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Geometry for Cl3PO (Phosphoryl chloride) 1A1 C3V

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

HSEh1PBE/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 0.4243   0.0000 0.0000 0.4243
O2 0.0000 0.0000 1.8918   0.0000 0.0000 1.8918
Cl3 0.0000 1.8311 -0.4215   1.8311 0.0000 -0.4215
Cl4 1.5858 -0.9156 -0.4215   -0.9156 1.5858 -0.4215
Cl5 -1.5858 -0.9156 -0.4215   -0.9156 -1.5858 -0.4215
Atom - Atom Distances (Å)
  P1 O2 Cl3 Cl4 Cl5
P1 1.4675 2.0171 2.0171 2.0171
O2 1.4675 2.9503 2.9503 2.9503
Cl3 2.0171 2.9503 3.1716 3.1716
Cl4 2.0171 2.9503 3.1716 3.1716
Cl5 2.0171 2.9503 3.1716 3.1716
Maximum atom distance is 3.1716Å 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 114.794 O2 P1 Cl4 114.794
O2 P1 Cl5 114.794 Cl3 P1 Cl4 103.663
Cl3 P1 Cl5 103.663 Cl4 P1 Cl5 103.663

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