Filename = H:\Lab Reports\3rd Year\Computational Labs\Module 2\Mini project\Hydrogen Peroxide\B3LYP 631G dp ultrafine app.log

B3LYP 321G dp ultrafine app
File Name = B3LYP 631G dp ultrafine app
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -151.54211132 a.u.
RMS Gradient Norm = 0.00011735 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group = C2H
Job cpu time:  0 days  0 hours  0 minutes 14.0 seconds.