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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

BLYP/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 0.1900   0.0000 0.1900 0.0000
F2 0.0000 1.3332 1.2371   1.3332 1.2371 0.0000
F3 0.0000 -1.3332 1.2371   -1.3332 1.2371 0.0000
F4 1.6974 0.0000 0.0660   0.0000 0.0660 1.6974
F5 -1.6974 0.0000 0.0660   0.0000 0.0660 -1.6974
F6 0.0000 0.9213 -1.4615   0.9213 -1.4615 0.0000
F7 0.0000 -0.9213 -1.4615   -0.9213 -1.4615 0.0000
Atom - Atom Distances (Å)
  P1 F2 F3 F4 F5 F6 F7
P1 1.6953 1.6953 1.7020 1.7020 1.8911 1.8911
F2 1.6953 2.6664 2.4557 2.4557 2.7299 3.5165
F3 1.6953 2.6664 2.4557 2.4557 3.5165 2.7299
F4 1.7020 2.4557 2.4557 3.3949 2.4624 2.4624
F5 1.7020 2.4557 2.4557 3.3949 2.4624 2.4624
F6 1.8911 2.7299 3.5165 2.4624 2.4624 1.8425
F7 1.8911 3.5165 2.7299 2.4624 2.4624 1.8425
Maximum atom distance is 3.5165Å 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 103.707 F2 P1 F4 92.579
F2 P1 F5 92.579 F2 P1 F6 98.994
F2 P1 F7 157.300 F3 P1 F4 92.579
F3 P1 F5 92.579 F3 P1 F6 157.300
F3 P1 F7 98.994 F4 P1 F5 171.644
F4 P1 F6 86.352 F4 P1 F7 86.352
F5 P1 F6 86.352 F5 P1 F7 86.352
F6 P1 F7 58.306

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