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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 | -152.9313215 | -153.2445135 | 0.3131920 | 0.0000000 | 153.2445135 | ||||||
| cm-1 | 9197.4 | 9121.1 | 76.3 | ||||||||
| eV | -4161.473 | 1.140 | -4160.333 | -4169.995 | 1.131 | -4168.864 | 8.522 | 0.009 | 8.532 | 0.000 | 4169.995 |