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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 | -99.7588900 | -100.3500070 | 0.5911170 | 0.0000000 | 100.3500070 | ||||||
| cm-1 | 1579.0 | 2178.9 | -600.0 | ||||||||
| eV | -2714.577 | 0.196 | -2714.382 | -2730.663 | 0.270 | -2730.392 | 16.085 | -0.074 | 16.011 | 0.000 | 2730.663 |