|   | 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 | -75.3975352 | -75.8053313 | 0.4077961 | 0.0000000 | 75.8053313 | ||||||
| cm-1 | 640.5 | 919.8 | -279.4 | ||||||||
| eV | -2051.671 | 0.079 | -2051.592 | -2062.768 | 0.114 | -2062.654 | 11.097 | -0.035 | 11.062 | 0.000 | 2062.768 |