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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 | -379.5965969 | -379.9863788 | 0.3897819 | 0.0000000 | 379.9863788 | ||||||
| cm-1 | 2820.2 | 2967.4 | -147.2 | ||||||||
| eV | -10329.349 | 0.350 | -10328.999 | -10339.955 | 0.368 | -10339.587 | 10.607 | -0.018 | 10.588 | 0.000 | 10339.955 |