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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 |
|---|
| Beryllium fluoride; |
| INChI | INChIKey | SMILES | IUPAC name |
|---|---|---|---|
| InChI=1S/Be.FH/h;1H/q+1;/p-1 | ROPFUFXLORQKEY-UHFFFAOYSA-M | [Be]F |
| State | Conformation |
|---|---|
| 2Σ | C*V |
| Property | Value | Uncertainty | units | Reference | Comment |
|---|---|---|---|---|---|
Hfg(298.15K) ![]() |
-169.87 | 8.00 | kJ mol-1 | JANAF | |
Hfg(0K) ![]() |
-172.22 | 8.00 | kJ mol-1 | JANAF | |
Entropy (298.15K) ![]() |
205.75 | 0.04 | J K-1 mol-1 | JANAF | |
Integrated Heat Capacity (0 to 298.15K) ![]() |
8.71 | kJ mol-1 | JANAF | ||
Heat Capacity (298.15K) ![]() |
29.87 | 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 | ||||
| 1 | Σ | 1247 | 1979HUB/HER | ||||||
| A | B | C | reference | comment |
|---|---|---|---|---|
| 1.48893 | 1979HUB/HER |
Product of moments of inertia ![]() | ||||
|---|---|---|---|---|
| 11.32198 | amu Å2 | 1.880087E-39 | gm cm2 | |
Point Group C∞v
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