| |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
| 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 | -342.8068220 | -342.9840841 | 0.1772621 | 0.0000000 | 342.9840841 | ||||||
| cm-1 | 7485.5 | 6298.4 | 1187.1 | ||||||||
| eV | -9328.248 | 0.928 | -9327.320 | -9333.072 | 0.781 | -9332.291 | 4.824 | 0.147 | 4.971 | 0.000 | 9333.072 |