Filename = H:\Lab Reports\3rd Year\Computational Labs\Module 3\Part 1\HF 321G MB 250 OPT APP HEXADIENE Anti 3 A.log

Molecule Name
File Name = HF 321G MB 250 OPT APP HEXADIENE Anti 3 A
File Type = .log
Calculation Type = FOPT
Calculation Method = RHF
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RHF) = -231.68907067 a.u.
RMS Gradient Norm = 0.00000533 a.u.
Imaginary Freq = 
Dipole Moment = 0.0001 Debye
Point Group = C1
Job cpu time:  0 days  0 hours  1 minutes 42.0 seconds.