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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 CaCl (calcium monochloride)
2Σ C*V
1910171554
InChI=1S/Ca.ClH/h;1H/q+1;/p-1 INChIKey=WGPMOVAPQPJDDK-UHFFFAOYSA-M
B3LYP/CEP-121G
Point group is C∞v
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| Ca1 |
0.0000 |
0.0000 |
1.2154 |
| Cl2 |
0.0000 |
0.0000 |
-1.4299 |
Atom - Atom Distances (Å)
| |
Ca1 |
Cl2 |
| Ca1 |
| 2.6453 |
| Cl2 |
2.6453 |
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Maximum atom distance is 2.6453Å
between atoms Ca1 and Cl2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.