Filename = //ic.ac.uk/homes/msm11/Desktop/msm11 - 3rd year lab - inorganic/9. al2cl4br2 1st molecule/MSM11 - AL2CL4BR2 1ST MOLECULE 1ST OPT.LOG

msm11 - al2cl4br2 molecule 1 first optimisation
File Name = MSM11 - AL2CL4BR2 1ST MOLECULE 1ST OPT
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RB3LYP) = -7438.22882967 a.u.
RMS Gradient Norm = 0.00001886 a.u.
Imaginary Freq = 
Dipole Moment = 2.1747 Debye
Point Group = C1
Job cpu time:       0 days  0 hours  1 minutes 53.0 seconds.