Filename = H:\desktop\3rdyearlab\Day 4\NH3BH3\mwright_nh3bh3_optimisation.log

NH3BH3 optimisation
File Name = mwright_nh3bh3_optimisation
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -83.22468957 a.u.
RMS Gradient Norm = 0.00005842 a.u.
Imaginary Freq = 
Dipole Moment = 5.5651 Debye
Point Group = C1
Job cpu time:  0 days  0 hours  0 minutes 50.0 seconds.