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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 | -378.7136885 | -379.0541299 | 0.3404415 | 0.0000000 | 379.0541299 | ||||||
| cm-1 | 2323.8 | 2947.6 | -623.8 | ||||||||
| eV | -10305.324 | 0.288 | -10305.035 | -10314.587 | 0.365 | -10314.222 | 9.264 | -0.077 | 9.187 | 0.000 | 10314.587 |