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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 | -153.0709961 | -153.4476880 | 0.3766919 | 0.0000000 | 153.4476880 | ||||||
cm-1 | 11704.0 | 12180.6 | -476.6 | ||||||||
eV | -4165.274 | 1.451 | -4163.823 | -4175.524 | 1.510 | -4174.014 | 10.250 | -0.059 | 10.191 | 0.000 | 4175.524 |