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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 | -130.0318047 | -130.3890376 | 0.3572330 | 0.0000000 | 130.3890376 | ||||||
| cm-1 | 2828.3 | 2900.4 | -72.1 | ||||||||
| eV | -3538.345 | 0.351 | -3537.995 | -3548.066 | 0.360 | -3547.707 | 9.721 | -0.009 | 9.712 | 0.000 | 3548.066 |