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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 | -131.5559707 | -131.8808843 | 0.3249136 | 0.0000000 | 131.8808843 | ||||||
| cm-1 | 8852.1 | 9631.8 | -779.7 | ||||||||
| eV | -3579.820 | 1.098 | -3578.722 | -3588.661 | 1.194 | -3587.467 | 8.841 | -0.097 | 8.745 | 0.000 | 3588.661 |