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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 | -15.4023832 | -15.8271395 | 0.4247563 | 0.0000000 | 15.8271395 | ||||||
| cm-1 | 1541.3 | 2786.1 | -1244.9 | ||||||||
| eV | -419.120 | 0.191 | -418.929 | -430.678 | 0.345 | -430.333 | 11.558 | -0.154 | 11.404 | 0.000 | 430.678 |