! 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   -1.5547341972   0.3333439796   1.2051807165
O   -1.8066909943   0.3223476172  -2.5480088325
N   -1.8255340637  -0.2886253736  -0.3456571624
C    1.3000529664  -1.2767993640  -0.1288920088
C    0.3294239455  -2.4341458841   0.0941703826
C    2.2735631359  -1.0914400884   1.0275093315
C   -0.8102703834  -2.5073147133  -0.9242252133
C    3.2693566993   0.0479317707   0.8281174847
C   -2.0553341657  -1.7089612023  -0.5566692106
C    2.6347965557   1.4334692436   0.7604713692
C    3.6647027888   2.5452186333   0.6291017443
C   -1.6623107764   0.6137573408  -1.3663982560
C   -1.3089996429   1.9035537421  -0.7927440145
C   -1.2138298300   1.8762777113   0.5464060226
H    0.7514645070  -0.3477575127  -0.2923266224
H    1.8590026165  -1.4555875696  -1.0542160003
H   -0.0857559271  -2.3834174446   1.1076299664
H    0.8962444076  -3.3689606006   0.0623389643
H    2.8244103650  -2.0243878211   1.1874010811
H    1.7057292178  -0.9151142639   1.9481959795
H   -1.1440341543  -3.5424689612  -1.0331928636
H   -0.4544543252  -2.2012427753  -1.9116022329
H    3.8497671802  -0.1301483466  -0.0842951647
H    3.9923655046   0.0329779347   1.6504287027
H   -2.5030119697  -2.1132552576   0.3529307723
H   -2.8086801688  -1.8056548836  -1.3391804839
H    1.9401118485   1.4908052951  -0.0816705773
H    2.0302283829   1.5970088146   1.6589000391
H    4.2599532597   2.4296953929  -0.2792205621
H    3.1913911446   3.5275829947   0.5852219367
H    4.3561825916   2.5524324273   1.4743470946
H   -1.1389178077   2.7783818426  -1.4018585982
H   -0.9694354869   2.6940519793   1.2087262436
*