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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 | -49.0886348 | -49.4193151 | 0.3306803 | 0.0000000 | 49.4193151 | ||||||
| cm-1 | 187.6 | 485.3 | -297.7 | ||||||||
| eV | -1335.770 | 0.023 | -1335.746 | -1344.768 | 0.060 | -1344.708 | 8.998 | -0.037 | 8.961 | 0.000 | 1344.768 |