Filename = \\ic.ac.uk\homes\ak7611\3rdyearlab\ak7611_1_NH3BH3_OPT_631GDP.log

NH3BH3 optimisation
File Name = ak7611_1_NH3BH3_OPT_631GDP
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -83.22468999 a.u.
RMS Gradient Norm = 0.00006050 a.u.
Imaginary Freq = 
Dipole Moment = 5.5650 Debye
Point Group = C1
Job cpu time:       0 days  0 hours  0 minutes 30.0 seconds.