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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 | -1398.8472337 | -1399.2684402 | 0.4212066 | 0.0000000 | 1399.2684402 | ||||||
| cm-1 | 1360.1 | 1617.7 | -257.6 | ||||||||
| eV | -38064.569 | 0.169 | -38064.400 | -38076.031 | 0.201 | -38075.830 | 11.462 | -0.032 | 11.430 | 0.000 | 38076.031 |