Filename = \\icnas2.cc.ic.ac.uk\yy3412\Desktop\3rdyearlab\YY_BH3_opt.log

BH3 optimisation
File Name = YY_BH3_opt
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.46226371 a.u.
RMS Gradient Norm = 0.00008756 a.u.
Imaginary Freq = 
Dipole Moment = 0.0003 Debye
Point Group = CS
Job cpu time:       0 days  0 hours  0 minutes 31.0 seconds.