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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 | -673.7681587 | -673.9761103 | 0.2079516 | 0.0000000 | 673.9761103 | ||||||
| cm-1 | 632.7 | 578.4 | 54.3 | ||||||||
| eV | -18334.164 | 0.078 | -18334.086 | -18339.823 | 0.072 | -18339.751 | 5.659 | 0.007 | 5.665 | 0.000 | 18339.823 |