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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 | -395.8099369 | -396.1650536 | 0.3551167 | 0.0000000 | 396.1650536 | ||||||
| cm-1 | 1122.3 | 1173.0 | -50.8 | ||||||||
| eV | -10770.536 | 0.139 | -10770.397 | -10780.199 | 0.145 | -10780.054 | 9.663 | -0.006 | 9.657 | 0.000 | 10780.199 |