Accuracy

ges2o2cl(-) (cutkor)   3929 GeS2O2Cl(-) (CUTKOR)

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    #  Species Formula
  3919 GeC2S2 (ASOWAG)C6H6N2S2Ge
  3920 Germanium chlorideClGe
  3921 ChlorogermaneH3ClGe
  3922 Chlorogermane (Geo)H3ClGe
  3923 Trimethylchlorogermane (Geo)C3H9ClGe
  3924 TrimethylchlorogermaneC3H9ClGe
  3925 GeO4Cl(-) (CLDXGE) (Geo)C12H8O4ClGe
  3926 GeO4Cl(-) (CLDXGE)C12H8O4ClGe
  3927 Chlorotrifluorogermane (Geo)F3ClGe
  3928 GeS2O2Cl(-) (CUTKOR) (Geo)C12H8O2S2ClGe
  3929 GeS2O2Cl(-) (CUTKOR) C12H8O2S2ClGe
  3930 GeCl2 (DIOXGC) (Geo)Cl2Ge
  3931 GeCl2 (DIOXGC)Cl2Ge
  3932 Germanium dichloride (Geo)Cl2Ge
  3933 Germanium dichlorideCl2Ge
  3934 Dimethylgermanium dichlorideC2H6Cl2Ge
  3935 Dimethylgermanium dichloride (Geo)C2H6Cl2Ge
  3936 GeCl2S2 (CTTGER) (Geo)C4H8S3Cl2Ge
  3937 GeCl2S2 (CTTGER)C4H8S3Cl2Ge
  3938 GeCl3(-) (FASSUO) (Geo)Cl3Ge
  3939 GeCl3(-) (FASSUO)Cl3Ge


ΔHf: -155.9 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.
  
 CHARGE=-1 PULAY PM7
GeS2O2Cl(-) (CUTKOR)
 H=-155.9 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.85062307 +1    0.0000000 +0    0.0000000 +0     1     0     0
  S     2.19051641 +1   90.1567237 +1    0.0000000 +0     1     2     0
 Cl     2.17240392 +1   89.4198989 +1  112.5164863 +1     1     2     3
  O     1.84966373 +1  178.9230958 +1   11.7048951 +1     1     2     4
  C     1.29172507 +1  118.9953668 +1   -8.1524531 +1     2     1     3
  C     1.42298602 +1  119.1472251 +1    7.3522684 +1     6     2     1
  C     1.38309797 +1  119.7225217 +1  178.9652333 +1     7     6     2
  C     1.39804459 +1  119.9973218 +1   -0.1476525 +1     8     7     6
  C     1.39648649 +1  120.1863063 +1    0.2322660 +1     9     8     7
  C     1.40811809 +1  120.6895855 +1  178.9933000 +1     6     2     7
  C     1.29160535 +1  119.1425454 +1  105.0146326 +1     5     1     4
  C     1.42298934 +1  119.1447845 +1    6.9041973 +1    12     5     1
  C     1.38300619 +1  119.7189943 +1  179.0920115 +1    13    12     5
  C     1.39804739 +1  119.9845314 +1   -0.2410113 +1    14    13    12
  C     1.39641877 +1  120.2015233 +1    0.2748286 +1    15    14    13
  C     1.40811063 +1  120.6689358 +1  179.0574979 +1    12     5    13
  H     1.08866061 +1  120.8986161 +1  179.9772631 +1     8     7     9
  H     1.08091728 +1  119.8324408 +1  179.8217712 +1     9     8    10
  H     1.08720755 +1  119.3593600 +1  179.7547803 +1    10     9     8
  H     1.08212346 +1  119.0155948 +1    1.4167940 +1    11     6     2
  H     1.08864315 +1  120.9055264 +1  179.9577577 +1    14    13    15
  H     1.08094402 +1  119.8246712 +1  179.8390650 +1    15    14    16
  H     1.08716978 +1  119.3683886 +1  179.8222297 +1    16    15    14
  H     1.08205877 +1  119.0427189 +1    1.3817096 +1    17    12     5
  S     1.75497930 +1  116.5230965 +1  179.7810807 +1    13    12    14