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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 PS (phosphorus sulfide)
2Σ C*V
1910171554
InChI=1S/PS/c1-2 INChIKey=VKCLPVFDVVKEKU-UHFFFAOYSA-N
B2PLYP=FULL/3-21G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
S1 |
0.0000 |
0.0000 |
0.9233 |
P2 |
0.0000 |
0.0000 |
-0.9848 |
Atom - Atom Distances (Å)
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S1 |
P2 |
S1 |
| 1.9081 |
P2 |
1.9081 |
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Maximum atom distance is 1.9081Å
between atoms S1 and P2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.