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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 | -290.4130831 | -290.6986681 | 0.2855850 | 0.0000000 | 290.6986681 | ||||||
| cm-1 | 4725.0 | 4511.7 | 213.3 | ||||||||
| eV | -7902.542 | 0.586 | -7901.956 | -7910.313 | 0.559 | -7909.754 | 7.771 | 0.026 | 7.798 | 0.000 | 7910.313 |