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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 | -415.7350607 | -416.0291461 | 0.2940854 | 0.0000000 | 416.0291461 | ||||||
| cm-1 | 619.4 | 669.2 | -49.8 | ||||||||
| eV | -11312.726 | 0.077 | -11312.650 | -11320.729 | 0.083 | -11320.646 | 8.002 | -0.006 | 7.996 | 0.000 | 11320.729 |