Filename = \\ic.ac.uk\homes\sd2810\COMPUTATION\BH3_OPTIMISATION_6-31G2.chk

BH3_optimisation_6-31G
File Name = BH3_OPTIMISATION_6-31G2
File Type = .chk
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(D,P)
Charge = 0
Spin = Singlet
Total Energy = -26.61532363 a.u.
RMS Gradient Norm = 0.00000202 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group =