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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 | -2233.5215209 | -2233.8662287 | 0.3447078 | 0.0000000 | 2233.8662287 | ||||||
| cm-1 | 4757.1 | 4790.6 | -33.5 | ||||||||
| eV | -60777.211 | 0.590 | -60776.622 | -60786.591 | 0.594 | -60785.997 | 9.380 | -0.004 | 9.376 | 0.000 | 60786.591 |