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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 | -150.4845377 | -150.8997455 | 0.4152078 | 0.0000000 | 150.8997455 | ||||||
| cm-1 | 2806.1 | 3038.7 | -232.6 | ||||||||
| eV | -4094.893 | 0.348 | -4094.545 | -4106.191 | 0.377 | -4105.814 | 11.298 | -0.029 | 11.270 | 0.000 | 4106.191 |