Filename = //icnas4.cc.ic.ac.uk/sa13018/1styearlab/sa13018_nh3_optf_pop.log

nh3 optmisation
File Name = sa13018_nh3_optf_pop
File Type = .log
Calculation Type = FREQ
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -56.51758647 a.u.
RMS Gradient Norm = 0.04424106 a.u.
Imaginary Freq = 
Dipole Moment = 1.6308 Debye
Point Group = CS
Job cpu time:       0 days  0 hours  0 minutes 33.0 seconds.