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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 | -437.6997698 | -438.0350159 | 0.3352462 | 0.0000000 | 438.0350159 | ||||||
| cm-1 | 9629.1 | 9831.1 | -202.0 | ||||||||
| eV | -11910.416 | 1.194 | -11909.223 | -11919.539 | 1.219 | -11918.320 | 9.123 | -0.025 | 9.097 | 0.000 | 11919.539 |