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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 | -152.0851570 | -152.3499241 | 0.2647671 | 0.0000000 | 152.3499241 | ||||||
| cm-1 | 9360.4 | 9119.2 | 241.2 | ||||||||
| eV | -4138.448 | 1.161 | -4137.287 | -4145.652 | 1.131 | -4144.522 | 7.205 | 0.030 | 7.235 | 0.000 | 4145.652 |