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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 | -290.4890036 | -290.7842166 | 0.2952130 | 0.0000000 | 290.7842166 | ||||||
| cm-1 | 4760.1 | 4571.5 | 188.6 | ||||||||
| eV | -7904.608 | 0.590 | -7904.018 | -7912.641 | 0.567 | -7912.074 | 8.033 | 0.023 | 8.057 | 0.000 | 7912.641 |