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Geometry for PF6 (Hexafluorophosphate neutral) 2B2 C2V

1910171554
InChI=1S/F6P/c1-7(2,3,4,5)6 INChIKey=WBPJDOUFWQVMRN-UHFFFAOYSA-N

ROMP2/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1806   0.0000 0.1806 0.0000
F2 0.0000 1.2914 1.1808   1.2914 1.1808 0.0000
F3 0.0000 -1.2914 1.1808   -1.2914 1.1808 0.0000
F4 1.6416 0.0000 0.0603   0.0000 0.0603 1.6416
F5 -1.6416 0.0000 0.0603   0.0000 0.0603 -1.6416
F6 0.0000 0.9006 -1.3916   0.9006 -1.3916 0.0000
F7 0.0000 -0.9006 -1.3916   -0.9006 -1.3916 0.0000
Atom - Atom Distances (Å)
  P1 F2 F3 F4 F5 F6 F7
P1 1.6334 1.6334 1.6460 1.6460 1.8119 1.8119
F2 1.6334 2.5828 2.3702 2.3702 2.6019 3.3796
F3 1.6334 2.5828 2.3702 2.3702 3.3796 2.6019
F4 1.6460 2.3702 2.3702 3.2831 2.3693 2.3693
F5 1.6460 2.3702 2.3702 3.2831 2.3693 2.3693
F6 1.8119 2.6019 3.3796 2.3693 2.3693 1.8013
F7 1.8119 3.3796 2.6019 2.3693 2.3693 1.8013
Maximum atom distance is 3.3796Å between atoms F2 and F7.
picture of Hexafluorophosphate neutral
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 P1 F3 104.483 F2 P1 F4 92.565
F2 P1 F5 92.565 F2 P1 F6 97.951
F2 P1 F7 157.565 F3 P1 F4 92.565
F3 P1 F5 92.565 F3 P1 F6 157.565
F3 P1 F7 97.951 F4 P1 F5 171.616
F4 P1 F6 86.364 F4 P1 F7 86.364
F5 P1 F6 86.364 F5 P1 F7 86.364
F6 P1 F7 59.614

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