Accuracy

geno3f (gaqmeq)   3895 GeNO3F (GAQMEQ)

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    #  Species Formula
  3885 TetramethoxygermaniumC4H12O4Ge
  3886 TetraethoxygermaniumC8H20O4Ge
  3887 GeO6(+) (ACACGE) (Geo)C15H21O6Ge
  3888 GeO6(+) (ACACGE)C15H21O6Ge
  3889 Germanium fluoride (Geo)FGe
  3890 Germanium fluorideFGe
  3891 FluorogermaneH3FGe
  3892 Fluorogermane (Geo)H3FGe
  3893 Methylgermanium fluoride dihydride (Geo)CH5FGe
  3894 GeNO3F (GAQMEQ) (Geo)C6H12NO3FGe
  3895 GeNO3F (GAQMEQ) C6H12NO3FGe
  3896 GeN4F(-) (BEGLII) (Geo)C12H8O4FGe
  3897 GeN4F(-) (BEGLII)C12H8O4FGe
  3898 Germanium difluoride (Geo)F2Ge
  3899 Germanium difluorideF2Ge
  3900 Dimethylgermanium difluoride (Geo)C2H6F2Ge
  3901 GeC2O2F2 (LIBZAX) (Geo)C14H24N2O2F2Ge
  3902 GeC2O2F2 (LIBZAX)C14H24N2O2F2Ge
  3903 Trifluoromethylgermane (Geo)CH3F3Ge
  3904 MethyltrifluorogermaneCH3F3Ge
  3905 Germanium tetrafluorideF4Ge


ΔHf: -215.3 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
GeNO3F (GAQMEQ)
 H=-215.3 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.40134046 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.73518710 +1   96.9389269 +1    0.0000000 +0     1     2     0
  N     2.20529648 +1   82.9322987 +1 -179.9334336 +1     1     3     2
  C     1.48102289 +1  105.1740513 +1 -117.1704692 +1     4     1     3
  C     1.56385443 +1  106.0331171 +1  -24.1904762 +1     5     4     1
  O     1.37286020 +1  109.5091302 +1   43.5402413 +1     6     5     4
  O     1.73502168 +1   97.0961413 +1  120.0362226 +1     1     2     3
  C     1.37265814 +1  118.3021121 +1 -155.0597457 +1     8     1     2
  C     1.48117461 +1  105.2209122 +1 -119.9966043 +1     4     1     5
  H     2.03405540 +1  107.6909881 +1 -124.1472929 +1     3     1     2
  H     1.11021052 +1  110.2821242 +1  117.2211317 +1     5     4     6
  H     1.10752602 +1  110.7528199 +1  115.7499690 +1     6     5     7
  H     1.10703604 +1  109.8384564 +1   75.8013855 +1     9     8     1
  H     1.11017314 +1  110.3144406 +1   93.1433656 +1    10     4     1
  H     1.81647772 +1   61.5310219 +1 -152.1475624 +1    11     3     1
  H     2.41518953 +1   93.1019682 +1   74.9120986 +1    16    11     3
  H     1.78543393 +1   77.9723930 +1   41.9190593 +1    17    16    11
  H     1.10700419 +1  111.1287277 +1  122.8178741 +1     6     5    13
  H     1.10742468 +1  105.3675926 +1  118.6650314 +1     9     8    14
  H     1.10318677 +1  113.1702818 +1  120.5529343 +1     5     4    12
  H     1.10327616 +1  113.1654103 +1  120.5283547 +1    10     4    15
  C     1.10736885 +1   34.8806108 +1  -34.2482802 +1    16    11    17
  C     1.10332057 +1   36.3605308 +1  -65.7692054 +1    18    17    16