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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 | -2150.4060492 | -2150.8086549 | 0.4026057 | 0.0000000 | 2150.8086549 | ||||||
| cm-1 | 413.1 | 461.0 | -47.9 | ||||||||
| eV | -58515.524 | 0.051 | -58515.473 | -58526.480 | 0.057 | -58526.423 | 10.955 | -0.006 | 10.950 | 0.000 | 58526.480 |