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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 | -56.7649514 | -56.9308118 | 0.1658604 | 0.0000000 | 56.9308118 | ||||||
cm-1 | 10523.0 | 9357.8 | 1165.2 | ||||||||
eV | -1544.653 | 1.305 | -1543.348 | -1549.166 | 1.160 | -1548.006 | 4.513 | 0.144 | 4.658 | 0.000 | 1549.166 |