![]() |
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 | -99.5306324 | -100.0008067 | 0.4701744 | 0.0000000 | 100.0008067 | ||||||
cm-1 | 915.2 | 897.6 | 17.6 | ||||||||
eV | -2708.366 | 0.113 | -2708.253 | -2721.160 | 0.111 | -2721.049 | 12.794 | 0.002 | 12.796 | 0.000 | 2721.160 |