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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 | -106.9158829 | -107.3045879 | 0.3887050 | 0.0000000 | 107.3045879 | ||||||
| cm-1 | 151.0 | 479.1 | -328.1 | ||||||||
| eV | -2909.329 | 0.019 | -2909.310 | -2919.906 | 0.059 | -2919.847 | 10.577 | -0.041 | 10.537 | 0.000 | 2919.906 |