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Geometry for H3PO (Phosphine oxide) 1A1 C3V

1910171554
InChI=1S/H3OP/c1-2/h2H3 INChIKey=MPQXHAGKBWFSNV-UHFFFAOYSA-N

wB97X-D/cc-pVDZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3829   0.3829 0.0000 0.0000
O2 0.0000 0.0000 -1.1025   -1.1025 0.0000 0.0000
H3 0.0000 1.2610 1.0254   1.0254 0.6995 1.0492
H4 -1.0921 -0.6305 1.0254   1.0254 -1.2584 0.0812
H5 1.0921 -0.6305 1.0254   1.0254 0.5589 -1.1304
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4854 1.4153 1.4153 1.4153
O2 1.4854 2.4735 2.4735 2.4735
H3 1.4153 2.4735 2.1842 2.1842
H4 1.4153 2.4735 2.1842 2.1842
H5 1.4153 2.4735 2.1842 2.1842
Maximum atom distance is 2.4735Å between atoms O2 and H4.
picture of Phosphine oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 H3 117.000 O2 P1 H4 117.000
O2 P1 H5 117.000 H3 P1 H4 101.002
H3 P1 H5 101.002 H4 P1 H5 101.002

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