Filename = //icnas2.cc.ic.ac.uk/dr1415/1styrlab/dr1415_nh3_opt_1.LOG

nh3 optimisation 1
File Name = dr1415_nh3_opt_1
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  9.0 seconds.