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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 | -319.5091530 | -319.9109717 | 0.4018187 | 0.0000000 | 319.9109717 | ||||||
| cm-1 | 2484.6 | 2933.0 | -448.4 | ||||||||
| eV | -8694.286 | 0.308 | -8693.978 | -8705.220 | 0.364 | -8704.857 | 10.934 | -0.056 | 10.878 | 0.000 | 8705.220 |