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Geometry for Ga2H6 (digallane) 1AG D2H

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

SVWN/3-21G


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.2392 0.0000 0.0000   1.2392 0.0000 0.0000
Ga2 -1.2392 0.0000 0.0000   -1.2392 0.0000 0.0000
H3 0.0000 0.0000 1.2035   0.0000 0.0000 1.2035
H4 0.0000 0.0000 -1.2035   0.0000 0.0000 -1.2035
H5 1.9176 1.3785 0.0000   1.9176 1.3785 0.0000
H6 1.9176 -1.3785 0.0000   1.9176 -1.3785 0.0000
H7 -1.9176 1.3785 0.0000   -1.9176 1.3785 0.0000
H8 -1.9176 -1.3785 0.0000   -1.9176 -1.3785 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.4784 1.7274 1.7274 1.5364 1.5364 3.4447 3.4447
Ga2 2.4784 1.7274 1.7274 3.4447 3.4447 1.5364 1.5364
H3 1.7274 1.7274 2.4070 2.6507 2.6507 2.6507 2.6507
H4 1.7274 1.7274 2.4070 2.6507 2.6507 2.6507 2.6507
H5 1.5364 3.4447 2.6507 2.6507 2.7571 3.8352 4.7234
H6 1.5364 3.4447 2.6507 2.6507 2.7571 4.7234 3.8352
H7 3.4447 1.5364 2.6507 2.6507 3.8352 4.7234 2.7571
H8 3.4447 1.5364 2.6507 2.6507 4.7234 3.8352 2.7571
Maximum atom distance is 4.7234Å 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 44.163 Ga1 Ga2 H4 44.163
Ga1 Ga2 H7 116.204 Ga1 Ga2 H8 116.204
Ga1 H3 Ga2 91.674 Ga1 H4 Ga2 91.674
Ga2 Ga1 H3 44.163 Ga2 Ga1 H4 44.163
Ga2 Ga1 H5 116.204 Ga2 Ga1 H6 116.204
H3 Ga1 H4 88.326 H3 Ga1 H5 108.467
H3 Ga1 H6 108.467 H3 Ga2 H4 88.326
H3 Ga2 H7 108.467 H3 Ga2 H8 108.467
H4 Ga1 H5 108.467 H4 Ga1 H6 108.467
H4 Ga2 H7 108.467 H4 Ga2 H8 108.467
H5 Ga1 H6 127.593 H7 Ga2 H8 127.593

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