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Geometry for Ga2H6 (digallane) 1AG D2H

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

LSDA/6-31+G**


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.2410 0.0000 0.0000   1.2410 0.0000 0.0000
Ga2 -1.2410 0.0000 0.0000   -1.2410 0.0000 0.0000
H3 0.0000 0.0000 1.1829   0.0000 0.0000 1.1829
H4 0.0000 0.0000 -1.1829   0.0000 0.0000 -1.1829
H5 1.8881 1.4100 0.0000   1.8881 1.4100 0.0000
H6 1.8881 -1.4100 0.0000   1.8881 -1.4100 0.0000
H7 -1.8881 1.4100 0.0000   -1.8881 1.4100 0.0000
H8 -1.8881 -1.4100 0.0000   -1.8881 -1.4100 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.4819 1.7144 1.7144 1.5514 1.5514 3.4320 3.4320
Ga2 2.4819 1.7144 1.7144 3.4320 3.4320 1.5514 1.5514
H3 1.7144 1.7144 2.3658 2.6367 2.6367 2.6367 2.6367
H4 1.7144 1.7144 2.3658 2.6367 2.6367 2.6367 2.6367
H5 1.5514 3.4320 2.6367 2.6367 2.8199 3.7761 4.7129
H6 1.5514 3.4320 2.6367 2.6367 2.8199 4.7129 3.7761
H7 3.4320 1.5514 2.6367 2.6367 3.7761 4.7129 2.8199
H8 3.4320 1.5514 2.6367 2.6367 4.7129 3.7761 2.8199
Maximum atom distance is 4.7129Å 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 43.628 Ga1 Ga2 H4 43.628
Ga1 Ga2 H7 114.653 Ga1 Ga2 H8 114.653
Ga1 H3 Ga2 92.745 Ga1 H4 Ga2 92.745
Ga2 Ga1 H3 43.628 Ga2 Ga1 H4 43.628
Ga2 Ga1 H5 114.653 Ga2 Ga1 H6 114.653
H3 Ga1 H4 87.255 H3 Ga1 H5 107.573
H3 Ga1 H6 107.573 H3 Ga2 H4 87.255
H3 Ga2 H7 107.573 H3 Ga2 H8 107.573
H4 Ga1 H5 107.573 H4 Ga1 H6 107.573
H4 Ga2 H7 107.573 H4 Ga2 H8 107.573
H5 Ga1 H6 130.695 H7 Ga2 H8 130.695

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