Filename = //icnas1.cc.ic.ac.uk/nk1016/Documents/Labs/Computational/InorgCompY2/NK_BH3_OPT_631G.LOG

BH3 optimisation
File Name = NK_BH3_OPT_631G
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.61532360 a.u.
RMS Gradient Norm = 0.00000721 a.u.
Imaginary Freq = 
Dipole Moment = 0.0001 Debye
Point Group = CS
Job cpu time:       0 days  0 hours  0 minutes 26.0 seconds.