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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 | -132.3224479 | -132.6840800 | 0.3616321 | 0.0000000 | 132.6840800 | ||||||
cm-1 | 9017.8 | 9495.7 | -477.9 | ||||||||
eV | -3600.677 | 1.118 | -3599.559 | -3610.517 | 1.177 | -3609.340 | 9.841 | -0.059 | 9.781 | 0.000 | 3610.517 |