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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 (phosphorus monochloride cation)
2Π C*V
1910171554
InChI=1S/ClP/c1-2/q+1 INChIKey=KLVGEFFETWPHOI-UHFFFAOYSA-N
mPW1PW91/6-31G*
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| P1 |
0.0000 |
0.0000 |
-1.0198 |
| Cl2 |
0.0000 |
0.0000 |
0.8998 |
Atom - Atom Distances (Å)
| |
P1 |
Cl2 |
| P1 |
| 1.9197 |
| Cl2 |
1.9197 |
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Maximum atom distance is 1.9197Å
between atoms P1 and Cl2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.