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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 | -150.5131347 | -150.9182296 | 0.4050949 | 0.0000000 | 150.9182296 | ||||||
| cm-1 | 2712.6 | 2940.0 | -227.5 | ||||||||
| eV | -4095.671 | 0.336 | -4095.334 | -4106.694 | 0.365 | -4106.329 | 11.023 | -0.028 | 10.995 | 0.000 | 4106.694 |