! 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
Cl  -2.0904136352  -1.9118961779   0.4332573454
S   -0.4058826108   0.7923308674   1.7382912556
O   -0.7726014396  -0.0505259575   2.8559326191
O    0.0495868791   2.1407347509   1.9564032749
O    0.8402070312   1.2312428972  -0.8881034747
O    4.1409143226  -4.6260470059  -1.8408353319
O    2.0558485205  -4.0486932354   2.2659657234
N   -2.2322917516   1.8833093135  -0.0728070350
N   -1.9254055593   3.1565473580   0.1185937662
N   -3.2387186646   0.0711594906  -0.8952259989
N    0.7501290618  -0.0997840111   0.9453843486
N    1.9747433555  -0.7246117628  -0.9235515828
N    3.0618050298  -2.6688467901  -1.3817346865
N    2.0038200799  -2.3829543223   0.7053005595
C   -1.7114345947   0.8020595581   0.5910389071
C   -2.5582265854   4.0182305991  -0.6264463989
C   -2.1896628820   5.4567566697  -0.4514315193
C   -3.1545936010   1.3948691737  -0.9601356074
C   -1.1638671965   5.9082840696  -1.4940386196
C   -3.5294244519   3.6357456012  -1.5931481539
C   -3.8372008502   2.3237063875  -1.7608632841
C   -2.3663156426  -0.2815922462   0.0375351679
C   -0.8123251427   7.3792413656  -1.3451411724
C    1.1699790315   0.2129191660  -0.3203229928
C    2.3594757200  -1.9799805835  -0.5027208684
C    3.4409768699  -3.8819524975  -1.0053844383
C    2.3906638908  -3.6012714742   1.0706767342
C    3.1340151422  -4.4211192259   0.2390960226
C    4.4466393385  -4.1095299868  -3.1332414361
C    1.2738597834  -3.2193898895   3.1213539897
H   -3.0904823703   6.0703455878  -0.5327632909
H   -1.7843750062   5.6050809844   0.5510088337
H   -1.5521166954   5.7229837497  -2.4995848580
H   -0.2625166061   5.2981363246  -1.3938188057
H   -4.0222142995   4.3992278070  -2.1788552350
H   -4.5723160216   1.9782771786  -2.4736979193
H   -0.0656805868   7.6812196717  -2.0806193486
H   -1.6884979236   8.0150803987  -1.4856524221
H   -0.4039778134   7.5932478157  -0.3556399863
H    2.2749107850  -0.4772604445  -1.8574805068
H    3.4480053677  -5.4115681351   0.5345951505
H    5.0086263142  -4.8925173048  -3.6357382116
H    5.0591520032  -3.2097511230  -3.0749458187
H    3.5440874416  -3.8931932727  -3.7051235195
H    1.1264563454  -3.7931664326   4.0324271416
H    0.2980637329  -2.9972759890   2.6871745442
H    1.7913002355  -2.2921728359   3.3705122076
H    1.0281205842  -1.0140694473   1.3310402297
*