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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 | -499.2270647 | -499.6491503 | 0.4220856 | 0.0000000 | 499.6491503 | ||||||
| cm-1 | 7413.1 | 8086.9 | -673.8 | ||||||||
| eV | -13584.659 | 0.919 | -13583.740 | -13596.145 | 1.003 | -13595.142 | 11.486 | -0.084 | 11.402 | 0.000 | 13596.145 |