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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 | -274.9119311 | -275.1975540 | 0.2856229 | 0.0000000 | 275.1975540 | ||||||
| cm-1 | 335.4 | 395.1 | -59.6 | ||||||||
| eV | -7480.734 | 0.042 | -7480.692 | -7488.506 | 0.049 | -7488.457 | 7.772 | -0.007 | 7.765 | 0.000 | 7488.506 |