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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 | -472.4179428 | -472.7407961 | 0.3228534 | 0.0000000 | 472.7407961 | ||||||
| cm-1 | 489.5 | 389.3 | 100.2 | ||||||||
| eV | -12855.146 | 0.061 | -12855.085 | -12863.931 | 0.048 | -12863.883 | 8.785 | 0.012 | 8.798 | 0.000 | 12863.931 |