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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 | -261.8106042 | -262.1573606 | 0.3467563 | 0.0000000 | 262.1573606 | ||||||
| cm-1 | 73.6 | 268.8 | -195.2 | ||||||||
| eV | -7124.229 | 0.009 | -7124.220 | -7133.665 | 0.033 | -7133.631 | 9.436 | -0.024 | 9.412 | 0.000 | 7133.665 |