B12 model with the water, charge=+1, RCowp1

NBO calculation

• RCowp1NBO.fchk
• RCowp1NBO.gjf
• RCowp1NBO.log

Excited States, Nstates=50

• RCowp1TD50.ExcitedState.txt
• RCowp1TD50.fchk
• RCowp1TD50.gjf
• RCowp1TD50.log

Zindo

• RCowp1Zindo.fchk
• RCowp1Zindo.gjf
• RCowp1Zindo.log

Optimization

• RCowp1_c.log