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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 | -1416.0261196 | -1416.3287221 | 0.3026025 | 0.0000000 | 1416.3287221 | ||||||
| cm-1 | 1845.2 | 1560.3 | 284.9 | ||||||||
| eV | -38532.030 | 0.229 | -38531.802 | -38540.265 | 0.193 | -38540.071 | 8.234 | 0.035 | 8.270 | 0.000 | 38540.265 |