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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 | -761.9284281 | -762.0883940 | 0.1599660 | 0.0000000 | 762.0883940 | ||||||
| cm-1 | 40.5 | 58.3 | -17.9 | ||||||||
| eV | -20733.127 | 0.005 | -20733.122 | -20737.480 | 0.007 | -20737.473 | 4.353 | -0.002 | 4.351 | 0.000 | 20737.480 |