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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 | -129.3901428 | -129.7272717 | 0.3371290 | 0.0000000 | 129.7272717 | ||||||
| cm-1 | 1133.2 | 872.2 | 261.0 | ||||||||
| eV | -3520.885 | 0.140 | -3520.744 | -3530.059 | 0.108 | -3529.950 | 9.174 | 0.032 | 9.206 | 0.000 | 3530.059 |