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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 | -44.1510727 | -44.4939083 | 0.3428356 | 0.0000000 | 44.4939083 | ||||||
| cm-1 | 3928.9 | 3639.6 | 289.3 | ||||||||
| eV | -1201.412 | 0.487 | -1200.925 | -1210.741 | 0.451 | -1210.290 | 9.329 | 0.036 | 9.365 | 0.000 | 1210.741 |