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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 | -114.0510122 | -114.4483108 | 0.3972985 | 0.0000000 | 114.4483108 | ||||||
| cm-1 | 5102.1 | 5669.3 | -567.2 | ||||||||
| eV | -3103.486 | 0.633 | -3102.853 | -3114.297 | 0.703 | -3113.594 | 10.811 | -0.070 | 10.741 | 0.000 | 3114.297 |