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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 | -258.4062607 | -258.5331625 | 0.1269018 | 0.0000000 | 258.5331625 | ||||||
| cm-1 | 244.2 | 388.0 | -143.8 | ||||||||
| eV | -7031.592 | 0.030 | -7031.562 | -7035.045 | 0.048 | -7034.997 | 3.453 | -0.018 | 3.435 | 0.000 | 7035.045 |