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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 | -114.4773640 | -114.7317662 | 0.2544022 | 0.0000000 | 114.7317662 | ||||||
| cm-1 | 8577.1 | 7965.1 | 612.0 | ||||||||
| eV | -3115.087 | 1.063 | -3114.024 | -3122.010 | 0.988 | -3121.023 | 6.923 | 0.076 | 6.999 | 0.000 | 3122.010 |