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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 NaS (Sodium sulfide)
2Π C*V
1910171554
InChI=1S/Na.S INChIKey=BNOODXBBXFZASF-UHFFFAOYSA-N
mPW1PW91/6-31G
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Na1 |
0.0000 |
0.0000 |
-1.5040 |
S2 |
0.0000 |
0.0000 |
1.0340 |
Atom - Atom Distances (Å)
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Na1 |
S2 |
Na1 |
| 2.5380 |
S2 |
2.5380 |
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Maximum atom distance is 2.5380Å
between atoms Na1 and S2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.