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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 | -556.5055494 | -556.9723744 | 0.4668251 | 0.0000000 | 556.9723744 | ||||||
| cm-1 | 419.7 | 369.6 | 50.1 | ||||||||
| eV | -15143.286 | 0.052 | -15143.234 | -15155.989 | 0.046 | -15155.943 | 12.703 | 0.006 | 12.709 | 0.000 | 15155.989 |