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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Experimental > One molecule all properties |
Other names |
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Beryllium hydride; |
INChI | INChIKey | SMILES | IUPAC name |
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InChI=1S/Be.2H | RWASOQSEFLDYLC-UHFFFAOYSA-N | [BeH2] | Beryllium hydride |
State | Conformation |
---|---|
1Σg | D*H |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) ![]() |
125.52 | kJ mol-1 | JANAF | estimate! No experimental data! | |
Hfg(0K) ![]() |
127.22 | kJ mol-1 | JANAF | estimate! No experimental data! | |
Entropy (298.15K) ![]() |
173.10 | J K-1 mol-1 | JANAF | ||
Integrated Heat Capacity (0 to 298.15K) ![]() |
8.71 | kJ mol-1 | JANAF | ||
Heat Capacity (298.15K) ![]() |
30.39 | J K-1 mol-1 | webbook |
Mode Number | Symmetry | Frequency | Intensity | Comment | Description | ||||
---|---|---|---|---|---|---|---|---|---|
Fundamental(cm-1) | Harmonic(cm-1) | Reference | (km mol-1) | unc. | Reference | ||||
2 | Σu | 2159 | VEEL5 | ||||||
3 | Πu | 698 | VEEL5 |
A | B | C | reference | comment |
---|---|---|---|---|
4.75366 | 2003Sha/Ter:3622 | Be |
Product of moments of inertia ![]() | ||||
---|---|---|---|---|
3.546242 | amu Å2 | 5.888761E-40 | gm cm2 |