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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 | -2401.9138039 | -2402.2678366 | 0.3540327 | 0.0000000 | 2402.2678366 | ||||||
| cm-1 | 2883.9 | 2939.4 | -55.5 | ||||||||
| eV | -65359.399 | 0.358 | -65359.041 | -65369.032 | 0.364 | -65368.668 | 9.634 | -0.007 | 9.627 | 0.000 | 65369.032 |