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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 | -118.1824398 | -117.8769076 | -0.3055322 | 0.0000000 | 117.8769076 | ||||||
| cm-1 | 18620.7 | 16825.3 | 1795.4 | ||||||||
| eV | -3215.908 | 2.309 | -3213.599 | -3207.594 | 2.086 | -3205.508 | -8.314 | 0.223 | -8.091 | 0.000 | 3207.594 |