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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 | -388.0885004 | -388.3424381 | 0.2539377 | 0.0000000 | 388.3424381 | ||||||
| cm-1 | 498.3 | 414.8 | 83.6 | ||||||||
| eV | -10560.425 | 0.062 | -10560.363 | -10567.335 | 0.051 | -10567.284 | 6.910 | 0.010 | 6.920 | 0.000 | 10567.335 |