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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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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.
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.