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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 | -113.8454973 | -114.2377547 | 0.3922575 | 0.0000000 | 114.2377547 | ||||||
| cm-1 | 5359.3 | 5889.1 | -529.8 | ||||||||
| eV | -3097.894 | 0.664 | -3097.229 | -3108.567 | 0.730 | -3107.837 | 10.674 | -0.066 | 10.608 | 0.000 | 3108.567 |