8S3Cl2Ge
  3939 GeCl2S2 (CTTGER) C4H8S3Cl2Ge
  3940 GeCl3(-) (FASSUO) (Geo)Cl3Ge
  3941 GeCl3(-) (FASSUO)Cl3Ge
  3942 Trichlorogermane (Geo)HCl3Ge
  3943 Trichloromethylgermane (Geo)CH3Cl3Ge
  3944 TrichloromethylgermaneCH3Cl3Ge
  3945 GeCCl3 (BOSBIU01) (Geo)C3H5O2Cl3Ge
  3946 GeCCl3 (BOSBIU01)C3H5O2Cl3Ge
  3947 Germanium tetrachloride, cationCl4Ge
  3948 Germanium tetrachloride (Geo)Cl4Ge
  3949 Germanium tetrachlorideCl4Ge


ΔHf: -89.1 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
GeCl2S2 (CTTGER)
 H=-89.1 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Cl     2.14593389 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.19193098 +1   94.7326801 +1    0.0000000 +0     1     2     0
  S     2.15471007 +1  116.5227345 +1  101.8594868 +1     1     2     3
  C     3.47715533 +1   95.5081186 +1  104.1330704 +1     1     2     4
  C     1.51397690 +1   65.0425574 +1   82.8156966 +1     5     1     2
  S     1.83538653 +1   53.3286631 +1 -143.4058726 +1     5     1     6
  S     1.83125077 +1  113.2652172 +1   34.9797529 +1     6     5     1
  H     2.38394263 +1  127.9230239 +1  117.7642088 +1     4     1     2
  H     1.76340007 +1   70.6751382 +1   25.4632555 +1     9     4     1
  H     2.38344712 +1  129.1470360 +1 -110.5843787 +1     7     5     1
  H     1.76560175 +1   70.5404486 +1   -5.9407738 +1    11     7     5
  H     1.10633299 +1  102.1074308 +1 -107.7413607 +1     5     1     7
  H     1.11047892 +1  151.2841759 +1  163.7920446 +1     5     1    13
  H     1.11156189 +1  112.1008044 +1 -125.2506353 +1     6     5     8
  H     1.11330521 +1  110.4071334 +1 -116.8909968 +1     6     5    15
  C     1.10840844 +1   37.5468781 +1  -44.5152137 +1    10     9     4
  C     1.10701063 +1   37.4992267 +1   44.3222544 +1    12    11     7