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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 | -795.9374911 | -796.3127033 | 0.3752122 | 0.0000000 | 796.3127033 | ||||||
| cm-1 | 326.9 | 288.7 | 38.2 | ||||||||
| eV | -21658.561 | 0.041 | -21658.520 | -21668.771 | 0.036 | -21668.735 | 10.210 | 0.005 | 10.215 | 0.000 | 21668.771 |