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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 | -92.1241694 | -92.6812947 | 0.5571253 | 0.0000000 | 92.6812947 | ||||||
| cm-1 | 1012.9 | 1043.6 | -30.7 | ||||||||
| eV | -2506.826 | 0.126 | -2506.701 | -2521.986 | 0.129 | -2521.857 | 15.160 | -0.004 | 15.156 | 0.000 | 2521.986 |