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Geometry for H3PO (Phosphine oxide) 1A1 C3V

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

MP2/CEP-121G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.3921   0.3921 0.0000 0.0000
O2 0.0000 0.0000 -1.1271   -1.1271 -0.0000 0.0000
H3 0.0000 1.2729 1.0451   1.0451 -1.2729 0.0000
H4 -1.1023 -0.6364 1.0451   1.0451 0.6364 1.1023
H5 1.1023 -0.6364 1.0451   1.0451 0.6364 -1.1023
Atom - Atom Distances (Å)
  P1 O2 H3 H4 H5
P1 1.5191 1.4306 1.4306 1.4306
O2 1.5191 2.5176 2.5176 2.5176
H3 1.4306 2.5176 2.2047 2.2047
H4 1.4306 2.5176 2.2047 2.2047
H5 1.4306 2.5176 2.2047 2.2047
Maximum atom distance is 2.5176Å 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 117.159 O2 P1 H4 117.159
O2 P1 H5 117.159 H3 P1 H4 100.805
H3 P1 H5 100.805 H4 P1 H5 100.805

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