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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 | -25.9496494 | -26.3927477 | 0.4430983 | 0.0000000 | 26.3927477 | ||||||
| cm-1 | 4148.5 | 5387.6 | -1239.0 | ||||||||
| eV | -706.126 | 0.514 | -705.612 | -718.183 | 0.668 | -717.515 | 12.057 | -0.154 | 11.904 | 0.000 | 718.183 |