Filename = C:\Users\bea\Desktop\2ndyrlab\00198491bh3optimisation.log Overview Tab Data Section: BH3 Optimisation C:\Users\bea\Desktop\2ndyrlab\00198491bh3optimisation.log File Type = .log Calculation Type = FOPT Calculation Method = RB3LYP Basis Set = 3-21G Charge = 0 Spin = Singlet Solvation = None E(RB3LYP) = -26.462264 Hartree RMS Gradient Norm = 8.8513e-05 Hartree/Bohr Imaginary Freq = Dipole Moment = 0.00028284271 Debye Point Group = CS Job cpu time: 0 days 0 hours 0 minutes 19.0 seconds. Opt Tab Data Section: Step number = 7 Maximum force = 0.00022 Converged RMS force = 0.000106 Converged Maximum displacement = 0.000709 Converged RMS displacement = 0.000447 Converged Predicted energy change = -1.672479e-07 Hartree