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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 | -342.7480700 | -343.1064404 | 0.3583704 | 0.0000000 | 343.1064404 | ||||||
| cm-1 | 5210.8 | 5289.4 | -78.6 | ||||||||
| eV | -9326.649 | 0.646 | -9326.003 | -9336.401 | 0.656 | -9335.745 | 9.752 | -0.010 | 9.742 | 0.000 | 9336.401 |