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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 | -388.3284088 | -388.5897864 | 0.2613776 | 0.0000000 | 388.5897864 | ||||||
| cm-1 | 475.0 | 383.9 | 91.1 | ||||||||
| eV | -10566.953 | 0.059 | -10566.895 | -10574.066 | 0.048 | -10574.018 | 7.112 | 0.011 | 7.124 | 0.000 | 10574.066 |