Filename = H:/3rdyearlab/BH3OPTIMISATION.LOG

bh3 optimisation
File Name = BH3OPTIMISATION
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.46226338 a.u.
RMS Gradient Norm = 0.00020672 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:  0 days  0 hours  0 minutes  9.0 seconds.