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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 | -499.5963997 | -500.0143329 | 0.4179332 | 0.0000000 | 500.0143329 | ||||||
| cm-1 | 7022.0 | 8049.1 | -1027.1 | ||||||||
| eV | -13594.709 | 0.871 | -13593.839 | -13606.082 | 0.998 | -13605.084 | 11.373 | -0.127 | 11.245 | 0.000 | 13606.082 |