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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 | -99.3419316 | -99.8069937 | 0.4650621 | 0.0000000 | 99.8069937 | ||||||
| cm-1 | 910.8 | 901.3 | 9.5 | ||||||||
| eV | -2703.231 | 0.113 | -2703.119 | -2715.886 | 0.112 | -2715.775 | 12.655 | 0.001 | 12.656 | 0.000 | 2715.886 |