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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 | -469.9760916 | -470.3202556 | 0.3441640 | 0.0000000 | 470.3202556 | ||||||
| cm-1 | 641.7 | 515.1 | 126.7 | ||||||||
| eV | -12788.700 | 0.080 | -12788.620 | -12798.065 | 0.064 | -12798.001 | 9.365 | 0.016 | 9.381 | 0.000 | 12798.065 |