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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 | -116.6524889 | -116.3080728 | -0.3444161 | 0.0000000 | 116.3080728 | ||||||
| cm-1 | 18518.6 | 17035.6 | 1483.0 | ||||||||
| eV | -3174.276 | 2.296 | -3171.980 | -3164.904 | 2.112 | -3162.791 | -9.372 | 0.184 | -9.188 | 0.000 | 3164.904 |