return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry

Geometry for ClF5 (chlorinepentafluoride) 1A1 C4V

1910171554
InChI=1S/ClF5/c2-1(3,4,5)6 INChIKey=KNSWNNXPAWSACI-UHFFFAOYSA-N

CCD/3-21G*


Point group is C4v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Cl1 0.0000 0.0000 0.3346   0.0000 0.0000 0.3346
F2 0.0000 0.0000 -1.3196   0.0000 0.0000 -1.3196
F3 0.0000 1.6664 0.1719   1.6664 0.0000 0.1719
F4 -1.6664 0.0000 0.1719   0.0000 -1.6664 0.1719
F5 0.0000 -1.6664 0.1719   -1.6664 0.0000 0.1719
F6 1.6664 0.0000 0.1719   0.0000 1.6664 0.1719
Atom - Atom Distances (Å)
  Cl1 F2 F3 F4 F5 F6
Cl1 1.6541 1.6743 1.6743 1.6743 1.6743
F2 1.6541 2.2364 2.2364 2.2364 2.2364
F3 1.6743 2.2364 2.3566 3.3327 2.3566
F4 1.6743 2.2364 2.3566 2.3566 3.3327
F5 1.6743 2.2364 3.3327 2.3566 2.3566
F6 1.6743 2.2364 2.3566 3.3327 2.3566
Maximum atom distance is 3.3327Å between atoms F3 and F5.
picture of chlorinepentafluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
F2 Cl1 F3 84.425 F2 Cl1 F4 84.425
F2 Cl1 F5 84.425 F2 Cl1 F6 84.425
F3 Cl1 F4 89.459 F3 Cl1 F5 168.850
F3 Cl1 F6 89.459 F4 Cl1 F5 89.459
F4 Cl1 F6 168.850 F5 Cl1 F6 89.459

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