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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 | -132.2594153 | -132.6210722 | 0.3616568 | 0.0000000 | 132.6210722 | ||||||
| cm-1 | 9092.3 | 9532.0 | -439.8 | ||||||||
| eV | -3598.962 | 1.127 | -3597.834 | -3608.803 | 1.182 | -3607.621 | 9.841 | -0.055 | 9.787 | 0.000 | 3608.803 |