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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 | -626.3740456 | -626.6768909 | 0.3028453 | 0.0000000 | 626.6768909 | ||||||
| cm-1 | 252.6 | 343.3 | -90.7 | ||||||||
| eV | -17044.505 | 0.031 | -17044.473 | -17052.745 | 0.043 | -17052.703 | 8.241 | -0.011 | 8.230 | 0.000 | 17052.745 |