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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 | -630.4678213 | -630.7894603 | 0.3216390 | 0.0000000 | 630.7894603 | ||||||
| cm-1 | 237.5 | 300.0 | -62.5 | ||||||||
| eV | -17155.902 | 0.029 | -17155.872 | -17164.654 | 0.037 | -17164.617 | 8.752 | -0.008 | 8.744 | 0.000 | 17164.654 |