Filename = //ic.ac.uk/homes/ak7611/Desktop/TlBr3_opt.log

TlBr3 optimisation
File Name = TlBr3_opt
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = LANL2DZ
Charge = 0
Spin = Singlet
E(RB3LYP) = -41.70082783 a.u.
RMS Gradient Norm = 0.00000016 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:       0 days  0 hours  0 minutes 34.1 seconds.