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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 | -451.6243247 | -451.9540177 | 0.3296929 | 0.0000000 | 451.9540177 | ||||||
| cm-1 | 785.7 | 424.1 | 361.6 | ||||||||
| eV | -12289.323 | 0.097 | -12289.225 | -12298.294 | 0.053 | -12298.242 | 8.971 | 0.045 | 9.016 | 0.000 | 12298.294 |