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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 | -113.9694099 | -114.3546339 | 0.3852240 | 0.0000000 | 114.3546339 | ||||||
| cm-1 | 7247.9 | 8392.4 | -1144.5 | ||||||||
| eV | -3101.265 | 0.899 | -3100.367 | -3111.748 | 1.041 | -3110.707 | 10.482 | -0.142 | 10.341 | 0.000 | 3111.748 |