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Geometry for Ga2H6 (digallane) 1AG D2H

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

LSDA/6-31G*


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.2439 0.0000 0.0000   1.2439 0.0000 0.0000
Ga2 -1.2439 0.0000 0.0000   -1.2439 0.0000 0.0000
H3 0.0000 0.0000 1.1991   0.0000 0.0000 1.1991
H4 0.0000 0.0000 -1.1991   0.0000 0.0000 -1.1991
H5 1.8839 1.4037 0.0000   1.8839 1.4037 0.0000
H6 1.8839 -1.4037 0.0000   1.8839 -1.4037 0.0000
H7 -1.8839 1.4037 0.0000   -1.8839 1.4037 0.0000
H8 -1.8839 -1.4037 0.0000   -1.8839 -1.4037 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.4878 1.7277 1.7277 1.5427 1.5427 3.4284 3.4284
Ga2 2.4878 1.7277 1.7277 3.4284 3.4284 1.5427 1.5427
H3 1.7277 1.7277 2.3981 2.6377 2.6377 2.6377 2.6377
H4 1.7277 1.7277 2.3981 2.6377 2.6377 2.6377 2.6377
H5 1.5427 3.4284 2.6377 2.6377 2.8074 3.7678 4.6987
H6 1.5427 3.4284 2.6377 2.6377 2.8074 4.6987 3.7678
H7 3.4284 1.5427 2.6377 2.6377 3.7678 4.6987 2.8074
H8 3.4284 1.5427 2.6377 2.6377 4.6987 3.7678 2.8074
Maximum atom distance is 4.6987Å 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 43.948 Ga1 Ga2 H4 43.948
Ga1 Ga2 H7 114.510 Ga1 Ga2 H8 114.510
Ga1 H3 Ga2 92.103 Ga1 H4 Ga2 92.103
Ga2 Ga1 H3 43.948 Ga2 Ga1 H4 43.948
Ga2 Ga1 H5 114.510 Ga2 Ga1 H6 114.510
H3 Ga1 H4 87.897 H3 Ga1 H5 107.378
H3 Ga1 H6 107.378 H3 Ga2 H4 87.897
H3 Ga2 H7 107.378 H3 Ga2 H8 107.378
H4 Ga1 H5 107.378 H4 Ga1 H6 107.378
H4 Ga2 H7 107.378 H4 Ga2 H8 107.378
H5 Ga1 H6 130.979 H7 Ga2 H8 130.979

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