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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 | -139.1930719 | -139.6406162 | 0.4475443 | 0.0000000 | 139.6406162 | ||||||
| cm-1 | 7325.9 | 8735.2 | -1409.3 | ||||||||
| eV | -3787.636 | 0.908 | -3786.728 | -3799.814 | 1.083 | -3798.731 | 12.178 | -0.175 | 12.004 | 0.000 | 3799.814 |