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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 | -48.9227387 | -49.2397643 | 0.3170256 | 0.0000000 | 49.2397643 | ||||||
| cm-1 | 214.5 | 513.7 | -299.2 | ||||||||
| eV | -1331.255 | 0.027 | -1331.229 | -1339.882 | 0.064 | -1339.818 | 8.627 | -0.037 | 8.590 | 0.000 | 1339.882 |