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Geometry for Ga2H6 (digallane) 1AG D2H

1910171554
InChI=1S/2Ga.6H INChIKey=GFQCQFDOQMRGIQ-UHFFFAOYSA-N

B3PW91/6-31G(2df,p)


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.2683 0.0000 0.0000   1.2683 0.0000 0.0000
Ga2 -1.2683 0.0000 0.0000   -1.2683 0.0000 0.0000
H3 0.0000 0.0000 1.1765   0.0000 0.0000 1.1765
H4 0.0000 0.0000 -1.1765   0.0000 0.0000 -1.1765
H5 1.9217 1.4063 0.0000   1.9217 1.4063 0.0000
H6 1.9217 -1.4063 0.0000   1.9217 -1.4063 0.0000
H7 -1.9217 1.4063 0.0000   -1.9217 1.4063 0.0000
H8 -1.9217 -1.4063 0.0000   -1.9217 -1.4063 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.5366 1.7300 1.7300 1.5507 1.5507 3.4863 3.4863
Ga2 2.5366 1.7300 1.7300 3.4863 3.4863 1.5507 1.5507
H3 1.7300 1.7300 2.3531 2.6561 2.6561 2.6561 2.6561
H4 1.7300 1.7300 2.3531 2.6561 2.6561 2.6561 2.6561
H5 1.5507 3.4863 2.6561 2.6561 2.8127 3.8434 4.7627
H6 1.5507 3.4863 2.6561 2.6561 2.8127 4.7627 3.8434
H7 3.4863 1.5507 2.6561 2.6561 3.8434 4.7627 2.8127
H8 3.4863 1.5507 2.6561 2.6561 4.7627 3.8434 2.8127
Maximum atom distance is 4.7627Å between atoms H5 and H8.
picture of digallane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Ga1 Ga2 H3 42.851 Ga1 Ga2 H4 42.851
Ga1 Ga2 H7 114.921 Ga1 Ga2 H8 114.921
Ga1 H3 Ga2 94.298 Ga1 H4 Ga2 94.298
Ga2 Ga1 H3 42.851 Ga2 Ga1 H4 42.851
Ga2 Ga1 H5 114.921 Ga2 Ga1 H6 114.921
H3 Ga1 H4 85.702 H3 Ga1 H5 107.994
H3 Ga1 H6 107.994 H3 Ga2 H4 85.702
H3 Ga2 H7 107.994 H3 Ga2 H8 107.994
H4 Ga1 H5 107.994 H4 Ga1 H6 107.994
H4 Ga2 H7 107.994 H4 Ga2 H8 107.994
H5 Ga1 H6 130.158 H7 Ga2 H8 130.158

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.