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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 | -1418.3256094 | -1418.6234769 | 0.2978675 | -1418.3017679 | 0.3217090 | ||||||
| cm-1 | 1816.8 | 1494.7 | 322.1 | ||||||||
| eV | -38594.603 | 0.225 | -38594.377 | -38602.708 | 0.185 | -38602.523 | 8.105 | 0.040 | 8.145 | -38593.954 | 8.754 |