Filename = H:\gaussian\3rd year\1 part a. conformations of hexadiene\dft CONFORMATIONS OF HEXADIENE C.chk

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File Name = dft CONFORMATIONS OF HEXADIENE C
File Type = .chk
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(D)
Charge = 0
Spin = Singlet
Total Energy = -234.61132934 a.u.
RMS Gradient Norm = 0.00000174 a.u.
Imaginary Freq = 
Dipole Moment = 0.3960 Debye
Point Group =