Filename = \\ic.ac.uk\homes\kk2311\Desktop\3rdyearinorganiccomp\Better optimisation\KK_BH3_OPT631G.log

BH3 optimisation 2
File Name = KK_BH3_OPT631G
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 = 0.00000687 a.u.
Imaginary Freq = 
Dipole Moment = 0.0001 Debye
Point Group = CS
Job cpu time:       0 days  0 hours  0 minutes  5.0 seconds.