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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 | -129.4596345 | -129.8090552 | 0.3494207 | 0.0000000 | 129.8090552 | ||||||
| cm-1 | 1174.1 | 933.9 | 240.2 | ||||||||
| eV | -3522.776 | 0.146 | -3522.630 | -3532.284 | 0.116 | -3532.168 | 9.508 | 0.030 | 9.538 | 0.000 | 3532.284 |