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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 LiCN (lithium cyanide)
1Σ C*V LiCN
1910171554
InChI=1S/CN.Li/c1-2; INChIKey=KRPAPDCTWMTYHU-UHFFFAOYSA-N
MP3=FULL/aug-cc-pVDZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Li1 |
0.0000 |
0.0000 |
-2.0696 |
C2 |
0.0000 |
0.0000 |
-0.1554 |
N3 |
0.0000 |
0.0000 |
1.0202 |
Atom - Atom Distances (Å)
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Li1 |
C2 |
N3 |
Li1 |
| 1.9142 |
3.0898 |
C2 |
1.9142 |
|
1.1756 |
N3 |
3.0898 |
1.1756 |
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Maximum atom distance is 3.0898Å
between atoms Li1 and N3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Li1 |
C2 |
N3 |
180.000 |
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Li1 |
N3 |
C2 |
0.000 |
C2 |
Li1 |
N3 |
0.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.