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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 | -796.0145369 | -796.3655702 | 0.3510332 | 0.0000000 | 796.3655702 | ||||||
| cm-1 | 383.7 | 330.1 | 53.6 | ||||||||
| eV | -21660.657 | 0.048 | -21660.610 | -21670.209 | 0.041 | -21670.168 | 9.552 | 0.007 | 9.559 | 0.000 | 21670.209 |