Filename = D:/Module3/hexadiene/NM607_BOAT_IRC50FORCECONSTANTS_OPT.LOG

boat IRC50 with force constants optimization
File Name = NM607_BOAT_IRC50FORCECONSTANTS_OPT
File Type = .log
Calculation Type = FOPT
Calculation Method = RHF
Basis Set = 3-21G
Charge = 0
Spin = Singlet
E(RHF) = -231.68302525 a.u.
RMS Gradient Norm = 0.00000636 a.u.
Imaginary Freq = 
Dipole Moment = 0.3640 Debye
Point Group = C1
Job cpu time:  0 days  0 hours  0 minutes 10.0 seconds.