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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 BN (boron nitride)
3Π C*V
1910171554
InChI=1S/BN/c1-2 INChIKey=PZNSFCLAULLKQX-UHFFFAOYSA-N
TPSSh/6-31+G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
B1 |
0.0000 |
0.0000 |
-0.7735 |
N2 |
0.0000 |
0.0000 |
0.5525 |
Atom - Atom Distances (Å)
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B1 |
N2 |
B1 |
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1.3261 |
N2 |
1.3261 |
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Maximum atom distance is 1.3261Å
between atoms B1 and N2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.