Filename = \\ic.ac.uk\homes\sd2810\COMPUTATION\BH3_optimisation.chk

BH3_optimisation
File Name = BH3_optimisation
File Type = .chk
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
Total Energy = -26.46226433 a.u.
RMS Gradient Norm = 0.00004507 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group =