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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 | -290.9332570 | -291.2293742 | 0.2961171 | 0.0000000 | 291.2293742 | ||||||
cm-1 | 4679.3 | 4486.9 | 192.4 | ||||||||
eV | -7916.697 | 0.580 | -7916.116 | -7924.754 | 0.556 | -7924.198 | 8.058 | 0.024 | 8.082 | 0.000 | 7924.754 |