! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
S    4.0323098020   0.4993120797   0.0001068708
N   -0.5823860072   1.1405185527  -0.0002682033
N   -0.6330163010  -1.0816654056   0.0002294536
N    2.1833813268  -1.2507032732  -0.0005842878
C   -1.8870850068   0.7194516554  -0.0000494929
C   -1.9409495771  -0.6866428590   0.0002635920
C    0.1259428936   0.0440150530  -0.0001703204
C    1.5746431782  -0.0265948505  -0.0003624193
C   -3.0694380782   1.4596829204  -0.0001322801
C   -3.1403971817  -1.3890805693   0.0005927114
C   -4.2662804347   0.7678636428   0.0002542424
C   -4.3006825639  -0.6353946296   0.0006572498
C    2.4163451237   1.0442204067  -0.0000384838
C    3.4668740238  -1.1266859665  -0.0001861867
H   -3.0448412334   2.5420612950  -0.0006093523
H   -3.1699572117  -2.4708995620   0.0009859788
H   -5.1993336008   1.3164692191  -0.0003032967
H   -5.2583622779  -1.1396549132   0.0006565579
H    2.1625949662   2.0930667508   0.0003199056
H    4.1579013824  -1.9583852489  -0.0004246156
H   -0.2771457391  -2.0257349644  -0.0002336603
*