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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 | -261.2077556 | -261.5323239 | 0.3245683 | 0.0000000 | 261.5323239 | ||||||
| cm-1 | 72.4 | 281.7 | -209.3 | ||||||||
| eV | -7107.825 | 0.009 | -7107.816 | -7116.656 | 0.035 | -7116.622 | 8.832 | -0.026 | 8.806 | 0.000 | 7116.656 |