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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 | -26.0813553 | -26.5215181 | 0.4401628 | 0.0000000 | 26.5215181 | ||||||
| cm-1 | 4597.1 | 5635.7 | -1038.6 | ||||||||
| eV | -709.710 | 0.570 | -709.140 | -721.687 | 0.699 | -720.988 | 11.977 | -0.129 | 11.849 | 0.000 | 721.687 |