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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 | -113.8287884 | -114.2103049 | 0.3815165 | 0.0000000 | 114.2103049 | ||||||
| cm-1 | 5159.1 | 5649.0 | -489.9 | ||||||||
| eV | -3097.439 | 0.640 | -3096.799 | -3107.820 | 0.700 | -3107.120 | 10.382 | -0.061 | 10.321 | 0.000 | 3107.820 |