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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 | -113.8739605 | -114.2621773 | 0.3882169 | 0.0000000 | 114.2621773 | ||||||
| cm-1 | 5117.4 | 5649.1 | -531.6 | ||||||||
| eV | -3098.668 | 0.634 | -3098.034 | -3109.232 | 0.700 | -3108.532 | 10.564 | -0.066 | 10.498 | 0.000 | 3109.232 |