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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 ICl (Iodine monochloride)
1Σ C*V
1910171554
InChI=1S/ClI/c1-2 INChIKey=QZRGKCOWNLSUDK-UHFFFAOYSA-N
B97D3/Def2TZVPP
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| I1 |
0.0000 |
0.0000 |
0.5717 |
| Cl2 |
0.0000 |
0.0000 |
-1.7825 |
Atom - Atom Distances (Å)
| |
I1 |
Cl2 |
| I1 |
| 2.3542 |
| Cl2 |
2.3542 |
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Maximum atom distance is 2.3542Å
between atoms I1 and Cl2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.