! 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   -2.1567765686   0.3060197472   1.0843065468
O   -1.0364627407   0.3549644489  -2.5111618086
N   -1.8304809753  -0.3014778935  -0.4622810240
C    1.1498504980  -1.2124615084   0.4467474512
C    0.4962466899  -2.3807378523  -0.2858242268
C    2.6482208537  -1.1272781682   0.1798493670
C   -0.9833444550  -2.6118991080   0.0196953184
C    3.3397722607   0.0520005329   0.8589175441
C   -1.9666514690  -1.7219641867  -0.7288251180
C    2.8945512035   1.4192769488   0.3506933088
C    3.6764550586   2.5628870227   0.9787906213
C   -1.3391641570   0.6205111053  -1.3546146188
C   -1.2550181124   1.9109436557  -0.6847083712
C   -1.6494811304   1.8675569866   0.5970805285
H    0.9805534721  -1.3187296309   1.5237614868
H    0.6792789768  -0.2716718377   0.1593474860
H    1.0396863521  -3.2927636133  -0.0212884161
H    0.6292349051  -2.2580517884  -1.3658900973
H    2.8216870717  -1.0707136733  -0.9008692970
H    3.1213999206  -2.0572337396   0.5118433678
H   -1.1583267951  -2.5481076791   1.0989351345
H   -1.2482962506  -3.6355913979  -0.2581894886
H    4.4207457179  -0.0421742414   0.7112507573
H    3.1789043587  -0.0035522201   1.9417198408
H   -2.9905858758  -2.0259834609  -0.5002446955
H   -1.8370714946  -1.8404184061  -1.8042223220
H    3.0085211926   1.4534933581  -0.7377924999
H    1.8284724420   1.5662452965   0.5461981514
H    4.7442995604   2.4816069959   0.7646620398
H    3.3408626718   3.5311359560   0.6035888060
H    3.5610751247   2.5755851376   2.0647520364
H   -0.9001119343   2.7980072684  -1.1870199069
H   -1.6840673060   2.6814174913   1.3066667684
*