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 PO (Phosphorus monoxide) 2Π C*V

1910171554
InChI=1S/OP/c1-2 INChIKey=LFGREXWGYUGZLY-UHFFFAOYSA-N

PBEPBE/3-21G


Point group is C∞v
Atom Internal
x (Å) y (Å) z (Å)
O1 0.0000 0.0000 -1.0405
P2 0.0000 0.0000 0.5550
Atom - Atom Distances (Å)
  O1 P2
O1 1.5955
P2 1.5955
Maximum atom distance is 1.5955Å between atoms O1 and P2.
picture of Phosphorus monoxide

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