|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for CP (Carbon monophosphide)
2Σ C*V
1910171554
InChI=1S/CP/c1-2 INChIKey=GDPLAAHPHNAIGW-UHFFFAOYSA-N
B2PLYP/6-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0000 |
0.0000 |
-1.1086 |
P2 |
0.0000 |
0.0000 |
0.4434 |
Atom - Atom Distances (Å)
|
C1 |
P2 |
C1 |
| 1.5520 |
P2 |
1.5520 |
|
Maximum atom distance is 1.5520Å
between atoms C1 and P2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.