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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 | -1188.5498557 | -1188.9152218 | 0.3653661 | 0.0000000 | 1188.9152218 | ||||||
| cm-1 | 1094.9 | 773.5 | 321.3 | ||||||||
| eV | -32342.086 | 0.136 | -32341.951 | -32352.028 | 0.096 | -32351.933 | 9.942 | 0.040 | 9.982 | 0.000 | 32352.028 |