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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 | -323.5595271 | -323.7310179 | 0.1714907 | 0.0000000 | 323.7310179 | ||||||
| cm-1 | 55.5 | 72.5 | -17.0 | ||||||||
| eV | -8804.502 | 0.007 | -8804.496 | -8809.169 | 0.009 | -8809.160 | 4.667 | -0.002 | 4.664 | 0.000 | 8809.169 |