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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 S2 (Sulfur diatomic)
3Σg D*H
1910171554
InChI=1S/S2/c1-2 INChIKey=MAHNFPMIPQKPPI-UHFFFAOYSA-N
PBEPBE/aug-cc-pVTZ
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
S1 |
0.0000 |
0.0000 |
0.9606 |
S2 |
0.0000 |
0.0000 |
-0.9606 |
Atom - Atom Distances (Å)
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S1 |
S2 |
S1 |
| 1.9213 |
S2 |
1.9213 |
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Maximum atom distance is 1.9213Å
between atoms S1 and S2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.