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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 | -594.8575433 | -595.1391236 | 0.2815803 | 0.0000000 | 595.1391236 | ||||||
| cm-1 | 209.2 | 247.7 | -38.4 | ||||||||
| eV | -16186.897 | 0.026 | -16186.871 | -16194.559 | 0.031 | -16194.528 | 7.662 | -0.005 | 7.657 | 0.000 | 16194.559 |