Filename = H:\Lab Reports\3rd Year\Computational Labs\Module 2\Mini project\S2H2\B3LYP 631G ultrafine syn anti clinal.log

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File Name = B3LYP 631G ultrafine syn anti clinal
File Type = .log
Calculation Type = FOPT
Calculation Method = RB3LYP
Basis Set = 6-31G(d,p)
Charge = 0
Spin = Singlet
E(RB3LYP) = -797.57791526 a.u.
RMS Gradient Norm = 0.00005801 a.u.
Imaginary Freq = 
Dipole Moment = 1.4912 Debye
Point Group = C1
Job cpu time:  0 days  0 hours  1 minutes 51.0 seconds.