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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 | -638.4462296 | -638.8137576 | 0.3675280 | 0.0000000 | 638.8137576 | ||||||
| cm-1 | 317.1 | 306.3 | 10.8 | ||||||||
| eV | -17373.005 | 0.039 | -17372.966 | -17383.006 | 0.038 | -17382.968 | 10.001 | 0.001 | 10.002 | 0.000 | 17383.006 |