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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 | -405.3615140 | -405.6491834 | 0.2876694 | 0.0000000 | 405.6491834 | ||||||
| cm-1 | 157.8 | 275.6 | -117.8 | ||||||||
| eV | -11030.448 | 0.020 | -11030.428 | -11038.276 | 0.034 | -11038.241 | 7.828 | -0.015 | 7.813 | 0.000 | 11038.276 |