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

gec2s2 (asowag)   3921 GeC2S2 (ASOWAG)

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    #  Species Formula
  3911 GeF6(2-) (IWOQOA)F6Ge
  3912 GeC3F2(-) (FEXFUJ) (Geo)C3F11Ge
  3913 GeC3F2(-) (FEXFUJ)C3F11Ge
  3914 Germylsilane (Geo)H6SiGe
  3915 GeF3-SiF3 (Geo)F6SiGe
  3916 Germanium sulfideSGe
  3917 Germanium sulfide (Geo)SGe
  3918 Germyl isothiocyanate (Geo)CH3NSGe
  3919 Difluoro(germylthio)phosphine (Geo)H3F2PSGe
  3920 GeC2S2 (ASOWAG) (Geo)C6H6N2S2Ge
  3921 GeC2S2 (ASOWAG) C6H6N2S2Ge
  3922 Germanium chlorideClGe
  3923 ChlorogermaneH3ClGe
  3924 Chlorogermane (Geo)H3ClGe
  3925 Trimethylchlorogermane (Geo)C3H9ClGe
  3926 TrimethylchlorogermaneC3H9ClGe
  3927 GeO4Cl(-) (CLDXGE) (Geo)C12H8O4ClGe
  3928 GeO4Cl(-) (CLDXGE)C12H8O4ClGe
  3929 Chlorotrifluorogermane (Geo)F3ClGe
  3930 GeS2O2Cl(-) (CUTKOR) (Geo)C12H8O2S2ClGe
  3931 GeS2O2Cl(-) (CUTKOR)C12H8O2S2ClGe


ΔHf: 76.5 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
GeC2S2 (ASOWAG)
 H=76.5 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     2.26036685 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.90531449 +1  114.5149211 +1    0.0000000 +0     1     2     0
  C     1.90505447 +1  114.5595963 +1 -134.8685370 +1     1     2     3
  C     1.77146488 +1   83.6444645 +1 -112.0777390 +1     2     1     3
  C     1.34982708 +1  124.1112849 +1  179.6375855 +1     5     2     1
  C     1.42089027 +1  122.3486109 +1  179.9368161 +1     6     5     2
  H     1.09353628 +1  110.8601789 +1   44.4627813 +1     3     1     2
  H     1.09332462 +1  110.1262455 +1 -120.0963469 +1     3     1     8
  H     1.09353180 +1  110.8672386 +1  -42.8449049 +1     4     1     2
  H     1.09344242 +1  110.0498050 +1 -120.0584653 +1     4     1    10
  S     1.77139452 +1  111.8191273 +1  179.9236718 +1     5     2     6
  H     1.09330851 +1  110.0788184 +1 -119.7807531 +1     3     1     9
  H     1.09325018 +1  110.1533489 +1 -119.7689095 +1     4     1    11
  C     1.42100892 +1  122.2810208 +1  179.9170554 +1     6     5     7
  N     1.15722125 +1  152.2601956 +1  179.9644625 +1    15     5     6
  N     1.15717622 +1  152.3654940 +1 -179.9705914 +1     7     5     6