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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

CCD/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3796   0.3796 0.0000 0.0000
O2 0.0000 0.0000 -1.0974   -1.0974 0.0000 0.0000
H3 0.0000 1.2477 1.0287   1.0287 0.8823 -0.8823
H4 -1.0806 -0.6239 1.0287   1.0287 -1.2052 -0.3229
H5 1.0806 -0.6239 1.0287   1.0287 0.3229 1.2052
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4770 1.4065 1.4065 1.4065
O2 1.4770 2.4652 2.4652 2.4652
H3 1.4065 2.4652 2.1612 2.1612
H4 1.4065 2.4652 2.1612 2.1612
H5 1.4065 2.4652 2.1612 2.1612
Maximum atom distance is 2.4652Å 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 117.484 O2 P1 H4 117.484
O2 P1 H5 117.484 H3 P1 H4 100.401
H3 P1 H5 100.401 H4 P1 H5 100.401

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