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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 | -496.4506263 | -496.8506711 | 0.4000448 | 0.0000000 | 496.8506711 | ||||||
| cm-1 | 7459.4 | 8130.7 | -671.3 | ||||||||
| eV | -13509.109 | 0.925 | -13508.184 | -13519.994 | 1.008 | -13518.986 | 10.886 | -0.083 | 10.803 | 0.000 | 13519.994 |