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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 | -391.0624050 | -391.4185852 | 0.3561802 | 0.0000000 | 391.4185852 | ||||||
| cm-1 | 479.7 | 638.0 | -158.4 | ||||||||
| eV | -10641.349 | 0.059 | -10641.290 | -10651.041 | 0.079 | -10650.962 | 9.692 | -0.020 | 9.673 | 0.000 | 10651.041 |