! 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  -3.2937745347   1.1088678151   2.0162510154
S    1.3270686014  -1.9354578177   0.8286643396
O    1.3431493815   1.1825551572   1.0234147526
O    1.3286355148  -3.3593654572   0.5660976024
O    1.1490250449  -1.4697090458   2.1903819590
O    3.1476869779   1.6238170699   2.2699786075
O    0.7932778957  -1.9575356635  -2.0546885168
O   -4.8017496256   1.8148439998  -2.6871706581
N    0.0787335800  -1.2389947567  -0.0268712548
N   -1.0480534744  -0.6627969516  -1.9815071074
N   -2.9165816385   0.5769313182  -2.3352925098
N   -2.1490053484   0.2156504098  -0.1302657482
C    2.8306449635  -1.2540744116   0.1709199864
C    3.3094674881   0.0032805127   0.5537126673
C    3.5933755916  -2.0924988965  -0.6287503128
C    4.5704840911   0.3888884330   0.1152425553
C    4.8379466275  -1.6769077144  -1.0755573396
C    5.3262983301  -0.4374653943  -0.7021721456
C    2.5902470479   1.0048229479   1.3974460971
C   -0.0052925975  -1.3336945997  -1.3871306338
C    0.5420125814   2.1503066120   1.7339831258
C   -2.0760152624   0.0729146153  -1.4427328171
C    0.0906109048   1.6658896830   3.0914141056
C   -3.9267041617   1.2797183195  -1.8650133356
C   -4.1237071059   1.4930186489  -0.4923781071
C   -3.1777784800   0.9245567619   0.3130649637
C   -4.6330399232   1.6380427470  -4.0947079066
H    3.2346282134  -3.0734770239  -0.9008526812
H    4.9620347744   1.3546369436   0.4034721497
H   -0.5996626898  -0.6534117890   0.4716063320
H    5.4246350168  -2.3328973549  -1.7029664833
H    6.3001656949  -0.1101621604  -1.0384250126
H   -1.0628617684  -0.7426294535  -2.9899941941
H   -0.3108320739   2.3166959781   1.0792524981
H    1.0905789804   3.0898366555   1.8087668142
H   -0.4515936379   0.7243467539   3.0272124504
H    0.9196034782   1.5443950390   3.7861793255
H   -0.5864632903   2.4097068974   3.5115051965
H   -4.9568231297   2.0648213159  -0.1139832628
H   -3.6997981047   2.0795096345  -4.4416841464
H   -5.4690690377   2.1562461403  -4.5545829680
H   -4.6637925410   0.5853535013  -4.3718151084
*