Filename = F:\ines\computational labs\module 2\BH3\BH3 molecule 1st optimisqtion.log Title Card Required File Name = BH3 molecule 1st optimisqtion File Type = .log Calculation Type = FOPT Calculation Method = RB3LYP Basis Set = 3-21G Charge = 0 Spin = Singlet E(RB3LYP) = -26.46226338 a.u. RMS Gradient Norm = 0.00020672 a.u. Imaginary Freq = Dipole Moment = 0.0000 Debye Point Group = D3H Job cpu time: 0 days 0 hours 0 minutes 27.0 seconds.