! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -0.5146668552   0.0046864495   1.9343658116
Cl   3.8347526477   3.5208961296   0.5978117392
Cl   0.0031010383   4.1730974322  -1.4043168513
S    0.8052186480  -2.8105107291  -0.4345975564
N   -2.7603995450  -3.4299662579   0.9933867885
N   -1.5906410392  -1.4181589360  -0.4409207594
N   -2.5916110950  -3.3003316834   2.3107124936
N   -4.6800521742  -2.7448447834   1.7249925892
C   -1.6481759962  -3.7239775279   0.1396475400
C    1.5206829169  -1.5885763942  -1.5688517268
C   -0.9112971746  -2.4596677225  -0.2663685811
C    2.0797265747  -0.3261753801  -0.9734741320
C    2.2524900268   0.7719084055  -1.8111971059
C    2.4908627365  -0.2246078868   0.3491669486
C   -1.1452796697  -0.1316385433  -0.6872592938
C    2.8046490574   1.9524735881  -1.3429525775
C    3.0332479607   0.9537093146   0.8380617938
C   -4.0026827857  -3.0796991341   0.6550611063
C   -0.6621423515   0.6697388339   0.3494201208
C   -1.3042130502   0.4503384719  -1.9432875444
C    3.1800096936   2.0364197147  -0.0126694868
C   -0.3174272595   1.9944278391   0.1404157799
C   -0.9543828877   1.7681002171  -2.1727853365
C   -0.4605290497   2.5301184146  -1.1260687305
C   -3.7687635275  -2.8960197247   2.7074713780
H   -2.0027967897  -4.2213376147  -0.7643066508
H   -0.9933731313  -4.4263133084   0.6550204708
H    0.8034468799  -1.3742720377  -2.3598397548
H    2.3266211024  -2.1535556399  -2.0456284839
H    1.9489521704   0.7132323189  -2.8492008973
H    2.3715844208  -1.0601863142   1.0263426839
H    2.9221862361   2.7983023320  -2.0059970131
H    3.3314728063   1.0221866758   1.8754705768
H   -4.3616089652  -3.0959643279  -0.3618158987
H   -1.7070124179  -0.1464837757  -2.7513243887
H    0.0630961570   2.5924475901   0.9564544796
H   -1.0692683831   2.1918697914  -3.1609343741
H   -3.9843819449  -2.7066329074   3.7476149726
*