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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 | -587.6889414 | -588.0205911 | 0.3316497 | 0.0000000 | 588.0205911 | ||||||
| cm-1 | 1931.1 | 1737.6 | 193.4 | ||||||||
| eV | -15991.829 | 0.239 | -15991.590 | -16000.854 | 0.215 | -16000.639 | 9.025 | 0.024 | 9.049 | 0.000 | 16000.854 |