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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 | -152.6151377 | -152.9337623 | 0.3186246 | 0.0000000 | 152.9337623 | ||||||
| cm-1 | 11438.8 | 11771.7 | -332.9 | ||||||||
| eV | -4152.869 | 1.418 | -4151.451 | -4161.539 | 1.460 | -4160.080 | 8.670 | -0.041 | 8.629 | 0.000 | 4161.539 |