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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 | -738.1916957 | -738.4633186 | 0.2716229 | 0.0000000 | 738.4633186 | ||||||
| cm-1 | 392.5 | 359.3 | 33.2 | ||||||||
| eV | -20087.218 | 0.049 | -20087.169 | -20094.609 | 0.045 | -20094.564 | 7.391 | 0.004 | 7.395 | 0.000 | 20094.609 |