Filename = //ic.ac.uk/homes/msm11/Desktop/msm11 - 3rd year lab - inorganic/2. bh3 2nd optimisation - Copy/MSM11 - BH3 3RD OPTIMISATION.LOG

bh3 second optimisation
File Name = MSM11 - BH3 3RD OPTIMISATION
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.61532364 a.u.
RMS Gradient Norm = 0.00000162 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:       0 days  0 hours  0 minutes  4.0 seconds.