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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

MP3/cc-pVTZ


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3800   0.3800 0.0000 0.0000
O2 0.0000 0.0000 -1.0947   -1.0947 -0.0000 0.0000
H3 0.0000 1.2534 1.0193   1.0193 -1.2534 0.0000
H4 -1.0855 -0.6267 1.0193   1.0193 0.6267 1.0855
H5 1.0855 -0.6267 1.0193   1.0193 0.6267 -1.0855
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.4747 1.4070 1.4070 1.4070
O2 1.4747 2.4576 2.4576 2.4576
H3 1.4070 2.4576 2.1710 2.1710
H4 1.4070 2.4576 2.1710 2.1710
H5 1.4070 2.4576 2.1710 2.1710
Maximum atom distance is 2.4576Å 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 117.023 O2 P1 H4 117.023
O2 P1 H5 117.023 H3 P1 H4 100.973
H3 P1 H5 100.973 H4 P1 H5 100.973

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