Filename = //ic.ac.uk/homes/ak7611/Desktop/2_bbr3.log.log

BH3_optimisation _631Gdp
File Name = 2_bbr3.log
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = Gen
Charge = 0
Spin = Singlet
E(RB3LYP) = -64.43645296 a.u.
RMS Gradient Norm = 0.00000382 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:       0 days  0 hours  0 minutes 33.5 seconds.