Accuracy

gec2s2 (asowag)   3919 GeC2S2 (ASOWAG)

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    #  Species Formula
  3909 GeF6(2-) (IWOQOA)F6Ge
  3910 GeC3F2(-) (FEXFUJ) (Geo)C3F11Ge
  3911 GeC3F2(-) (FEXFUJ)C3F11Ge
  3912 Germylsilane (Geo)H6SiGe
  3913 GeF3-SiF3 (Geo)F6SiGe
  3914 Germanium sulfideSGe
  3915 Germanium sulfide (Geo)SGe
  3916 Germyl isothiocyanate (Geo)CH3NSGe
  3917 Difluoro(germylthio)phosphine (Geo)H3F2PSGe
  3918 GeC2S2 (ASOWAG) (Geo)C6H6N2S2Ge
  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


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