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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 | -153.4140959 | -153.7990078 | 0.3849119 | 0.0000000 | 153.7990078 | ||||||
| cm-1 | 11464.4 | 12170.6 | -706.2 | ||||||||
| eV | -4174.610 | 1.421 | -4173.188 | -4185.084 | 1.509 | -4183.575 | 10.474 | -0.088 | 10.386 | 0.000 | 4185.084 |