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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 | -497.2032153 | -497.6233573 | 0.4201420 | 0.0000000 | 497.6233573 | ||||||
| cm-1 | 7070.1 | 8043.4 | -973.3 | ||||||||
| eV | -13529.588 | 0.877 | -13528.711 | -13541.020 | 0.997 | -13540.023 | 11.433 | -0.121 | 11.312 | 0.000 | 13541.020 |