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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 | -93.4428914 | -93.6686334 | 0.2257420 | 0.0000000 | 93.6686334 | ||||||
| cm-1 | 5744.1 | 5766.8 | -22.7 | ||||||||
| eV | -2542.710 | 0.712 | -2541.998 | -2548.853 | 0.715 | -2548.138 | 6.143 | -0.003 | 6.140 | 0.000 | 2548.853 |