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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 | -395.6807285 | -396.1113677 | 0.4306392 | 0.0000000 | 396.1113677 | ||||||
| cm-1 | 655.0 | 671.7 | -16.7 | ||||||||
| eV | -10767.020 | 0.081 | -10766.939 | -10778.738 | 0.083 | -10778.655 | 11.718 | -0.002 | 11.716 | 0.000 | 10778.738 |