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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 | -1402.8983322 | -1403.3339386 | 0.4356064 | 0.0000000 | 1403.3339386 | ||||||
| cm-1 | 1825.9 | 1590.3 | 235.6 | ||||||||
| eV | -38174.805 | 0.226 | -38174.579 | -38186.658 | 0.197 | -38186.461 | 11.853 | 0.029 | 11.883 | 0.000 | 38186.658 |