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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 LiC (Lithium Carbide)
4Σ C*V
1910171554
InChI=1S/C.Li INChIKey=YZSKZXUDGLALTQ-UHFFFAOYSA-N
B3LYP/CEP-31G
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Li1 |
0.0000 |
0.0000 |
-1.3052 |
| C2 |
0.0000 |
0.0000 |
0.6526 |
Atom - Atom Distances (Å)
| |
Li1 |
C2 |
| Li1 |
| 1.9578 |
| C2 |
1.9578 |
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Maximum atom distance is 1.9578Å
between atoms Li1 and C2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.