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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 | -640.2784575 | -640.6355453 | 0.3570877 | 0.0000000 | 640.6355453 | ||||||
| cm-1 | 293.2 | 290.7 | 2.5 | ||||||||
| eV | -17422.863 | 0.036 | -17422.827 | -17432.580 | 0.036 | -17432.544 | 9.717 | 0.000 | 9.717 | 0.000 | 17432.580 |