! Freq RIJCOSX r2scan-3c
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
4800
%pal nprocs 16
end
*xyz 0 1
C    0.06700112  -0.06792164  -0.79394057 
C   -0.49102729   1.32426163  -0.52983919 
C   -0.04828833   2.11884564   0.52657548 
C   -0.61911415   3.36836607   0.75964973 
C   -1.63536703   3.84080913  -0.06300773 
C   -2.08100563   3.05459449  -1.12347026 
C   -1.51339364   1.80742302  -1.35162631 
C   -0.88435016  -1.16868394  -0.34491703 
C   -0.77705160  -2.43412478  -0.92831249 
C   -1.59606659  -3.47879264  -0.51843199 
C   -2.53707128  -3.27437925   0.48841773 
C   -2.65066964  -2.01903808   1.07490414 
C   -1.83141370  -0.97160565   0.65915419 
C    1.46834562  -0.24903274  -0.22802831 
C    2.55020738   0.31983194  -0.90530190 
C    3.84082130   0.21441582  -0.40145103 
C    4.06989477  -0.46202715   0.79460250 
C    2.99937797  -1.03096144   1.47567485 
C    1.70686754  -0.92767148   0.96652916 
H    0.15895060  -0.16297776  -1.88629239 
H    0.75206626   1.76081314   1.16811697 
H   -0.26179945   3.97543819   1.58675826 
H   -2.07581624   4.81730082   0.11647926 
H   -2.87176119   3.41599819  -1.77488118 
H   -1.87139742   1.19057298  -2.17344772 
H   -0.03565329  -2.59932844  -1.70747473 
H   -1.50221738  -4.45479109  -0.98625779 
H   -3.17978792  -4.08901122   0.80943577 
H   -3.38369076  -1.84836177   1.85840149 
H   -1.93285198   0.00943374   1.11491037 
H    2.37251681   0.85783333  -1.83426223 
H    4.67069814   0.65868910  -0.94382129 
H    5.07808942  -0.54808908   1.18942332 
H    3.16844756  -1.56408573   2.40704013 
H    0.87651015  -1.38394332   1.49829080 
*
