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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 | -118.0602696 | -118.3285484 | 0.2682787 | 0.0000000 | 118.3285484 | ||||||
| cm-1 | 18594.4 | 18557.5 | 36.9 | ||||||||
| eV | -3212.583 | 2.305 | -3210.278 | -3219.884 | 2.301 | -3217.583 | 7.300 | 0.005 | 7.305 | 0.000 | 3219.884 |