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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 | -477.0774250 | -477.3935278 | 0.3161028 | 0.0000000 | 477.3935278 | ||||||
| cm-1 | 16213.3 | 16433.7 | -220.4 | ||||||||
| eV | -12981.937 | 2.010 | -12979.927 | -12990.539 | 2.038 | -12988.501 | 8.602 | -0.027 | 8.574 | 0.000 | 12990.539 |