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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 | -113.4650631 | -113.7614193 | 0.2963562 | 0.0000000 | 113.7614193 | ||||||
| cm-1 | 2753.7 | 2847.8 | -94.2 | ||||||||
| eV | -3087.541 | 0.341 | -3087.200 | -3095.606 | 0.353 | -3095.253 | 8.064 | -0.012 | 8.053 | 0.000 | 3095.606 |