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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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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -54.3638246 | -54.8874030 | 0.5235785 | 0.0000000 | 54.8874030 | ||||||
| cm-1 | 1428.9 | 1540.8 | -111.9 | ||||||||
| eV | -1479.315 | 0.177 | -1479.138 | -1493.562 | 0.191 | -1493.371 | 14.247 | -0.014 | 14.233 | 0.000 | 1493.562 |