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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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| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rBeCl | 1.750 | 1 | 2 | Gurvich | |||
| Bond Type | Count |
|---|---|
| Be-Cl | 2 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|---|---|---|
| Be1 | 0.0000 | 0.0000 | 0.0000 |
| Cl2 | 0.0000 | 0.0000 | 1.7500 |
| Cl3 | 0.0000 | 0.0000 | -1.7500 |
| Be1 | Cl2 | Cl3 | |
|---|---|---|---|
| Be1 | 1.7500 | 1.7500 | |
| Cl2 | 1.7500 | 3.5000 | |
| Cl3 | 1.7500 | 3.5000 |
| squib | reference | DOI |
|---|---|---|
| Gurvich | Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989 |
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