! Freq RIJCOSX PBEh-3c
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
4800
%pal nprocs 8
end
*xyz 0 1
N    1.03306600   0.06552134   0.32512895 
C    2.46497737   0.25096954   0.05970339 
C    3.32884890  -0.76384846   0.81485802 
C    2.80421337   1.66605583   0.53000076 
C    2.73322093   0.14976718  -1.44162113 
Se   0.11134970  -1.30756792  -0.46232792 
N   -1.36514892  -0.93981595   0.58524457 
C   -2.52362198  -0.25108148  -0.00003430 
C   -2.08095646   1.08626646  -0.58875688 
C   -3.48253501   0.01069458   1.16196673 
C   -3.22993758  -1.08994947  -1.06991502 
O    0.59460224  -2.73545893   0.12119885 
H    0.82174606   0.08560990   1.32029535 
H    3.17396074  -0.67891072   1.89253013 
H    4.38992805  -0.59517747   0.62245721 
H    3.08711072  -1.78638156   0.52733034 
H    2.59682971   1.78820601   1.59525277 
H    3.86268960   1.88131635   0.37659335 
H    2.21857295   2.40784697  -0.01322459 
H    3.75791254   0.45633614  -1.65281895 
H    2.62937509  -0.86993295  -1.81937179 
H    2.06536548   0.80038360  -2.00823251 
H   -1.63238542  -1.82061519   1.01963783 
H   -1.45013802   0.96695111  -1.47194962 
H   -2.95374265   1.66286161  -0.89752783 
H   -1.52124026   1.66952090   0.14118330 
H   -4.37356238   0.53709943   0.81692021 
H   -3.81297940  -0.92159780   1.62547123 
H   -3.00170583   0.61735121   1.92888944 
H   -3.53537746  -2.05947667  -0.67119410 
H   -2.58442004  -1.27175521  -1.93151726 
H   -4.12601802  -0.58658840  -1.43627053 
*
