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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 | -416.2327685 | -416.5450419 | 0.3122733 | 0.0000000 | 416.5450419 | ||||||
| cm-1 | 707.4 | 606.0 | 101.3 | ||||||||
| eV | -11326.270 | 0.088 | -11326.182 | -11334.767 | 0.075 | -11334.692 | 8.497 | 0.013 | 8.510 | 0.000 | 11334.767 |