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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 | -78.9384993 | -79.3493758 | 0.4108765 | 0.0000000 | 79.3493758 | ||||||
| cm-1 | 14610.8 | 16074.9 | -1464.1 | ||||||||
| eV | -2148.026 | 1.812 | -2146.214 | -2159.206 | 1.993 | -2157.213 | 11.181 | -0.182 | 10.999 | 0.000 | 2159.206 |