Filename = //ic.ac.uk/homes/kk2311/Desktop/3rdyearinorganiccomp/NBO analysis NH3/New MO/KK_NH3_OPT_NEW_NBO.LOG

NH3_optimisation_new_NBO
File Name = KK_NH3_OPT_NEW_NBO
File Type = .log
Calculation Type = SP
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -56.55776872 a.u.
RMS Gradient Norm =  a.u.
Imaginary Freq = 
Dipole Moment = 1.8465 Debye
Point Group = C1
Job cpu time:       0 days  0 hours  0 minutes  4.0 seconds.