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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 | -399.9001519 | -400.1297590 | 0.2296071 | 0.0000000 | 400.1297590 | ||||||
| cm-1 | 98.8 | 21.9 | 77.0 | ||||||||
| eV | -10881.837 | 0.012 | -10881.824 | -10888.084 | 0.003 | -10888.082 | 6.248 | 0.010 | 6.257 | 0.000 | 10888.084 |