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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 | -48.9902759 | -49.3312245 | 0.3409486 | 0.0000000 | 49.3312245 | ||||||
| cm-1 | 188.1 | 503.6 | -315.5 | ||||||||
| eV | -1333.093 | 0.023 | -1333.070 | -1342.371 | 0.062 | -1342.308 | 9.278 | -0.039 | 9.239 | 0.000 | 1342.371 |