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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

HF/TZVP


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3807   0.3807 0.0000 0.0000
O2 0.0000 0.0000 -1.0917   -1.0917 0.0000 0.0000
H3 0.0000 1.2558 1.0077   1.0077 1.2149 -0.3177
H4 -1.0875 -0.6279 1.0077   1.0077 -0.8826 -0.8933
H5 1.0875 -0.6279 1.0077   1.0077 -0.3323 1.2110
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4724 1.4036 1.4036 1.4036
O2 1.4724 2.4463 2.4463 2.4463
H3 1.4036 2.4463 2.1750 2.1750
H4 1.4036 2.4463 2.1750 2.1750
H5 1.4036 2.4463 2.1750 2.1750
Maximum atom distance is 2.4463Å between atoms O2 and H3.
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 116.534 O2 P1 H4 116.534
O2 P1 H5 116.534 H3 P1 H4 101.575
H3 P1 H5 101.575 H4 P1 H5 101.575

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