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Geometry for (Phosphorus trichloride) 1A1 C3V

1910171554
InChI=1S/Cl3P/c1-4(2)3 INChIKey=FAIAAWCVCHQXDN-UHFFFAOYSA-N

HF/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 0.7229   0.0000 0.0000 0.7229
Cl2 0.0000 1.8219 -0.2126   0.0000 1.8219 -0.2126
Cl3 1.5779 -0.9110 -0.2126   1.5779 -0.9110 -0.2126
Cl4 -1.5779 -0.9110 -0.2126   -1.5779 -0.9110 -0.2126
X5 0.0000 0.0000 1.7229   0.0000 0.0000 1.7229
Atom - Atom Distances (Å)
  P1 Cl2 Cl3 Cl4 X5
P1 2.0481 2.0481 2.0481 1.0000
Cl2 2.0481 3.1557 3.1557 2.6581
Cl3 2.0481 3.1557 3.1557 2.6581
Cl4 2.0481 3.1557 3.1557 2.6581
X5 1.0000 2.6581 2.6581 2.6581
Maximum atom distance is 3.1557Å between atoms Cl3 and Cl4.
picture of Phosphorus trichloride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Cl2 P1 Cl3 100.780 Cl2 P1 Cl4 100.780
Cl2 P1 X5 117.179 Cl3 P1 Cl4 100.780
Cl3 P1 X5 117.179 Cl4 P1 X5 117.179

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