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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

LSDA/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3823   0.3823 0.0000 0.0000
O2 0.0000 0.0000 -1.1125   -1.1125 0.0000 0.0000
H3 0.0000 1.2674 1.0551   1.0551 0.9897 -0.7918
H4 -1.0976 -0.6337 1.0551   1.0551 -1.1805 -0.4612
H5 1.0976 -0.6337 1.0551   1.0551 0.1908 1.2530
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4948 1.4349 1.4349 1.4349
O2 1.4948 2.5109 2.5109 2.5109
H3 1.4349 2.5109 2.1952 2.1952
H4 1.4349 2.5109 2.1952 2.1952
H5 1.4349 2.5109 2.1952 2.1952
Maximum atom distance is 2.5109Å 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 117.961 O2 P1 H4 117.961
O2 P1 H5 117.961 H3 P1 H4 99.802
H3 P1 H5 99.802 H4 P1 H5 99.802

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