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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 | -834.1817123 | -834.5470993 | 0.3653871 | 0.0000000 | 834.5470993 | ||||||
| cm-1 | 1282.1 | 1468.9 | -186.8 | ||||||||
| eV | -22699.239 | 0.159 | -22699.080 | -22709.181 | 0.182 | -22708.999 | 9.943 | -0.023 | 9.920 | 0.000 | 22709.181 |