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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 | -379.0783277 | -379.4648705 | 0.3865428 | 0.0000000 | 379.4648705 | ||||||
| cm-1 | 2771.8 | 2916.5 | -144.6 | ||||||||
| eV | -10315.246 | 0.344 | -10314.902 | -10325.764 | 0.362 | -10325.403 | 10.518 | -0.018 | 10.500 | 0.000 | 10325.764 |