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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 | -597.6976201 | -598.0035425 | 0.3059224 | 0.0000000 | 598.0035425 | ||||||
| cm-1 | 4303.6 | 3911.5 | 392.1 | ||||||||
| eV | -16264.179 | 0.534 | -16263.646 | -16272.504 | 0.485 | -16272.019 | 8.325 | 0.049 | 8.373 | 0.000 | 16272.504 |