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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 | -15.4081733 | -15.8334668 | 0.4252935 | 0.0000000 | 15.8334668 | ||||||
| cm-1 | 1905.9 | 2744.5 | -838.6 | ||||||||
| eV | -419.278 | 0.236 | -419.041 | -430.851 | 0.340 | -430.510 | 11.573 | -0.104 | 11.469 | 0.000 | 430.851 |