return to home page 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 OPCl (Phosphorus oxychloride) 1A' CS

1910171554
InChI=1S/ClOP/c1-3-2 INChIKey=

AM1


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
P1 0.0000 0.7612 0.0000
O2 1.4519 0.7608 0.0000
Cl3 -0.6832 -1.0297 0.0000
Atom - Atom Distances (Å)
  P1 O2 Cl3
P1 1.4519 1.9168
O2 1.4519 2.7865
Cl3 1.9168 2.7865
Maximum atom distance is 2.7865Å between atoms O2 and Cl3.
picture of Phosphorus oxychloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 Cl3 110.868

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.