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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 | -790.9823856 | -791.3303530 | 0.3479674 | 0.0000000 | 791.3303530 | ||||||
| cm-1 | 438.8 | 372.5 | 66.3 | ||||||||
| eV | -21523.725 | 0.054 | -21523.671 | -21533.194 | 0.046 | -21533.148 | 9.469 | 0.008 | 9.477 | 0.000 | 21533.194 |