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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 | -113.8180416 | -114.2072968 | 0.3892551 | 0.0000000 | 114.2072968 | ||||||
| cm-1 | 5183.9 | 5662.5 | -478.7 | ||||||||
| eV | -3097.146 | 0.643 | -3096.504 | -3107.739 | 0.702 | -3107.037 | 10.592 | -0.059 | 10.533 | 0.000 | 3107.739 |