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Geometry for Ga2H6 (digallane) 1AG D2H

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

PBEPBEultrafine/6-31G*


Point group is D2h
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Ga1 1.2814 0.0000 0.0000   1.2814 0.0000 0.0000
Ga2 -1.2814 0.0000 0.0000   -1.2814 0.0000 0.0000
H3 0.0000 0.0000 1.2039   0.0000 0.0000 1.2039
H4 0.0000 0.0000 -1.2039   0.0000 0.0000 -1.2039
H5 1.9266 1.4160 0.0000   1.9266 1.4160 0.0000
H6 1.9266 -1.4160 0.0000   1.9266 -1.4160 0.0000
H7 -1.9266 1.4160 0.0000   -1.9266 1.4160 0.0000
H8 -1.9266 -1.4160 0.0000   -1.9266 -1.4160 0.0000
Atom - Atom Distances (Å)
  Ga1 Ga2 H3 H4 H5 H6 H7 H8
Ga1 2.5629 1.7582 1.7582 1.5561 1.5561 3.5066 3.5066
Ga2 2.5629 1.7582 1.7582 3.5066 3.5066 1.5561 1.5561
H3 1.7582 1.7582 2.4078 2.6770 2.6770 2.6770 2.6770
H4 1.7582 1.7582 2.4078 2.6770 2.6770 2.6770 2.6770
H5 1.5561 3.5066 2.6770 2.6770 2.8320 3.8531 4.7819
H6 1.5561 3.5066 2.6770 2.6770 2.8320 4.7819 3.8531
H7 3.5066 1.5561 2.6770 2.6770 3.8531 4.7819 2.8320
H8 3.5066 1.5561 2.6770 2.6770 4.7819 3.8531 2.8320
Maximum atom distance is 4.7819Å 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 43.213 Ga1 Ga2 H4 43.213
Ga1 Ga2 H7 114.494 Ga1 Ga2 H8 114.494
Ga1 H3 Ga2 93.574 Ga1 H4 Ga2 93.574
Ga2 Ga1 H3 43.213 Ga2 Ga1 H4 43.213
Ga2 Ga1 H5 114.494 Ga2 Ga1 H6 114.494
H3 Ga1 H4 86.426 H3 Ga1 H5 107.587
H3 Ga1 H6 107.587 H3 Ga2 H4 86.426
H3 Ga2 H7 107.587 H3 Ga2 H8 107.587
H4 Ga1 H5 107.587 H4 Ga1 H6 107.587
H4 Ga2 H7 107.587 H4 Ga2 H8 107.587
H5 Ga1 H6 131.012 H7 Ga2 H8 131.012

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