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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 | -15.4072132 | -15.8320787 | 0.4248655 | -15.3890847 | 0.4429940 | ||||||
| cm-1 | 1891.5 | 2739.9 | -848.4 | ||||||||
| eV | -419.252 | 0.235 | -419.017 | -430.813 | 0.340 | -430.473 | 11.561 | -0.105 | 11.456 | -418.758 | 12.054 |