Accuracy

gef4n2 (humcoh)   3907 GeF4N2 (HUMCOH)

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    #  Species Formula
  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
  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


ΔHf: -252.3 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
GeF4N2 (HUMCOH)
 H=-252.3 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.48029889 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.48066979 +1   89.8576919 +1    0.0000000 +0     1     2     0
  N     2.19260509 +1   89.9932797 +1   90.0794757 +1     1     2     3
  C     1.34752141 +1  120.2051233 +1  -44.2451154 +1     4     1     2
  H     1.10108748 +1  116.7446378 +1   -0.1253650 +1     5     4     1
  C     1.34739057 +1  120.1936025 +1  179.8991456 +1     4     1     5
  H     1.10095187 +1  116.7686341 +1    0.0225590 +1     7     4     1
  C     1.40106408 +1  121.7046645 +1 -179.9557409 +1     5     4     6
  H     1.08582103 +1  120.1165692 +1 -179.9931566 +1     9     5     4
  C     1.40104123 +1  121.6958465 +1 -179.9546102 +1     7     4     8
  H     1.08576376 +1  120.0929724 +1 -179.9888445 +1    11     7     4
  C     1.39281642 +1  118.9143516 +1 -179.9956500 +1    11     7    12
  H     1.08908281 +1  120.4302177 +1  179.9885398 +1    13    11     7
  F     1.48033161 +1   89.9504991 +1  179.9061182 +1     1     4     2
  F     1.47888519 +1   90.1444364 +1  122.7999585 +1     1     2     6
  N     2.19421080 +1   90.0484903 +1   89.9340963 +1     1     2    16
  C     1.34742667 +1  120.1850316 +1 -135.8604478 +1    17     1     2
  H     1.10090930 +1  116.7605279 +1    0.0788616 +1    18    17     1
  C     1.40110528 +1  121.6870580 +1  179.9988109 +1    18    17    19
  H     1.08580810 +1  120.0876104 +1 -179.9772068 +1    20    18    17
  C     1.39291067 +1  118.9199501 +1 -179.9907999 +1    20    18    21
  C     1.39296198 +1  119.1762764 +1   -0.0122319 +1    22    20    18
  C     1.34744701 +1  120.2097003 +1 -179.8771335 +1    17     1    18
  H     1.10101116 +1  116.7336140 +1   -0.0693715 +1    24    17     1
  H     1.08582793 +1  120.9647799 +1  179.9801245 +1    23    22    20
  H     1.08904430 +1  120.4334796 +1 -179.9981542 +1    22    20    23