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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 | -25.8008633 | -26.2635780 | 0.4627147 | 0.0000000 | 26.2635780 | ||||||
| cm-1 | 4318.6 | 5519.4 | -1200.7 | ||||||||
| eV | -702.077 | 0.535 | -701.542 | -714.668 | 0.684 | -713.984 | 12.591 | -0.149 | 12.442 | 0.000 | 714.668 |