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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 | -150.4500138 | -150.8048707 | 0.3548569 | 0.0000000 | 150.8048707 | ||||||
| cm-1 | 6033.9 | 5892.1 | 141.9 | ||||||||
| eV | -4093.953 | 0.748 | -4093.205 | -4103.609 | 0.731 | -4102.879 | 9.656 | 0.018 | 9.674 | 0.000 | 4103.609 |