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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 | -115.3369457 | -115.7231350 | 0.3861893 | 0.0000000 | 115.7231350 | ||||||
| cm-1 | 9994.1 | 10849.8 | -855.7 | ||||||||
| eV | -3138.478 | 1.239 | -3137.239 | -3148.987 | 1.345 | -3147.641 | 10.509 | -0.106 | 10.403 | 0.000 | 3148.987 |