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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 | -114.7607914 | -115.0220758 | 0.2612844 | 0.0000000 | 115.0220758 | ||||||
| cm-1 | 8582.6 | 7919.7 | 662.9 | ||||||||
| eV | -3122.800 | 1.064 | -3121.736 | -3129.910 | 0.982 | -3128.928 | 7.110 | 0.082 | 7.192 | 0.000 | 3129.910 |