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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 | -113.5363853 | -113.8792433 | 0.3428580 | 0.0000000 | 113.8792433 | ||||||
| cm-1 | 5384.1 | 5720.5 | -336.4 | ||||||||
| eV | -3089.482 | 0.668 | -3088.815 | -3098.812 | 0.709 | -3098.103 | 9.330 | -0.042 | 9.288 | 0.000 | 3098.812 |