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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 | -153.4087840 | -153.7933304 | 0.3845464 | 0.0000000 | 153.7933304 | ||||||
| cm-1 | 11852.7 | 12601.3 | -748.6 | ||||||||
| eV | -4174.465 | 1.470 | -4172.996 | -4184.929 | 1.562 | -4183.367 | 10.464 | -0.093 | 10.371 | 0.000 | 4184.929 |