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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 | -188.6897039 | -188.9864113 | 0.2967074 | 0.0000000 | 188.9864113 | ||||||
| cm-1 | 4589.6 | 4496.0 | 93.6 | ||||||||
| eV | -5134.508 | 0.569 | -5133.939 | -5142.582 | 0.557 | -5142.024 | 8.074 | 0.012 | 8.085 | 0.000 | 5142.582 |