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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 | -131.2133970 | -131.5540100 | 0.3406131 | 0.0000000 | 131.5540100 | ||||||
| cm-1 | 8457.4 | 8504.3 | -47.0 | ||||||||
| eV | -3570.498 | 1.049 | -3569.450 | -3579.767 | 1.054 | -3578.712 | 9.269 | -0.006 | 9.263 | 0.000 | 3579.767 |