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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 | -150.4877474 | -150.8396535 | 0.3519060 | -150.4333552 | 0.4062983 | ||||||
| cm-1 | 6004.5 | 5889.5 | 114.9 | ||||||||
| eV | -4094.980 | 0.744 | -4094.235 | -4104.556 | 0.730 | -4103.826 | 9.576 | 0.014 | 9.590 | -4093.500 | 11.056 |