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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 | -82.3977108 | -82.7147102 | 0.3169993 | 0.0000000 | 82.7147102 | ||||||
| cm-1 | 150.0 | 379.2 | -229.3 | ||||||||
| eV | -2242.156 | 0.019 | -2242.137 | -2250.782 | 0.047 | -2250.735 | 8.626 | -0.028 | 8.598 | 0.000 | 2250.782 |