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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 | -188.1097741 | -188.3926910 | 0.2829169 | 0.0000000 | 188.3926910 | ||||||
| cm-1 | 4290.9 | 4313.8 | -23.0 | ||||||||
| eV | -5118.727 | 0.532 | -5118.195 | -5126.426 | 0.535 | -5125.891 | 7.699 | -0.003 | 7.696 | 0.000 | 5126.426 |