Filename = H:/Lab Reports/3rd Year/Computational Labs/Module 3/Part 1/HF 321G 250 MB OPT HEXADIENE.LOG

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File Name = HF 321G 250 MB OPT HEXADIENE
File Type = .log
Calculation Type = FOPT
Calculation Method = RHF
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RHF) = -231.68916020 a.u.
RMS Gradient Norm = 0.00000669 a.u.
Imaginary Freq = 
Dipole Moment = 0.5361 Debye
Point Group = C1
Job cpu time:  0 days  0 hours  1 minutes 43.0 seconds.