Filename = D:/Module3/hexadiene/nm607_hexadiene_structure1_opt.chk

hexadiene structure 1 optimization
File Name = nm607_hexadiene_structure1_opt
File Type = .chk
Calculation Type = FOPT
Calculation Method = RHF
Basis Set = 3-21G
Charge = 0
Spin = Singlet
Total Energy = -231.69260236 a.u.
RMS Gradient Norm = 0.00001054 a.u.
Imaginary Freq = 
Dipole Moment = 0.2021 Debye
Point Group =