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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 | -274.3225358 | -274.5772236 | 0.2546878 | 0.0000000 | 274.5772236 | ||||||
| cm-1 | 341.2 | 332.9 | 8.3 | ||||||||
| eV | -7464.696 | 0.042 | -7464.654 | -7471.626 | 0.041 | -7471.585 | 6.930 | 0.001 | 6.931 | 0.000 | 7471.626 |