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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 | -609.9164580 | -610.2986510 | 0.3821930 | 0.0000000 | 610.2986510 | ||||||
| cm-1 | 1472.6 | 1247.0 | 225.7 | ||||||||
| eV | -16596.671 | 0.183 | -16596.488 | -16607.071 | 0.155 | -16606.916 | 10.400 | 0.028 | 10.428 | 0.000 | 16607.071 |