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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

B3PW91/6-311G**


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3814   0.3814 0.0000 0.0000
O2 0.0000 0.0000 -1.1055   -1.1055 0.0000 0.0000
H3 0.0000 1.2597 1.0409   1.0409 0.6988 1.0481
H4 -1.0909 -0.6299 1.0409   1.0409 -1.2571 0.0811
H5 1.0909 -0.6299 1.0409   1.0409 0.5583 -1.1292
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4869 1.4219 1.4219 1.4219
O2 1.4869 2.4887 2.4887 2.4887
H3 1.4219 2.4887 2.1819 2.1819
H4 1.4219 2.4887 2.1819 2.1819
H5 1.4219 2.4887 2.1819 2.1819
Maximum atom distance is 2.4887Å 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 117.635 O2 P1 H4 117.634
O2 P1 H5 117.634 H3 P1 H4 100.212
H3 P1 H5 100.212 H4 P1 H5 100.212

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