Filename = \\icnas1.cc.ic.ac.uk\lj4717\Desktop\LJ4717_BH3_OPT_6-31GDP_rerun2_dh3.log

BH3 optimisation 6-31G(d,p)
File Name = LJ4717_BH3_OPT_6-31GDP_rerun2_dh3
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.61532363 a.u.
RMS Gradient Norm = 0.00002460 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:       0 days  0 hours  0 minutes 14.0 seconds.