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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 | -15.6248641 | -15.7819397 | 0.1570756 | 0.0000000 | 15.7819397 | ||||||
| cm-1 | 42.7 | 160.0 | -117.3 | ||||||||
| eV | -425.174 | 0.005 | -425.169 | -429.448 | 0.020 | -429.429 | 4.274 | -0.015 | 4.260 | 0.000 | 429.448 |