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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 | -2690.7328485 | -2691.1070433 | 0.3741948 | 0.0000000 | 2691.1070433 | ||||||
| cm-1 | 276.8 | 290.0 | -13.2 | ||||||||
| eV | -73218.564 | 0.034 | -73218.530 | -73228.747 | 0.036 | -73228.711 | 10.182 | -0.002 | 10.181 | 0.000 | 73228.747 |