Filename = H:\1styearlab\jy01485762_nh3_optf_pop.log

NH3 optimisation
File Name = jy01485762_nh3_optf_pop
File Type = .log
Calculation Type = FREQ
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -56.55776873 a.u.
RMS Gradient Norm = 0.00000485 a.u.
Imaginary Freq = 0
Dipole Moment = 1.8466 Debye
Point Group = C3V
Job cpu time:       0 days  0 hours  0 minutes 36.0 seconds.