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Geometry for (Phosphorus trichloride) 1A1 C3V

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

B3LYP/6-311G*


Point group is C3v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.7353   0.0000 0.0000 0.7353
Cl2 0.0000 1.8678 -0.2163   0.0000 1.8678 -0.2163
Cl3 1.6176 -0.9339 -0.2163   1.6176 -0.9339 -0.2163
Cl4 -1.6176 -0.9339 -0.2163   -1.6176 -0.9339 -0.2163
X5 0.0000 0.0000 1.7353   0.0000 0.0000 1.7353
Atom - Atom Distances (Å)
  P1 Cl2 Cl3 Cl4 X5
P1 2.0963 2.0963 2.0963 1.0000
Cl2 2.0963 3.2352 3.2352 2.7014
Cl3 2.0963 3.2352 3.2352 2.7014
Cl4 2.0963 3.2352 3.2352 2.7014
X5 1.0000 2.7014 2.7014 2.7014
Maximum atom distance is 3.2352Å 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 101.004 Cl2 P1 Cl4 101.004
Cl2 P1 X5 116.998 Cl3 P1 Cl4 101.004
Cl3 P1 X5 116.998 Cl4 P1 X5 116.998

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