Filename = \\ic.ac.uk\homes\ak7611\3rdyearlab\ak7611_1_BH3_OPT_631Gdp.log

BH3_optimisation _631Gdp
File Name = ak7611_1_BH3_OPT_631Gdp
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 = 0.00000871 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:       0 days  0 hours  0 minutes 12.0 seconds.