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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 | -151.9579569 | -152.2973857 | 0.3394288 | 0.0000000 | 152.2973857 | ||||||
| cm-1 | 11641.5 | 12003.2 | -361.7 | ||||||||
| eV | -4134.986 | 1.443 | -4133.543 | -4144.223 | 1.488 | -4142.734 | 9.236 | -0.045 | 9.191 | 0.000 | 4144.223 |