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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 | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -397.2970310 | -397.7014389 | 0.4044079 | 0.0000000 | 397.7014389 | ||||||
| cm-1 | 1211.8 | 1291.4 | -79.6 | ||||||||
| eV | -10811.002 | 0.150 | -10810.852 | -10822.007 | 0.160 | -10821.846 | 11.004 | -0.010 | 10.995 | 0.000 | 10822.007 |