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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

TPSSh/6-31+G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
P1 0.0000 0.0000 0.1689   0.0000 0.1689 0.0000
F2 0.0000 1.2444 1.1428   1.2444 1.1428 0.0000
F3 0.0000 -1.2444 1.1428   -1.2444 1.1428 0.0000
F4 1.5921 0.0000 0.0456   0.0000 0.0456 1.5921
F5 -1.5921 0.0000 0.0456   0.0000 0.0456 -1.5921
F6 0.0000 0.9744 -1.3291   0.9744 -1.3291 0.0000
F7 0.0000 -0.9744 -1.3291   -0.9744 -1.3291 0.0000
Atom - Atom Distances (Å)
  P1 F2 F3 F4 F5 F6 F7
P1 1.5802 1.5802 1.5969 1.5969 1.7870 1.7870
F2 1.5802 2.4888 2.2994 2.2994 2.4866 3.3217
F3 1.5802 2.4888 2.2994 2.2994 3.3217 2.4866
F4 1.5969 2.2994 2.2994 3.1843 2.3182 2.3182
F5 1.5969 2.2994 2.2994 3.1843 2.3182 2.3182
F6 1.7870 2.4866 3.3217 2.3182 2.3182 1.9488
F7 1.7870 3.3217 2.4866 2.3182 2.3182 1.9488
Maximum atom distance is 3.3217Å 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 103.904 F2 P1 F4 92.728
F2 P1 F5 92.728 F2 P1 F6 95.005
F2 P1 F7 161.092 F3 P1 F4 92.728
F3 P1 F5 92.728 F3 P1 F6 161.092
F3 P1 F7 95.005 F4 P1 F5 171.143
F4 P1 F6 86.289 F4 P1 F7 86.289
F5 P1 F6 86.289 F5 P1 F7 86.289
F6 P1 F7 66.087

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