Filename = //ic.ac.uk/homes/ak7611/3rdyearlab/ak7611_1_BH3_OPT.LOG

BHS optimisation
File Name = ak7611_1_BH3_OPT
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 11.0 seconds.