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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 | -2660.3615471 | -2660.7694939 | 0.4079468 | 0.0000000 | 2660.7694939 | ||||||
| cm-1 | 355.7 | 322.0 | 33.8 | ||||||||
| eV | -72392.119 | 0.044 | -72392.075 | -72403.220 | 0.040 | -72403.180 | 11.101 | 0.004 | 11.105 | 0.000 | 72403.220 |