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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 | -609.7361472 | -610.1320749 | 0.3959277 | 0.0000000 | 610.1320749 | ||||||
| cm-1 | 1400.8 | 1192.6 | 208.2 | ||||||||
| eV | -16591.764 | 0.174 | -16591.591 | -16602.538 | 0.148 | -16602.390 | 10.774 | 0.026 | 10.800 | 0.000 | 16602.538 |