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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 | -499.1655838 | -499.4820024 | 0.3164186 | 0.0000000 | 499.4820024 | ||||||
| cm-1 | 5340.0 | 4787.9 | 552.1 | ||||||||
| eV | -13582.986 | 0.662 | -13582.324 | -13591.596 | 0.594 | -13591.003 | 8.610 | 0.068 | 8.679 | 0.000 | 13591.596 |