Filename = \\ic.ac.uk\homes\mb3210\Matt\3rdyearcomplab\bh3_opt.chk

BH3 optimisation
File Name = bh3_opt
File Type = .chk
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
Total Energy = -26.46226338 a.u.
RMS Gradient Norm = 0.00020672 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group =