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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 | -22.2025405 | -22.3441702 | 0.1416297 | 0.0000000 | 22.3441702 | ||||||
| cm-1 | 365.4 | 341.1 | 24.3 | ||||||||
| eV | -604.162 | 0.045 | -604.117 | -608.016 | 0.042 | -607.973 | 3.854 | 0.003 | 3.857 | 0.000 | 608.016 |