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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 | -2022.0460655 | -2022.4293276 | 0.3832620 | 0.0000000 | 2022.4293276 | ||||||
| cm-1 | 327.2 | 288.9 | 38.3 | ||||||||
| eV | -55022.672 | 0.041 | -55022.631 | -55033.101 | 0.036 | -55033.065 | 10.429 | 0.005 | 10.434 | 0.000 | 55033.101 |