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

geo6(plus) (acacge)   3890 GeO6(+) (ACACGE)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  3880 Germanium oxide (Geo)OGe
  3881 Germanium oxideOGe
  3882 MethoxytrimethylgermaneC4H12OGe
  3883 EthoxytrimethylgermaneC5H14OGe
  3884 Germyl isocyanate (Geo)CH3NOGe
  3885 DimethoxydimethylgermaneC4H12O2Ge
  3886 TrimethoxymethylgermaneC4H12O3Ge
  3887 TetramethoxygermaniumC4H12O4Ge
  3888 TetraethoxygermaniumC8H20O4Ge
  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


ΔHf: -168.7 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
GeO6(+) (ACACGE)
 H=-168.7 HR=PW91D
 Ge     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.78822692 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     1.78796964 +1   96.0960386 +1    0.0000000 +0     1     2     0
  O     1.78867326 +1   87.8696613 +1   88.0323869 +1     1     2     3
  O     1.78815808 +1   96.1719975 +1 -176.1128535 +1     1     4     2
  O     1.78801227 +1   87.9470188 +1   87.9097064 +1     1     2     4
  O     1.78818960 +1   88.3398787 +1   96.2198333 +1     1     2     6
  C     1.27572895 +1  126.9698784 +1   -1.1754031 +1     2     1     3
  C     1.39357299 +1  123.9131471 +1    2.1055012 +1     8     2     1
  C     1.27568965 +1  126.9781698 +1   -0.7908747 +1     3     1     2
  C     1.27557509 +1  126.8840839 +1  174.8797622 +1     4     1     2
  C     1.39355040 +1  123.9416711 +1    1.9781476 +1    11     4     1
  C     1.27570569 +1  126.9154990 +1  175.6611798 +1     5     1     7
  C     1.27569117 +1  126.9428091 +1   86.9812226 +1     6     1     2
  C     1.39350968 +1  123.9013932 +1    2.1599103 +1    14     6     1
  C     1.27572535 +1  126.9034386 +1  -88.6808250 +1     7     1     2
  C     1.49060122 +1  113.1855346 +1  179.4640723 +1     8     2     9
  C     1.49062170 +1  113.1631753 +1 -178.8213559 +1    10     3     1
  C     1.49070185 +1  113.1854719 +1  179.4941192 +1    11     4    12
  C     1.49066149 +1  113.1642386 +1 -179.0981581 +1    13     5     1
  C     1.49057745 +1  113.1867886 +1  179.4615724 +1    14     6    15
  C     1.49065272 +1  113.1580856 +1 -178.4954317 +1    16     7     1
  H     1.08809312 +1  118.9445517 +1  179.0031042 +1     9     8     2
  H     1.08807352 +1  118.9208078 +1  179.1302051 +1    12    11     4
  H     1.08810218 +1  118.9239526 +1  178.8666792 +1    15    14     6
  H     1.10409401 +1  112.3926482 +1   -1.0464821 +1    17     8     2
  H     1.10265121 +1  111.4577925 +1 -120.5806945 +1    17     8    26
  H     1.10373518 +1  111.1005048 +1 -119.5471237 +1    17     8    27
  H     1.10328060 +1  111.3191081 +1  124.1105651 +1    18    10     3
  H     1.10303659 +1  111.2537906 +1  119.5187350 +1    18    10    29
  H     1.10415461 +1  112.3799940 +1  120.2326311 +1    18    10    30
  H     1.10264623 +1  111.4256508 +1 -120.9091932 +1    19    11     4
  H     1.10405064 +1  112.3989895 +1  120.5312919 +1    19    11    32
  H     1.10362008 +1  111.1326484 +1  119.9294761 +1    19    11    33
  H     1.10411350 +1  112.3907314 +1    0.5682208 +1    20    13     5
  H     1.10356412 +1  111.1850031 +1  119.9741426 +1    20    13    35
  H     1.10267093 +1  111.3834329 +1  119.5443988 +1    20    13    36
  H     1.10408168 +1  112.3929171 +1   -1.9622458 +1    21    14     6
  H     1.10253301 +1  111.4953525 +1 -120.6083205 +1    21    14    38
  H     1.10379465 +1  111.0760963 +1 -119.5467671 +1    21    14    39
  H     1.10412141 +1  112.3965598 +1   -1.6602446 +1    22    16     7
  H     1.10257381 +1  111.4810717 +1 -120.6089541 +1    22    16    41
  H     1.10375398 +1  111.0763437 +1 -119.5507271 +1    22    16    42