![]() |
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 | -958.8511605 | -959.1517852 | 0.3006246 | 0.0000000 | 959.1517852 | ||||||
cm-1 | 3702.1 | 3325.2 | 376.9 | ||||||||
eV | -26091.667 | 0.459 | -26091.208 | -26099.847 | 0.412 | -26099.435 | 8.180 | 0.047 | 8.227 | 0.000 | 26099.847 |