! 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 "WATER"
end
*xyz 0 1
Cl   0.0166084455  -1.1061229639   0.9423540754
Cl  -4.1830603903  -2.1038463996   1.8700336797
Cl   2.9815928536  -4.6696608867  -1.7649206568
S   -0.2643536685   3.0241209074  -0.6435326170
N    1.9946836564   2.5345937356   1.1331806977
N    0.3736326099   0.6172650827  -1.4737866127
N    2.3775914874   3.8139811762   1.0904245509
N    1.4445596830   3.3335263702   3.0750932021
C    2.0571336670   1.6820120629  -0.0214121899
C   -1.8192618727   2.3951685290  -1.3399387530
C    0.7431122997   1.5978151371  -0.7675424538
C   -2.4145739785   1.2785545521  -0.5335172368
C   -2.7367248387   0.0704133438  -1.1398021690
C   -2.6607246580   1.4280568255   0.8274996032
C    1.0535794465  -0.5928465558  -1.5020092571
C   -3.2918451322  -0.9714686917  -0.4126032822
C   -3.2077854447   0.3957492382   1.5721041519
C    1.4282115651   2.2709738446   2.3118179364
C    0.9308894123  -1.5205588127  -0.4634445190
C    1.7941650125  -0.9651358987  -2.6220013492
C   -3.5151947010  -0.7999767351   0.9422993680
C    1.5195669834  -2.7727697820  -0.5348266473
C    2.3942989804  -2.2083760680  -2.7089823345
C    2.2492135801  -3.1054595393  -1.6629028571
C    2.0336910867   4.2430544454   2.2756908340
H    2.3862805915   0.6901295488   0.2846712227
H    2.8186959452   2.0740743381  -0.6959564364
H   -1.6612203464   2.0999025578  -2.3755429322
H   -2.4720116484   3.2704852447  -1.3467366882
H   -2.5482201275  -0.0686665779  -2.1962037929
H   -2.4141297156   2.3573246218   1.3259459018
H   -3.5301594824  -1.9075602973  -0.8987479754
H   -3.3884785603   0.5250011872   2.6305086733
H    1.0331926285   1.3009838450   2.5704494450
H    1.8936550684  -0.2663626356  -3.4416545938
H    1.4088808178  -3.4728349986   0.2815380821
H    2.9654640926  -2.4703145008  -3.5886453476
H    2.2241272677   5.2591948899   2.5822929633
*