! 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   -2.6918816370  -0.3618819734  -1.6200429283
O   -2.3318117869   1.2632841614   1.7532743163
N   -2.3139905061  -0.2320284303   0.0245368185
C    2.0202597968  -1.5051937650  -0.2742823617
C    0.5023617934  -1.4398863464  -0.4213453839
C    2.6569550950  -0.2195343628   0.2420121790
C   -0.2398843303  -1.3009579650   0.9020567029
C    4.1786367504  -0.2841778579   0.2771363229
C   -1.7549810895  -1.3490552348   0.7699524611
C    4.8269367996   1.0052067555   0.7653563958
C    6.3458501036   0.9315827001   0.7945362503
C   -2.5582968892   0.9990112485   0.5778037702
C   -3.1080779470   1.8691747153  -0.4509285024
C   -3.2263234681   1.2653490107  -1.6442240122
H    2.4536242777  -1.7442124636  -1.2507572171
H    2.2879106604  -2.3377613752   0.3857324358
H    0.1573440719  -2.3484363268  -0.9261448344
H    0.2486830936  -0.6072417915  -1.0853242463
H    2.2868155270   0.0090537043   1.2464606424
H    2.3436270784   0.6165283427  -0.3936982382
H    0.0412731479  -0.3784137251   1.4150844277
H    0.0477769632  -2.1212245216   1.5675335029
H    4.5553365700  -0.5204442807  -0.7245505432
H    4.4926359082  -1.1136576703   0.9207733509
H   -2.2204997050  -1.3442997041   1.7561530479
H   -2.0694274409  -2.2748055609   0.2840650196
H    4.5146338851   1.8336298921   0.1216426360
H    4.4536327648   1.2433275413   1.7664102333
H    6.6934503890   0.1392669336   1.4608699461
H    6.7533985530   0.7263805227  -0.1976552209
H    6.7869300480   1.8673988573   1.1417516416
H   -3.3865306579   2.8927240411  -0.2510150145
H   -3.6015766300   1.6866700550  -2.5660118868
*