Filename = //ic.ac.uk/homes/kk2311/Desktop/3rdyearinorganiccomp/NBO analysis NH3/Optimisation/KK_NH3_OPT_C3V.LOG

NH3_optimisation_C3V
File Name = KK_NH3_OPT_C3V
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -56.55776856 a.u.
RMS Gradient Norm = 0.00000267 a.u.
Imaginary Freq = 
Dipole Moment = 1.8464 Debye
Point Group = C3V
Job cpu time:       0 days  0 hours  0 minutes 17.0 seconds.