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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 | -106.8983445 | -107.2991111 | 0.4007666 | 0.0000000 | 107.2991111 | ||||||
| cm-1 | 169.7 | 461.2 | -291.5 | ||||||||
| eV | -2908.852 | 0.021 | -2908.831 | -2919.757 | 0.057 | -2919.700 | 10.905 | -0.036 | 10.869 | 0.000 | 2919.757 |