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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 | -416.0461541 | -416.3563728 | 0.3102187 | 0.0000000 | 416.3563728 | ||||||
| cm-1 | 682.2 | 593.2 | 89.0 | ||||||||
| eV | -11321.192 | 0.085 | -11321.107 | -11329.633 | 0.074 | -11329.560 | 8.441 | 0.011 | 8.453 | 0.000 | 11329.633 |