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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 | -106.9036143 | -107.3105262 | 0.4069119 | 0.0000000 | 107.3105262 | ||||||
| cm-1 | 140.3 | 452.4 | -312.0 | ||||||||
| eV | -2908.995 | 0.017 | -2908.978 | -2920.068 | 0.056 | -2920.012 | 11.073 | -0.039 | 11.034 | 0.000 | 2920.068 |