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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 | -288.7749754 | -289.0859023 | 0.3109269 | 0.0000000 | 289.0859023 | ||||||
| cm-1 | 1023.4 | 965.5 | 57.9 | ||||||||
| eV | -7857.967 | 0.127 | -7857.840 | -7866.427 | 0.120 | -7866.308 | 8.461 | 0.007 | 8.468 | 0.000 | 7866.427 |