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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 | -130.6543037 | -130.9721091 | 0.3178054 | 0.0000000 | 130.9721091 | ||||||
| cm-1 | 9512.2 | 8117.8 | 1394.4 | ||||||||
| eV | -3555.284 | 1.179 | -3554.105 | -3563.932 | 1.006 | -3562.926 | 8.648 | 0.173 | 8.821 | 0.000 | 3563.932 |