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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 GaN (Gallium mononitride)
3Π C*V
1910171554
InChI=1S/Ga.N INChIKey=JMASRVWKEDWRBT-UHFFFAOYSA-N
B3LYP/aug-cc-pVTZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Ga1 |
0.0000 |
0.0000 |
0.3433 |
N2 |
0.0000 |
0.0000 |
-1.5203 |
Atom - Atom Distances (Å)
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Ga1 |
N2 |
Ga1 |
| 1.8636 |
N2 |
1.8636 |
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Maximum atom distance is 1.8636Å
between atoms Ga1 and N2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.