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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 | -92.0065295 | -92.4748752 | 0.4683458 | 0.0000000 | 92.4748752 | ||||||
| cm-1 | 1105.4 | 1362.5 | -257.0 | ||||||||
| eV | -2503.625 | 0.137 | -2503.488 | -2516.369 | 0.169 | -2516.200 | 12.744 | -0.032 | 12.712 | 0.000 | 2516.369 |