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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 | -342.7923028 | -342.9679465 | 0.1756437 | 0.0000000 | 342.9679465 | ||||||
| cm-1 | 7484.3 | 6236.1 | 1248.3 | ||||||||
| eV | -9327.853 | 0.928 | -9326.925 | -9332.632 | 0.773 | -9331.859 | 4.780 | 0.155 | 4.934 | 0.000 | 9332.632 |