! 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
Cl  -5.9244912216  -0.9275526223  -1.7947430154
S    1.5879122075  -0.4705453164   1.7858547644
O    3.1010308430   2.1920986457  -0.8821617185
O    1.7728320055  -1.3429965596   2.9238164050
O    1.6688268402   0.9672887036   1.9582925202
O    1.0894439205   1.2031236360  -0.9579238025
O    0.2840965787  -2.9654895509   0.8879415719
O   -2.8345615745   2.4570185926   0.2012546115
N    0.0719136641  -0.7202362405   1.1469409838
N   -1.6089530843  -1.9849399775   0.1558854180
N   -2.1950483383   0.2669354838   0.1881393281
N   -3.6120143188  -1.3805307268  -0.7284800694
C    2.7263712773  -0.9610686347   0.5164882853
C    3.0267989757  -0.1047820333  -0.5445187913
C    3.3838197412  -2.1714725245   0.6691150981
C    4.0050948693  -0.4886540002  -1.4511823829
C    4.3409305406  -2.5497151640  -0.2603437217
C    4.6509110555  -1.7096335982  -1.3160255713
C    2.2821845769   1.1661262059  -0.7975121592
C   -0.3655941302  -1.9533628765   0.7487378824
C    2.5474827778   3.5026535710  -1.1166007161
C   -2.5006788340  -0.9816753808  -0.1341010113
C    2.1465805094   4.1658583565   0.1790074033
C   -3.0807036486   1.2041255496  -0.1037494863
C   -4.2923150745   0.9055758869  -0.7331366086
C   -4.4753204838  -0.4263081224  -1.0133557991
C   -1.5837006833   2.7901954213   0.8052003691
H    3.1648915434  -2.8184074756   1.5057869685
H    4.2565028896   0.1591685085  -2.2802631682
H   -0.4927833167   0.1004234638   0.9010882375
H    4.8475366809  -3.4982071733  -0.1477679783
H    5.4022813299  -1.9983490034  -2.0384273210
H   -1.9049085010  -2.9108091436  -0.1260806039
H    1.7128029109   3.4407841518  -1.8147768751
H    3.3501140523   4.0557544926  -1.6007891371
H    1.7859207000   5.1726160256  -0.0354889640
H    1.3486393133   3.6295913562   0.6915956461
H    2.9929819558   4.2524305749   0.8598684305
H   -5.0161163953   1.6684434384  -0.9755771766
H   -1.6179524526   3.8630495391   0.9730476647
H   -0.7553773050   2.5536443566   0.1385485468
H   -1.4517639297   2.2855834772   1.7627126921
*