! 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 2 1
N    1.32243530   0.27826245  -0.53883374 
C    2.78099915  -0.05622284  -0.27049686 
C    2.88617442  -0.93665336   0.95933910 
C    3.48028002   1.28977412  -0.07149339 
C    3.27491420  -0.76768172  -1.53134612 
Se   0.03414980  -0.28177785   0.42491942 
N   -1.39320250   0.35253148  -0.25467567 
C   -2.78261189   0.06624338   0.29417640 
C   -3.53478942  -0.62644931  -0.84455010 
C   -3.38553872   1.43311914   0.62159366 
C   -2.67329242  -0.81706755   1.52179839 
H    1.15820599   0.87565804  -1.35461875 
H    2.54481528  -0.44613503   1.87702602 
H    2.40124388  -1.91207593   0.84447649 
H    3.93892710  -1.16096141   1.13111910 
H    4.54365752   1.09936261   0.07690495 
H    3.39269809   1.93691152  -0.94483467 
H    3.11131874   1.81957199   0.80598937 
H    4.33533435  -0.98596799  -1.40093198 
H    3.18766388  -0.14472746  -2.42229995 
H    2.75976249  -1.71211461  -1.70407872 
H   -1.36914316   0.95440876  -1.08340141 
H   -3.60369457  -0.00402615  -1.73726223 
H   -3.08905788  -1.58462390  -1.10924003 
H   -4.55499249  -0.81486153  -0.50870670 
H   -3.44717912   2.07981016  -0.25419477 
H   -2.83803977   1.94839845   1.40992845 
H   -4.40624852   1.27665146   0.97198928 
H   -3.67851245  -1.00654551   1.89834929 
H   -2.13970573  -0.34486523   2.35321676 
H   -2.25627154  -1.80794616   1.31233845 
*
