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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 | -56.0468630 | -56.3952136 | 0.3483506 | 0.0000000 | 56.3952136 | ||||||
cm-1 | 7029.7 | 7407.1 | -377.4 | ||||||||
eV | -1525.113 | 0.872 | -1524.241 | -1534.592 | 0.918 | -1533.673 | 9.479 | -0.047 | 9.432 | 0.000 | 1534.592 |