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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 | -128.6615543 | -129.0144282 | 0.3528739 | 0.0000000 | 129.0144282 | ||||||
| cm-1 | 969.0 | 793.3 | 175.7 | ||||||||
| eV | -3501.059 | 0.120 | -3500.939 | -3510.661 | 0.098 | -3510.563 | 9.602 | 0.022 | 9.624 | 0.000 | 3510.661 |