! 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
S   -3.2378734814  -0.5486929159   0.3788003505
O   -0.8198451897   1.9699174868  -1.0355389850
N   -1.8096742798   0.3556290004   0.2596889176
C    1.4709280970  -0.8960430800  -0.7473359910
C    0.3476378357  -1.7380244383  -0.1460085470
C    2.7125572312  -0.7783614128   0.1288109287
C   -0.1807518113  -1.2675982383   1.2049298108
C    3.8412756652  -0.0182005317  -0.5585279182
C   -0.7398836071   0.1489219804   1.2198273109
C    5.1254224271   0.0814716278   0.2600571432
C    4.9792755470   0.8686120819   1.5548004718
C   -1.7683616623   1.2320260374  -0.7966777043
C   -3.0146778664   1.1190787903  -1.5406732536
C   -3.8623979046   0.2199006740  -1.0194178849
H    1.1038036489   0.1054566983  -0.9915049674
H    1.7525264988  -1.3455744719  -1.7050843133
H    0.6976828484  -2.7682191911  -0.0295964806
H   -0.4790248105  -1.7881062112  -0.8613606191
H    3.0631530130  -1.7801100917   0.4040872921
H    2.4558180317  -0.2786881341   1.0675838902
H    0.6063907131  -1.3068703090   1.9619293042
H   -0.9457089367  -1.9690760854   1.5524657010
H    3.4955584241   0.9905865762  -0.8114915053
H    4.0681950899  -0.5060554140  -1.5121804050
H    0.0322809282   0.8782712292   0.9772084461
H   -1.1023900991   0.3968468709   2.2200045880
H    5.4920388044  -0.9255224063   0.4843564195
H    5.8979883068   0.5518807453  -0.3548498703
H    4.6045612433   1.8770545126   1.3649980608
H    4.2921881630   0.3898769990   2.2542951290
H    5.9385049827   0.9678106708   2.0656770039
H   -3.2134589896   1.7132068404  -2.4195983412
H   -4.8453859064  -0.0491115347  -1.3775670697
*