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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 | -211.3527549 | -211.7050440 | 0.3522891 | 0.0000000 | 211.7050440 | ||||||
| cm-1 | 2237.9 | 1702.8 | 535.2 | ||||||||
| eV | -5751.201 | 0.277 | -5750.923 | -5760.787 | 0.211 | -5760.576 | 9.586 | 0.066 | 9.653 | 0.000 | 5760.787 |