Filename = D:\Module3\hexadiene\nm607_hexadiene_structure3_opt2.chk

hexadiene structure 3 2nd optimization
File Name = nm607_hexadiene_structure3_opt2
File Type = .chk
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(D)
Charge = 0
Spin = Singlet
Total Energy = -234.61171035 a.u.
RMS Gradient Norm = 0.00001354 a.u.
Imaginary Freq = 
Dipole Moment = 0.0000 Debye
Point Group =