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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 | -474.6968850 | -475.0144057 | 0.3175208 | 0.0000000 | 475.0144057 | ||||||
| cm-1 | 489.4 | 396.1 | 93.4 | ||||||||
| eV | -12917.159 | 0.061 | -12917.098 | -12925.799 | 0.049 | -12925.750 | 8.640 | 0.012 | 8.652 | 0.000 | 12925.799 |