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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 | -958.6788202 | -958.9857723 | 0.3069521 | 0.0000000 | 958.9857723 | ||||||
| cm-1 | 3729.5 | 3344.8 | 384.8 | ||||||||
| eV | -26086.977 | 0.462 | -26086.515 | -26095.330 | 0.415 | -26094.915 | 8.353 | 0.048 | 8.400 | 0.000 | 26095.330 |