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

gen4f(-) (beglii)   3899 GeN4F(-) (BEGLII)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3889 GeO6(+) (ACACGE) (Geo)C15H21O6Ge
  3890 GeO6(+) (ACACGE)C15H21O6Ge
  3891 Germanium fluoride (Geo)FGe
  3892 Germanium fluorideFGe
  3893 FluorogermaneH3FGe
  3894 Fluorogermane (Geo)H3FGe
  3895 Methylgermanium fluoride dihydride (Geo)CH5FGe
  3896 GeNO3F (GAQMEQ) (Geo)C6H12NO3FGe
  3897 GeNO3F (GAQMEQ)C6H12NO3FGe
  3898 GeN4F(-) (BEGLII) (Geo)C12H8O4FGe
  3899 GeN4F(-) (BEGLII) C12H8O4FGe
  3900 Germanium difluoride (Geo)F2Ge
  3901 Germanium difluorideF2Ge
  3902 Dimethylgermanium difluoride (Geo)C2H6F2Ge
  3903 GeC2O2F2 (LIBZAX) (Geo)C14H24N2O2F2Ge
  3904 GeC2O2F2 (LIBZAX)C14H24N2O2F2Ge
  3905 Trifluoromethylgermane (Geo)CH3F3Ge
  3906 MethyltrifluorogermaneCH3F3Ge
  3907 Germanium tetrafluorideF4Ge
  3908 GeF4N2 (HUMCOH) (Geo)C10H10N2F4Ge
  3909 GeF4N2 (HUMCOH)C10H10N2F4Ge


ΔHf: -278.1 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.
  
 CHARGE=-1 PM7
GeN4F(-) (BEGLII)
 H=-278.1 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  F     1.38510627 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.82180726 +1   95.5965949 +1    0.0000000 +0     1     2     0
  O     1.82292951 +1   95.3758926 +1 -179.9864041 +1     1     2     3
  O     1.79127324 +1  112.8774851 +1   88.5545865 +1     1     2     4
  O     1.79112169 +1  112.7671407 +1 -179.8534675 +1     1     2     5
  C     1.31164489 +1  110.5815715 +1 -110.9747498 +1     3     1     2
  C     1.31969112 +1  111.1873842 +1   93.9131830 +1     5     1     2
  C     1.37986010 +1  124.5819710 +1 -179.0932538 +1     8     5     1
  C     1.40907615 +1  117.9669462 +1 -179.9270355 +1     9     8     5
  C     1.38412974 +1  121.2844135 +1    0.2255230 +1    10     9     8
  C     1.38269966 +1  125.1483118 +1  178.8202655 +1     7     3     1
  C     1.31138399 +1  110.5716471 +1 -110.7852897 +1     4     1     2
  C     1.31966026 +1  111.2156975 +1   93.5664531 +1     6     1     2
  C     1.37972500 +1  124.5776287 +1 -179.0072145 +1    14     6     1
  C     1.40910137 +1  117.9592526 +1 -179.9236813 +1    15    14     6
  C     1.38408861 +1  121.2968742 +1    0.2374701 +1    16    15    14
  C     1.38269883 +1  125.1485444 +1  178.7518895 +1    13     4     1
  H     1.08031122 +1  120.9828201 +1 -179.8091668 +1     9     8    10
  H     1.08308680 +1  118.6636217 +1  179.9697059 +1    10     9    11
  H     1.08381612 +1  119.9439467 +1  179.9952372 +1    11    10     9
  H     1.07980695 +1  120.8107232 +1   -0.3909542 +1    12     7     3
  H     1.08028858 +1  121.0078870 +1 -179.7700190 +1    15    14    16
  H     1.08306076 +1  118.6566919 +1 -179.9959722 +1    16    15    17
  H     1.08377826 +1  119.9493731 +1 -179.9813795 +1    17    16    15
  H     1.07978771 +1  120.8156204 +1   -0.3539634 +1    18    13     4