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Geometry for Cl3PO (Phosphoryl chloride) 1A1 C3V

1910171554
InChI=1S/Cl3OP/c1-5(2,3)4 INChIKey=XHXFXVLFKHQFAL-UHFFFAOYSA-N

B3LYPultrafine/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.4309   0.0000 0.0000 0.4309
O2 0.0000 0.0000 1.9030   0.0000 0.0000 1.9030
Cl3 0.0000 1.8498 -0.4252   1.8498 -0.0000 -0.4252
Cl4 1.6020 -0.9249 -0.4252   -0.9249 1.6020 -0.4252
Cl5 -1.6020 -0.9249 -0.4252   -0.9249 -1.6020 -0.4252
Atom - Atom Distances (Å)
  P1 O2 Cl3 Cl4 Cl5
P1 1.4720 2.0383 2.0383 2.0383
O2 1.4720 2.9736 2.9736 2.9736
Cl3 2.0383 2.9736 3.2039 3.2039
Cl4 2.0383 2.9736 3.2039 3.2039
Cl5 2.0383 2.9736 3.2039 3.2039
Maximum atom distance is 3.2039Å between atoms Cl3 and Cl4.
picture of Phosphoryl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 Cl3 114.837 O2 P1 Cl4 114.837
O2 P1 Cl5 114.837 Cl3 P1 Cl4 103.613
Cl3 P1 Cl5 103.613 Cl4 P1 Cl5 103.613

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