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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 | |||||||
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Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -94.0234270 | -94.3897798 | 0.3663528 | 0.0000000 | 94.3897798 | ||||||
cm-1 | 7821.6 | 8394.2 | -572.6 | ||||||||
eV | -2558.508 | 0.970 | -2557.538 | -2568.477 | 1.041 | -2567.436 | 9.969 | -0.071 | 9.898 | 0.000 | 2568.477 |