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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 | -149.9249929 | -150.3354361 | 0.4104431 | 0.0000000 | 150.3354361 | ||||||
| cm-1 | 2624.3 | 2869.8 | -245.5 | ||||||||
| eV | -4079.667 | 0.325 | -4079.341 | -4090.835 | 0.356 | -4090.479 | 11.169 | -0.030 | 11.138 | 0.000 | 4090.835 |