Filename = \\ic.ac.uk\homes\kk2311\Desktop\3rdyearinorganiccomp\NBO analysis NH3\New optimisation\KK_NH3_opt_new.log

NH3_optimisation_new
File Name = KK_NH3_opt_new
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -56.55776872 a.u.
RMS Gradient Norm = 0.00000095 a.u.
Imaginary Freq = 
Dipole Moment = 1.8465 Debye
Point Group = C1
Job cpu time:       0 days  0 hours  0 minutes 18.0 seconds.