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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 | -114.2590540 | -114.6143328 | 0.3552788 | 0.0000000 | 114.6143328 | ||||||
| cm-1 | 9912.7 | 10617.0 | -704.3 | ||||||||
| eV | -3109.147 | 1.229 | -3107.918 | -3118.815 | 1.316 | -3117.498 | 9.668 | -0.087 | 9.580 | 0.000 | 3118.815 |