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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 | -106.4084310 | -106.7821377 | 0.3737067 | 0.0000000 | 106.7821377 | ||||||
| cm-1 | 174.5 | 492.2 | -317.7 | ||||||||
| eV | -2895.521 | 0.022 | -2895.499 | -2905.690 | 0.061 | -2905.629 | 10.169 | -0.039 | 10.130 | 0.000 | 2905.690 |