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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 | -994.3650573 | -994.7006508 | 0.3355935 | 0.0000000 | 994.7006508 | ||||||
| cm-1 | 2427.0 | 2462.2 | -35.2 | ||||||||
| eV | -27058.049 | 0.301 | -27057.748 | -27067.181 | 0.305 | -27066.876 | 9.132 | -0.004 | 9.128 | 0.000 | 27067.181 |