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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 | -490.3539068 | -490.7339918 | 0.3800850 | 0.0000000 | 490.7339918 | ||||||
| cm-1 | 573.6 | 369.6 | 204.1 | ||||||||
| eV | -13343.208 | 0.071 | -13343.137 | -13353.551 | 0.046 | -13353.505 | 10.343 | 0.025 | 10.368 | 0.000 | 13353.551 |