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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 | -49.0096912 | -49.3435039 | 0.3338127 | 0.0000000 | 49.3435039 | ||||||
| cm-1 | 198.2 | 489.5 | -291.3 | ||||||||
| eV | -1333.622 | 0.025 | -1333.597 | -1342.705 | 0.061 | -1342.644 | 9.084 | -0.036 | 9.047 | 0.000 | 1342.705 |