Filename = //ic.ac.uk/homes/kk2311/Desktop/3rdyearinorganiccomp/NBO analysis NH3/New frequency/KK_NH3_OPT_NEW_FREQ.LOG

NH3_optimisation_new_freq
File Name = KK_NH3_OPT_NEW_FREQ
File Type = .log
Calculation Type = FREQ
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -56.55776872 a.u.
RMS Gradient Norm = 0.00000090 a.u.
Imaginary Freq = 0
Dipole Moment = 1.8465 Debye
Point Group = C1
Job cpu time:       0 days  0 hours  0 minutes 10.0 seconds.