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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 | -609.7385498 | -610.1429611 | 0.4044113 | 0.0000000 | 610.1429611 | ||||||
| cm-1 | 1401.9 | 1178.3 | 223.5 | ||||||||
| eV | -16591.830 | 0.174 | -16591.656 | -16602.834 | 0.146 | -16602.688 | 11.005 | 0.028 | 11.032 | 0.000 | 16602.834 |