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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 | -152.9497875 | -153.3136159 | 0.3638284 | 0.0000000 | 153.3136159 | ||||||
| cm-1 | 11540.7 | 12026.2 | -485.5 | ||||||||
| eV | -4161.975 | 1.431 | -4160.545 | -4171.876 | 1.491 | -4170.385 | 9.900 | -0.060 | 9.840 | 0.000 | 4171.876 |