! 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    1.2667988676  -0.9784231711  -0.0009234779
O    1.6274825157  -2.2968041687   0.4789180717
O    1.7844119801   0.1951493112   0.6834581888
O    2.0927347664   1.9325851653  -1.7918726703
O    3.8562113883   2.5161632544  -0.5652998507
O   -0.9795709525  -2.6296608155  -1.0846116604
O   -6.2866624190   0.1353673007   2.1107754089
O   -2.1709226721   2.1726939908   2.7837569851
N   -0.3844172710  -0.7640128555   0.0679312715
N   -2.5896662595  -1.4754649628  -0.0020450674
N   -4.4360246888  -0.6671161349   1.0461089477
N   -2.3499386020   0.3785784762   1.3818020327
C    1.6647734665  -0.8832593120  -1.7507397634
C    3.1543263201  -0.7688477322  -1.8919782397
C    3.8813012035   0.4086563631  -1.6553023181
C    3.8510315614  -1.9339343589  -2.1976256215
C    5.2708922523   0.3839581752  -1.7446865425
C    5.2322058480  -1.9430407288  -2.3046654152
C    5.9458392654  -0.7775738039  -2.0787177688
C    3.2839852158   1.7175938337  -1.2643772201
C   -1.2852363955  -1.6917475230  -0.3804181105
C   -3.1379791890  -0.5393901804   0.8481347056
C   -4.9912249740   0.2090446124   1.8705940930
C   -2.9176315362   1.2459167240   2.2141630136
C   -4.2700891069   1.2127511580   2.5073950897
C    1.3985158578   3.1144264267  -1.3973233281
C   -7.0482310757  -0.8834855620   1.4684793575
C   -0.7720754769   2.1978247764   2.5153563452
H    1.1075838842  -0.0525272364  -2.1732439183
H    1.3004495201  -1.8068721591  -2.1978599407
H    3.2989990287  -2.8505689825  -2.3607125588
H   -0.7423848481  -0.0160105456   0.6794271516
H    5.8335596742   1.2883762048  -1.5570316862
H    5.7463961448  -2.8610736200  -2.5554863302
H    7.0246327284  -0.7705471608  -2.1556042498
H   -3.2481811108  -2.1478637277  -0.3730208129
H   -4.7312609114   1.9160225848   3.1849075025
H    1.9073842335   4.0115371322  -1.7489579706
H    0.4187387548   3.0527322735  -1.8625355723
H    1.2816514238   3.1677157370  -0.3149652381
H   -7.0123956810  -0.7903688098   0.3834256555
H   -6.7119525353  -1.8797250522   1.7548501263
H   -8.0712636576  -0.7411382183   1.8057486620
H   -0.2810413564   1.2808549244   2.8418066662
H   -0.5672335247   2.3745367219   1.4588883910
H   -0.3776007873   3.0314970782   3.0899360965
*