Filename = D:/Module3/hexadiene/NM607_ALLYLFRAGMENT_OPT.LOG

allyl fragment optimization
File Name = NM607_ALLYLFRAGMENT_OPT
File Type = .log
Calculation Type = FOPT
Calculation Method = UHF
Basis Set = 3-21G
Charge = 0
Spin = Doublet
E(UHF) = -115.82304010 a.u.
RMS Gradient Norm = 0.00001104 a.u.
Imaginary Freq = 
Dipole Moment = 0.0292 Debye
Point Group = C1
Job cpu time:  0 days  0 hours  0 minutes 27.0 seconds.