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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 | -548.1311964 | -548.5836030 | 0.4524065 | 0.0000000 | 548.5836030 | ||||||
| cm-1 | 1346.2 | 1500.8 | -154.6 | ||||||||
| eV | -14915.408 | 0.167 | -14915.241 | -14927.719 | 0.186 | -14927.533 | 12.311 | -0.019 | 12.291 | 0.000 | 14927.719 |