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

sb(et)3r   5621 Triethyl stibine (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5611 Antimony, dicationSb
  5612 Antimony, cationSb
  5613 Antimony, atomSb
  5614 Stibine (Geo)H3Sb
  5615 StibineH3Sb
  5616 Trimethyl stibine (Geo)C3H9Sb
  5617 Trimethyl stibineC3H9Sb
  5618 TrimethylstibineC3H9Sb
  5619 Sb(V)C4(+) (BOHSIA) (Geo)C4H12Sb
  5620 Sb(V)C4(+) (BOHSIA)C4H12Sb
  5621 Triethyl stibine (Geo) C6H15Sb
  5622 TriethylstibineC6H15Sb
  5623 Triphenyl stibine (Geo)C18H15Sb
  5624 TriphenylstibineC18H15Sb
  5625 Antimony nitrideNSb
  5626 Sb(III)C3 (AFUTAW) (Geo)C3H6NSb
  5627 Sb(III)C3 (AFUTAW)C3H6NSb
  5628 Antimony oxideOSb
  5629 [Sb(V)Me3.2(H2O)](2+)C3H13O2Sb
  5630 Sb(III)O3 (FEPWUS) (Geo)C3H9O3Sb
  5631 Sb(III)O3 (FEPWUS)C3H9O3Sb


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
Triethyl stibine
 <Sb-C> <> <C-Sb-C> GR=PW91D
 Sb     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.22285600 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.21006776 +1   98.8861490 +1    0.0000000 +0     1     2     0
  C     2.21187584 +1   93.8604357 +1   98.3541403 +1     1     2     3
  C     1.53750989 +1  120.7509315 +1 -172.6934418 +1     2     1     3
  H     1.11871978 +1  106.7262601 +1  124.0761382 +1     2     1     5
  H     1.11972455 +1  106.1947503 +1  112.5482383 +1     2     1     6
  C     1.53641925 +1  122.2524789 +1   46.1395075 +1     3     1     2
  H     1.12043812 +1  105.5257833 +1  123.9831226 +1     3     1     8
  H     1.11999266 +1  105.8305483 +1  111.6843422 +1     3     1     9
  C     1.53737123 +1  120.9261324 +1 -177.7344886 +1     4     1     2
  H     1.11850321 +1  106.7874611 +1  124.3341955 +1     4     1    11
  H     1.11992656 +1  105.7823855 +1  112.4887012 +1     4     1    12
  H     1.10244237 +1  109.4744943 +1  179.5036862 +1     5     2     1
  H     1.09896657 +1  113.9555653 +1 -118.0520909 +1     5     2    14
  H     1.09960854 +1  113.7619420 +1 -123.8479884 +1     5     2    15
  H     1.10260865 +1  109.4525287 +1 -178.7724466 +1     8     3     1
  H     1.09933758 +1  113.7227881 +1 -117.9827974 +1     8     3    17
  H     1.09876761 +1  114.0390284 +1 -123.9865698 +1     8     3    18
  H     1.09905419 +1  113.8981884 +1   61.2834145 +1    11     4     1
  H     1.09941288 +1  113.7281832 +1 -123.7370152 +1    11     4    20
  H     1.10221609 +1  109.4638836 +1 -118.0990079 +1    11     4    21