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Geometry for Cl3PO (Phosphoryl chloride) 1A1 C3V

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

MP2/6-31G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.4237   0.0000 -0.0000 0.4237
O2 0.0000 0.0000 1.9008   0.0000 -0.0000 1.9008
Cl3 0.0000 1.8228 -0.4228   0.0000 1.8228 -0.4228
Cl4 1.5786 -0.9114 -0.4228   1.5786 -0.9114 -0.4228
Cl5 -1.5786 -0.9114 -0.4228   -1.5786 -0.9114 -0.4228
Atom - Atom Distances (Å)
  P1 O2 Cl3 Cl4 Cl5
P1 1.4771 2.0098 2.0098 2.0098
O2 1.4771 2.9533 2.9533 2.9533
Cl3 2.0098 2.9533 3.1572 3.1572
Cl4 2.0098 2.9533 3.1572 3.1572
Cl5 2.0098 2.9533 3.1572 3.1572
Maximum atom distance is 3.1572Å between atoms Cl4 and Cl5.
picture of Phosphoryl chloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 P1 Cl3 114.910 O2 P1 Cl4 114.910
O2 P1 Cl5 114.910 Cl3 P1 Cl4 103.527
Cl3 P1 Cl5 103.527 Cl4 P1 Cl5 103.527

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