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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 CS (carbon monosulfide)
1Σ C*V
1910171554
InChI=1S/CS/c1-2 INChIKey=DXHPZXWIPWDXHJ-UHFFFAOYSA-N
BLYP/6-31G*
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0000 |
0.0000 |
-1.1319 |
| S2 |
0.0000 |
0.0000 |
0.4245 |
Atom - Atom Distances (Å)
| |
C1 |
S2 |
| C1 |
| 1.5564 |
| S2 |
1.5564 |
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Maximum atom distance is 1.5564Å
between atoms C1 and S2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.