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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 | -596.9861757 | -597.2557135 | 0.2695378 | 0.0000000 | 597.2557135 | ||||||
| cm-1 | 219.3 | 241.3 | -22.0 | ||||||||
| eV | -16244.820 | 0.027 | -16244.793 | -16252.154 | 0.030 | -16252.125 | 7.334 | -0.003 | 7.332 | 0.000 | 16252.154 |