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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 | -2400.3698107 | -2400.7253499 | 0.3555392 | 0.0000000 | 2400.7253499 | ||||||
| cm-1 | 1147.7 | 1199.0 | -51.3 | ||||||||
| eV | -65317.384 | 0.142 | -65317.242 | -65327.059 | 0.149 | -65326.910 | 9.675 | -0.006 | 9.668 | 0.000 | 65327.059 |