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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 | -17.4605663 | -17.7885939 | 0.3280276 | 0.0000000 | 17.7885939 | ||||||
| cm-1 | 622.6 | 294.6 | 328.0 | ||||||||
| eV | -475.126 | 0.077 | -475.049 | -484.052 | 0.037 | -484.016 | 8.926 | 0.041 | 8.967 | 0.000 | 484.052 |