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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 | -56.0510355 | -56.4044957 | 0.3534602 | 0.0000000 | 56.4044957 | ||||||
cm-1 | 6959.4 | 7322.0 | -362.7 | ||||||||
eV | -1525.226 | 0.863 | -1524.363 | -1534.844 | 0.908 | -1533.937 | 9.618 | -0.045 | 9.573 | 0.000 | 1534.844 |