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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 | -91.9105115 | -92.4413191 | 0.5308076 | 0.0000000 | 92.4413191 | ||||||
| cm-1 | 1057.2 | 1258.2 | -201.1 | ||||||||
| eV | -2501.012 | 0.131 | -2500.881 | -2515.456 | 0.156 | -2515.300 | 14.444 | -0.025 | 14.419 | 0.000 | 2515.456 |