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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 | -115.6237272 | -115.9364529 | 0.3127256 | 0.0000000 | 115.9364529 | ||||||
cm-1 | 9032.9 | 8661.3 | 371.6 | ||||||||
eV | -3146.282 | 1.120 | -3145.162 | -3154.791 | 1.074 | -3153.717 | 8.510 | 0.046 | 8.556 | 0.000 | 3154.791 |