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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

mPW1PW91/STO-3G


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.4037   0.4037 0.0000 0.0000
O2 0.0000 0.0000 -1.1726   -1.1726 0.0000 0.0000
H3 0.0000 1.2444 1.1084   1.1084 1.1749 -0.4099
H4 -1.0776 -0.6222 1.1084   1.1084 -0.9424 -0.8125
H5 1.0776 -0.6222 1.1084   1.1084 -0.2324 1.2224
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.5763 1.4301 1.4301 1.4301
O2 1.5763 2.5984 2.5984 2.5984
H3 1.4301 2.5984 2.1553 2.1553
H4 1.4301 2.5984 2.1553 2.1553
H5 1.4301 2.5984 2.1553 2.1553
Maximum atom distance is 2.5984Å 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 119.525 O2 P1 H4 119.525
O2 P1 H5 119.525 H3 P1 H4 97.801
H3 P1 H5 97.801 H4 P1 H5 97.801

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