Filename = //ic.ac.uk/homes/kk2311/Desktop/Ionic liquids/S/MOs/KK_S_MOS.LOG

KK_S_MOs
File Name = KK_S_MOS
File Type = .log
Calculation Type = SP
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 1
Spin = Singlet
E(RB3LYP) = -517.68327302 a.u.
RMS Gradient Norm =  a.u.
Imaginary Freq = 
Dipole Moment = 0.9651 Debye
Point Group = C3V
Job cpu time:       0 days  0 hours  0 minutes 21.0 seconds.