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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 CN (Cyano radical)
2Σ C*V
1910171554
InChI=1S/CN/c1-2 INChIKey=JEVCWSUVFOYBFI-UHFFFAOYSA-N
B2PLYP=FULLultrafine/6-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
-0.6372 |
N2 |
0.0000 |
0.0000 |
0.5461 |
Atom - Atom Distances (Å)
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C1 |
N2 |
C1 |
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1.1833 |
N2 |
1.1833 |
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Maximum atom distance is 1.1833Å
between atoms C1 and N2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.