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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 | -343.4308993 | -343.6345630 | 0.2036637 | 0.0000000 | 343.6345630 | ||||||
| cm-1 | 7284.9 | 6293.4 | 991.5 | ||||||||
| eV | -9345.230 | 0.903 | -9344.327 | -9350.772 | 0.780 | -9349.992 | 5.542 | 0.123 | 5.665 | 0.000 | 9350.772 |