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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 | -958.1099234 | -958.4480798 | 0.3381564 | 0.0000000 | 958.4480798 | ||||||
| cm-1 | 1101.9 | 833.3 | 268.6 | ||||||||
| eV | -26071.497 | 0.137 | -26071.360 | -26080.699 | 0.103 | -26080.595 | 9.202 | 0.033 | 9.235 | 0.000 | 26080.699 |