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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

LSDA/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 0.3801   0.0000 0.3801 0.0000
O2 0.0000 0.0000 -1.1077   0.0000 -1.1077 0.0000
H3 0.0000 1.2668 1.0534   1.2668 1.0534 0.0000
H4 -1.0971 -0.6334 1.0534   -0.6334 1.0534 -1.0971
H5 1.0971 -0.6334 1.0534   -0.6334 1.0534 1.0971
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4877 1.4346 1.4346 1.4346
O2 1.4877 2.5050 2.5050 2.5050
H3 1.4346 2.5050 2.1942 2.1942
H4 1.4346 2.5050 2.1942 2.1942
H5 1.4346 2.5050 2.1942 2.1942
Maximum atom distance is 2.5050Å 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 117.991 O2 P1 H4 117.991
O2 P1 H5 117.991 H3 P1 H4 99.765
H3 P1 H5 99.765 H4 P1 H5 99.765

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