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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 ICN (Cyanogen iodide)
1Σ C*V
1910171554
InChI=1S/CIN/c2-1-3 INChIKey=WPBXOELOQKLBDF-UHFFFAOYSA-N
MP4/3-21G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
I1 |
0.0000 |
0.0000 |
0.5328 |
C2 |
0.0000 |
0.0000 |
-1.5312 |
N3 |
0.0000 |
0.0000 |
-2.7218 |
Atom - Atom Distances (Å)
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I1 |
C2 |
N3 |
I1 |
| 2.0640 |
3.2547 |
C2 |
2.0640 |
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1.1907 |
N3 |
3.2547 |
1.1907 |
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Maximum atom distance is 3.2547Å
between atoms I1 and N3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
I1 |
C2 |
N3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.