| |
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 | -129.2235802 | -129.5573225 | 0.3337423 | 0.0000000 | 129.5573225 | ||||||
| cm-1 | 1232.7 | 1485.5 | -252.7 | ||||||||
| eV | -3516.352 | 0.153 | -3516.200 | -3525.434 | 0.184 | -3525.250 | 9.082 | -0.031 | 9.050 | 0.000 | 3525.434 |