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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 | -118.2057114 | -117.9048125 | -0.3008988 | 0.0000000 | 117.9048125 | ||||||
| cm-1 | 18611.0 | 16834.8 | 1776.2 | ||||||||
| eV | -3216.541 | 2.307 | -3214.234 | -3208.353 | 2.087 | -3206.266 | -8.188 | 0.220 | -7.968 | 0.000 | 3208.353 |