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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 | -10.3076665 | -10.5928702 | 0.2852037 | 0.0000000 | 10.5928702 | ||||||
cm-1 | 599.6 | 810.9 | -211.3 | ||||||||
eV | -280.486 | 0.074 | -280.412 | -288.247 | 0.101 | -288.146 | 7.761 | -0.026 | 7.735 | 0.000 | 288.247 |