Filename = //ic.ac.uk/homes/wx610/Desktop/3rdyearlab/BH3_OPT.LOG

BH3 optimisation
File Name = BH3_OPT
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.38296912 a.u.
RMS Gradient Norm = 0.03551818 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:  0 days  0 hours  0 minutes 24.0 seconds.