Filename = H:\1st year comp lab mol mod 2\H2 optimisation.log H2 Optimisation data File Name = H2 optimisation File Type = .log Calculation Type = FREQ Calculation Method = RB3LYP Basis Set = 6-31G(d,p) Charge = 0 Spin = Singlet E(RB3LYP) = -1.17853936 a.u. RMS Gradient Norm = 0.00000017 a.u. Imaginary Freq = 0 Dipole Moment = 0.0000 Debye Point Group = D*H Job cpu time: 0 days 0 hours 0 minutes 8.0 seconds.