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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 | -628.6073290 | -628.9585282 | 0.3511992 | 0.0000000 | 628.9585282 | ||||||
| cm-1 | 242.6 | 304.7 | -62.1 | ||||||||
| eV | -17105.275 | 0.030 | -17105.245 | -17114.832 | 0.038 | -17114.794 | 9.557 | -0.008 | 9.549 | 0.000 | 17114.832 |