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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 | -1.2763965 | -1.5870659 | 0.3106694 | 0.0000000 | 1.5870659 | ||||||
| cm-1 | 1030.8 | 948.7 | 82.1 | ||||||||
| eV | -34.733 | 0.128 | -34.605 | -43.186 | 0.118 | -43.069 | 8.454 | 0.010 | 8.464 | 0.000 | 43.186 |