! Freq RIJCOSX r2scan-3c CPCM(CH2Cl2)
%cpcm
surfacetype vdw_gaussian
end
%output 
xyzfile=True 
end 
%scf 
maxiter 250 
end
%output
Print[P_Hirshfeld] = 1
end
% maxcore
4800
%pal nprocs 16
end
*xyz 0 1
C    1.17841193  -2.78496161  -0.62182961 
C    0.03176991  -2.36332426   0.04802554 
C   -0.98222487  -3.29565142   0.29064485 
C   -0.86710924  -4.60822996  -0.15212778 
C    0.27630547  -5.01742280  -0.83955645 
C    1.29878804  -4.10093332  -1.06763480 
C   -0.13459139  -0.94920879   0.58836950 
C   -1.32086383  -0.16816920   0.03201716 
C   -1.88555869  -0.33001083  -1.24818915 
C   -2.97937867   0.42771302  -1.66848000 
C   -3.52390569   1.38059135  -0.80876947 
C   -2.99761330   1.58596246   0.46299041 
C   -1.90394883   0.80473476   0.85795053 
O   -1.32512361   0.94723270   2.08779601 
C   -1.88272967   1.89623197   3.00004930 
O   -4.58763791   2.07633701  -1.31178463 
C   -5.18697200   3.07108697  -0.47577161 
O   -1.30544977  -1.25669489  -2.05461726 
C   -1.85245313  -1.46880649  -3.35645129 
C    1.16030928  -0.15407655   0.64800698 
C    1.64093402   0.64477579  -0.39687557 
C    2.81876559   1.39848389  -0.28753088 
C    3.54340018   1.33095729   0.89872730 
C    3.12239850   0.52526801   1.95740466 
C    1.94669550  -0.20811028   1.81541038 
O    1.48218288  -1.03550801   2.79695900 
C    2.21309432  -1.10381460   4.02479694 
O    4.70211635   2.01998359   1.11918286 
C    5.18397794   2.86384545   0.06843311 
O    0.90037904   0.63258952  -1.53757348 
C    1.30587279   1.45627713  -2.63150683 
H    1.98220938  -2.07631912  -0.80318398 
H   -1.87697131  -2.97899146   0.82404102 
H   -1.66755930  -5.31719295   0.04382495 
H    0.37073361  -6.04331922  -1.18509221 
H    2.19828373  -4.40968580  -1.59437030 
H   -0.39978263  -1.10332972   1.63970321 
H   -3.41828654   0.30762093  -2.65059790 
H   -3.41664210   2.32601948   1.12862347 
H   -1.81957692   2.91627852   2.60133877 
H   -1.27756269   1.82212010   3.90507767 
H   -2.92677575   1.65610043   3.23683457 
H   -4.46792441   3.85914841  -0.21911819 
H   -6.00196219   3.49842123  -1.06188041 
H   -5.59053435   2.62702274   0.44289939 
H   -1.24227186  -2.25558209  -3.80392581 
H   -2.89672715  -1.80157449  -3.30325804 
H   -1.78710868  -0.56141676  -3.97038185 
H    3.15689184   2.00839376  -1.11228801 
H    3.72420103   0.48956722   2.85638645 
H    3.22902662  -1.48314213   3.86049122 
H    2.25973810  -0.12265488   4.51301806 
H    1.66067857  -1.80106462   4.65648578 
H    5.41241572   2.28284771  -0.83379629 
H    4.45734469   3.64958960  -0.17295474 
H    6.09937408   3.31830656   0.45029499 
H    2.29210889   1.16089392  -3.01134634 
H    0.55533195   1.29830219  -3.40836031 
H    1.32140650   2.51649257  -2.34923088 
*
