Filename = C:\Documents and Settings\em207\My Documents\Computing labs\Module 1\Pictures and chemdraw\Mini project\Post adduct\Nmr stuff\Output files\em207_bh3_opt.log

BH3 Optimisation
File Name = em207_bh3_opt
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RB3LYP) = -26.46226433 a.u.
RMS Gradient Norm = 0.00004507 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = D3H
Job cpu time:  0 days  0 hours  0 minutes 14.0 seconds.