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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 | -25.3585488 | -25.7528625 | 0.3943137 | 0.0000000 | 25.7528625 | ||||||
| cm-1 | 1052.9 | 856.1 | 196.8 | ||||||||
| eV | -690.041 | 0.131 | -689.911 | -700.771 | 0.106 | -700.665 | 10.730 | 0.024 | 10.754 | 0.000 | 700.771 |