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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 | -26.1575653 | -26.5986691 | 0.4411038 | 0.0000000 | 26.5986691 | ||||||
| cm-1 | 4519.7 | 5526.5 | -1006.8 | ||||||||
| eV | -711.784 | 0.560 | -711.223 | -723.787 | 0.685 | -723.101 | 12.003 | -0.125 | 11.878 | 0.000 | 723.787 |