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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 | -89.3412769 | -89.6861312 | 0.3448542 | 0.0000000 | 89.6861312 | ||||||
| cm-1 | 614.3 | 746.7 | -132.4 | ||||||||
| eV | -2431.100 | 0.076 | -2431.024 | -2440.484 | 0.093 | -2440.391 | 9.384 | -0.016 | 9.368 | 0.000 | 2440.484 |