! 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  -0.1907234785  -0.5707176701  -1.4722666501
Cl  -3.9806364569  -2.9423267045  -1.4866320284
Cl   3.3411304770  -3.6021911665   1.1922412609
S   -1.4071884941   3.3032748975   0.1308492742
N    2.3109396269   2.1221144550  -0.5485778945
N   -0.0457768025   1.2192830498   0.9409430621
N    2.9573608827   2.5595828417   0.5338373504
N    4.1975982723   1.0589672467  -0.5726058548
C    0.9981241075   2.6030762078  -0.8649731897
C   -2.6596247045   2.3474905300   1.0409468711
C   -0.0445152218   2.2028935975   0.1564279080
C   -2.9935910102   1.0311352189   0.4055333372
C   -2.7717787822  -0.1569104091   1.0923172369
C   -3.5342547345   0.9703628809  -0.8748635950
C    0.8264893169   0.1457016906   0.9346876674
C   -3.0783116635  -1.3825923731   0.5223544045
C   -3.8436706335  -0.2457088082  -1.4620009494
C    3.0607047953   1.2256845454  -1.1982165814
C    0.8084091484  -0.8140758138  -0.0823521475
C    1.6470195781  -0.0963230385   2.0364541124
C   -3.6085211713  -1.4150741220  -0.7557053422
C    1.5743319557  -1.9655882052  -0.0113246068
C    2.4303527481  -1.2322586856   2.1170975807
C    2.3842204991  -2.1642884937   1.0925679974
C    4.0819664647   1.8938639859   0.4808486655
H    0.7061087006   2.2177352077  -1.8427551141
H    1.0304641133   3.6910363678  -0.9513746256
H   -3.5264312763   3.0116332032   1.0533192362
H   -2.3315345393   2.2244006615   2.0719603737
H   -2.3471204399  -0.1315095257   2.0873931702
H   -3.7133967119   1.8818392745  -1.4326004958
H   -2.8927095837  -2.2979434164   1.0679787096
H   -4.2624506397  -0.2792071979  -2.4588373182
H    2.7417626991   0.7391622812  -2.1070879373
H    1.6639983799   0.6253866661   2.8421147385
H    1.5386235711  -2.6916821061  -0.8117431387
H    3.0634057925  -1.3911430653   2.9793178861
H    4.8536241742   2.0164372122   1.2246949720
*