Sorry. I lost your molecule. Please back up and try again.
return to home page 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

Calculated Ionization Energy for for CSe (Carbon monoselenide)

2009091E

G3B3

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -2438.5669980     -2438.9706510     0.4036530     0.0000000 2438.9706510
cm-1   569.1     528.7     40.4      
eV -66356.783 0.071 -66356.712 -66367.767 0.066 -66367.701 10.984 0.005 10.989 0.000 66367.767
A scaling factor of 1 was used for the vibrational zero-point energy (VZPE).