Accuracy

geh3ncsr   3916 Germyl isothiocyanate (Geo)

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    #  Species Formula
  3906 GeF4N2 (HUMCOH) (Geo)C10H10N2F4Ge
  3907 GeF4N2 (HUMCOH)C10H10N2F4Ge
  3908 GeF6(2-) (IWOQOA) (Geo)F6Ge
  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


REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
  
 PM7
Germyl isothiocyanate
 <Ge-H> <Ge-N> <H-Ge-N> <C-N> GR=CHIK1986 GWT=0.2
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Ge     1.52000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.81700000 +1  106.9000000 +1    0.0000000 +0     2     1     0
  C     1.14400000 +1  179.4197337 +1   45.3306880 +1     3     2     1
  S     1.59155118 +1  179.6690453 +1  -85.3369557 +1     4     3     1
  H     1.51352605 +1  113.3254629 +1  120.0000000 +0     2     1     3
  H     1.52232657 +1  111.0289575 +1 -113.9698056 +1     2     1     3