![]() |
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 | -94.1983324 | -94.5562852 | 0.3579528 | 0.0000000 | 94.5562852 | ||||||
cm-1 | 8041.7 | 8845.3 | -803.6 | ||||||||
eV | -2563.267 | 0.997 | -2562.270 | -2573.007 | 1.097 | -2571.911 | 9.740 | -0.100 | 9.641 | 0.000 | 2573.007 |