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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 | -153.0842607 | -153.5598559 | 0.4755953 | 0.0000000 | 153.5598559 | ||||||
| cm-1 | 621.5 | 525.8 | 95.7 | ||||||||
| eV | -4165.635 | 0.077 | -4165.558 | -4178.576 | 0.065 | -4178.511 | 12.942 | 0.012 | 12.953 | 0.000 | 4178.576 |