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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 | -2123.8741525 | -2124.1864445 | 0.3122920 | 0.0000000 | 2124.1864445 | ||||||
| cm-1 | 534.5 | 565.0 | -30.5 | ||||||||
| eV | -57793.555 | 0.066 | -57793.489 | -57802.053 | 0.070 | -57801.983 | 8.498 | -0.004 | 8.494 | 0.000 | 57802.053 |