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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 | -26.1594620 | -26.6059592 | 0.4464971 | 0.0000000 | 26.6059592 | ||||||
| cm-1 | 4378.9 | 5567.3 | -1188.4 | ||||||||
| eV | -711.835 | 0.543 | -711.292 | -723.985 | 0.690 | -723.295 | 12.150 | -0.147 | 12.002 | 0.000 | 723.985 |