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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 Cl2 (Chlorine diatomic)
1Σg D*H
1910171554
InChI=1S/Cl2/c1-2 INChIKey=KZBUYRJDOAKODT-UHFFFAOYSA-N
MP2/6-31G**
Point group is D∞h
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
Cl1 |
0.0000 |
0.0000 |
1.0076 |
Cl2 |
0.0000 |
0.0000 |
-1.0076 |
Atom - Atom Distances (Å)
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Cl1 |
Cl2 |
Cl1 |
| 2.0153 |
Cl2 |
2.0153 |
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Maximum atom distance is 2.0153Å
between atoms Cl1 and Cl2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.