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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for GaAs (Gallium arsenide)
3Π C*V
1910171554
InChI=1S/As.Ga INChIKey=JBRZTFJDHDCESZ-UHFFFAOYSA-N
B2PLYP=FULLultrafine/aug-cc-pVDZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Ga1 |
0.0000 |
0.0000 |
-1.3336 |
As2 |
0.0000 |
0.0000 |
1.2528 |
Atom - Atom Distances (Å)
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Ga1 |
As2 |
Ga1 |
| 2.5864 |
As2 |
2.5864 |
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Maximum atom distance is 2.5864Å
between atoms Ga1 and As2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.