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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 | -278.3411673 | -278.8114047 | 0.4702374 | 0.0000000 | 278.8114047 | ||||||
| cm-1 | 2709.3 | 3059.7 | -350.4 | ||||||||
| eV | -7574.048 | 0.336 | -7573.712 | -7586.844 | 0.379 | -7586.465 | 12.796 | -0.043 | 12.752 | 0.000 | 7586.844 |