| |
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 | -49.0517201 | -49.3871246 | 0.3354045 | 0.0000000 | 49.3871246 | ||||||
| cm-1 | 195.3 | 488.7 | -293.4 | ||||||||
| eV | -1334.765 | 0.024 | -1334.741 | -1343.892 | 0.061 | -1343.831 | 9.127 | -0.036 | 9.090 | 0.000 | 1343.892 |