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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 | -578.4488554 | -578.7899831 | 0.3411277 | 0.0000000 | 578.7899831 | ||||||
| cm-1 | 263.1 | 278.9 | -15.7 | ||||||||
| eV | -15740.394 | 0.033 | -15740.361 | -15749.676 | 0.035 | -15749.642 | 9.283 | -0.002 | 9.281 | 0.000 | 15749.676 |