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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 | -396.4178128 | -396.7825610 | 0.3647481 | 0.0000000 | 396.7825610 | ||||||
| cm-1 | 2957.2 | 3063.5 | -106.3 | ||||||||
| eV | -10787.077 | 0.367 | -10786.711 | -10797.003 | 0.380 | -10796.623 | 9.925 | -0.013 | 9.912 | 0.000 | 10797.003 |