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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 | -129.7919507 | -130.1348995 | 0.3429488 | 0.0000000 | 130.1348995 | ||||||
| cm-1 | 2828.0 | 2887.4 | -59.4 | ||||||||
| eV | -3531.819 | 0.351 | -3531.468 | -3541.151 | 0.358 | -3540.793 | 9.332 | -0.007 | 9.325 | 0.000 | 3541.151 |