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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 | -38.7584981 | -39.1404997 | 0.3820015 | 0.0000000 | 39.1404997 | ||||||
| cm-1 | 3459.5 | 3644.8 | -185.3 | ||||||||
| eV | -1054.672 | 0.429 | -1054.243 | -1065.067 | 0.452 | -1064.615 | 10.395 | -0.023 | 10.372 | 0.000 | 1065.067 |