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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 | -2151.4581071 | -2151.8645224 | 0.4064153 | 0.0000000 | 2151.8645224 | ||||||
| cm-1 | 403.4 | 478.3 | -74.9 | ||||||||
| eV | -58544.152 | 0.050 | -58544.102 | -58555.212 | 0.059 | -58555.152 | 11.059 | -0.009 | 11.050 | 0.000 | 58555.212 |