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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 | -388.2000042 | -388.4611497 | 0.2611454 | 0.0000000 | 388.4611497 | ||||||
| cm-1 | 422.1 | 369.5 | 52.6 | ||||||||
| eV | -10563.459 | 0.052 | -10563.407 | -10570.565 | 0.046 | -10570.520 | 7.106 | 0.007 | 7.113 | 0.000 | 10570.565 |