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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 | -129.5525184 | -129.9054312 | 0.3529128 | 0.0000000 | 129.9054312 | ||||||
| cm-1 | 1158.9 | 921.0 | 237.9 | ||||||||
| eV | -3525.303 | 0.144 | -3525.160 | -3534.907 | 0.114 | -3534.792 | 9.603 | 0.029 | 9.633 | 0.000 | 3534.907 |