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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 | -2150.3794233 | -2150.8105373 | 0.4311140 | 0.0000000 | 2150.8105373 | ||||||
| cm-1 | 410.5 | 370.1 | 40.4 | ||||||||
| eV | -58514.800 | 0.051 | -58514.749 | -58526.531 | 0.046 | -58526.485 | 11.731 | 0.005 | 11.736 | 0.000 | 58526.531 |