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Geometry for Ga2H6 (digallane) 1AG D2H

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

BLYP/STO-3G


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.0121 0.0000 0.0000   1.0121 0.0000 0.0000
Ga2 -1.0121 0.0000 0.0000   -1.0121 0.0000 0.0000
H3 0.0000 0.0000 1.2897   0.0000 0.0000 1.2897
H4 0.0000 0.0000 -1.2897   0.0000 0.0000 -1.2897
H5 1.6958 1.1456 0.0000   1.6958 1.1456 0.0000
H6 1.6958 -1.1456 0.0000   1.6958 -1.1456 0.0000
H7 -1.6958 1.1456 0.0000   -1.6958 1.1456 0.0000
H8 -1.6958 -1.1456 0.0000   -1.6958 -1.1456 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.0242 1.6394 1.6394 1.3341 1.3341 2.9402 2.9402
Ga2 2.0242 1.6394 1.6394 2.9402 2.9402 1.3341 1.3341
H3 1.6394 1.6394 2.5794 2.4190 2.4190 2.4190 2.4190
H4 1.6394 1.6394 2.5794 2.4190 2.4190 2.4190 2.4190
H5 1.3341 2.9402 2.4190 2.4190 2.2912 3.3916 4.0930
H6 1.3341 2.9402 2.4190 2.4190 2.2912 4.0930 3.3916
H7 2.9402 1.3341 2.4190 2.4190 3.3916 4.0930 2.2912
H8 2.9402 1.3341 2.4190 2.4190 4.0930 3.3916 2.2912
Maximum atom distance is 4.0930Å 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 51.878 Ga1 Ga2 H4 51.878
Ga1 Ga2 H7 120.830 Ga1 Ga2 H8 120.830
Ga1 H3 Ga2 76.245 Ga1 H4 Ga2 76.245
Ga2 Ga1 H3 51.878 Ga2 Ga1 H4 51.878
Ga2 Ga1 H5 120.830 Ga2 Ga1 H6 120.830
H3 Ga1 H4 103.755 H3 Ga1 H5 108.445
H3 Ga1 H6 108.445 H3 Ga2 H4 103.755
H3 Ga2 H7 108.445 H3 Ga2 H8 108.445
H4 Ga1 H5 108.445 H4 Ga1 H6 108.445
H4 Ga2 H7 108.445 H4 Ga2 H8 108.445
H5 Ga1 H6 118.339 H7 Ga2 H8 118.339

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