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Geometry for Ga2H6 (digallane) 1AG D2H

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

BLYP/6-311G**


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.3218 0.0000 0.0000   1.3218 0.0000 0.0000
Ga2 -1.3218 0.0000 0.0000   -1.3218 0.0000 0.0000
H3 0.0000 0.0000 1.1769   0.0000 0.0000 1.1769
H4 0.0000 0.0000 -1.1769   0.0000 0.0000 -1.1769
H5 1.9697 1.4193 0.0000   1.9697 1.4193 0.0000
H6 1.9697 -1.4193 0.0000   1.9697 -1.4193 0.0000
H7 -1.9697 1.4193 0.0000   -1.9697 1.4193 0.0000
H8 -1.9697 -1.4193 0.0000   -1.9697 -1.4193 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.6436 1.7698 1.7698 1.5602 1.5602 3.5844 3.5844
Ga2 2.6436 1.7698 1.7698 3.5844 3.5844 1.5602 1.5602
H3 1.7698 1.7698 2.3539 2.6980 2.6980 2.6980 2.6980
H4 1.7698 1.7698 2.3539 2.6980 2.6980 2.6980 2.6980
H5 1.5602 3.5844 2.6980 2.6980 2.8386 3.9394 4.8555
H6 1.5602 3.5844 2.6980 2.6980 2.8386 4.8555 3.9394
H7 3.5844 1.5602 2.6980 2.6980 3.9394 4.8555 2.8386
H8 3.5844 1.5602 2.6980 2.6980 4.8555 3.9394 2.8386
Maximum atom distance is 4.8555Å 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 41.682 Ga1 Ga2 H4 41.682
Ga1 Ga2 H7 114.536 Ga1 Ga2 H8 114.536
Ga1 H3 Ga2 96.636 Ga1 H4 Ga2 96.636
Ga2 Ga1 H3 41.682 Ga2 Ga1 H4 41.682
Ga2 Ga1 H5 114.536 Ga2 Ga1 H6 114.536
H3 Ga1 H4 83.364 H3 Ga1 H5 108.068
H3 Ga1 H6 108.068 H3 Ga2 H4 83.364
H3 Ga2 H7 108.068 H3 Ga2 H8 108.068
H4 Ga1 H5 108.068 H4 Ga1 H6 108.068
H4 Ga2 H7 108.068 H4 Ga2 H8 108.068
H5 Ga1 H6 130.927 H7 Ga2 H8 130.927

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