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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 PSe (Phosphorus monoselenide)
2Π C*V
1910171554
InChI=1S/PSe/c1-2 INChIKey=DFRFKDSWUNYYGW-UHFFFAOYSA-N
B3LYP/6-31+G**
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
P1 |
0.0000 |
0.0000 |
-1.4262 |
Se2 |
0.0000 |
0.0000 |
0.6292 |
Atom - Atom Distances (Å)
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P1 |
Se2 |
P1 |
| 2.0554 |
Se2 |
2.0554 |
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Maximum atom distance is 2.0554Å
between atoms P1 and Se2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.