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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 | -106.4267959 | -106.8087509 | 0.3819550 | 0.0000000 | 106.8087509 | ||||||
| cm-1 | 192.7 | 493.8 | -301.1 | ||||||||
| eV | -2896.020 | 0.024 | -2895.997 | -2906.414 | 0.061 | -2906.353 | 10.394 | -0.037 | 10.356 | 0.000 | 2906.414 |