Filename = D:\Module3\hexadiene\nm607_hexadiene_structure3_opt.chk

hexadiene structure 3 optimization
File Name = nm607_hexadiene_structure3_opt
File Type = .chk
Calculation Type = FOPT
Calculation Method = RHF
Basis Set = 3-21G
Charge = 0
Spin = Singlet
Total Energy = -231.69253527 a.u.
RMS Gradient Norm = 0.00001929 a.u.
Imaginary Freq = 
Dipole Moment = 0.0007 Debye
Point Group =