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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 | -150.4862604 | -150.8950126 | 0.4087522 | 0.0000000 | 150.8950126 | ||||||
| cm-1 | 2728.0 | 2933.8 | -205.9 | ||||||||
| eV | -4094.939 | 0.338 | -4094.601 | -4106.062 | 0.364 | -4105.698 | 11.123 | -0.026 | 11.097 | 0.000 | 4106.062 |