Filename = //ic.ac.uk/homes/maw210/Desktop/3rdyearlab/BH3_631G_dp/BH3_OPT_631G_DP_MAW210.LOG

BH3 optimisation
File Name = BH3_OPT_631G_DP_MAW210
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.61532252 a.u.
RMS Gradient Norm = 0.00021672 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:  0 days  0 hours  0 minutes  7.0 seconds.