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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 | -15.4981317 | -15.9240465 | 0.4259148 | 0.0000000 | 15.9240465 | ||||||
| cm-1 | 1732.0 | 2780.4 | -1048.4 | ||||||||
| eV | -421.726 | 0.215 | -421.511 | -433.315 | 0.345 | -432.971 | 11.590 | -0.130 | 11.460 | 0.000 | 433.315 |