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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 | -92.7890573 | -93.2838816 | 0.4948243 | 0.0000000 | 93.2838816 | ||||||
| cm-1 | 3072.3 | 3407.2 | -335.0 | ||||||||
| eV | -2524.919 | 0.381 | -2524.538 | -2538.384 | 0.422 | -2537.961 | 13.465 | -0.042 | 13.423 | 0.000 | 2538.384 |