! 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   0.2749338713  -1.9168419202   0.1849347821
Cl  -5.8559240690  -1.3227011013   2.3432288194
Cl   5.4459354087  -2.4193607946  -1.1505422126
S   -1.2358806343   2.6775737572  -0.9708006185
N    1.8786850568   1.7325536566   0.9610895624
N    0.3846538533   0.6176160980  -1.3321451492
N    1.0973788896   1.0802632511   1.8251017419
N    3.2550715871   0.5702469567   2.1692042419
C    1.3074141225   2.5575479508  -0.0701111135
C   -2.3805480692   1.4734239364  -1.6921881724
C    0.2583270308   1.7792824416  -0.8463706485
C   -3.2302116767   0.7835493919  -0.6628019689
C   -4.5925969914   0.6276332689  -0.8947969807
C   -2.6924396165   0.2718945723   0.5156839296
C    1.5922825492  -0.0706680344  -1.2788876019
C   -5.4085599280  -0.0233814050   0.0197211066
C   -3.4932363587  -0.3780240578   1.4404368950
C    3.1568154795   1.4095157836   1.1688514329
C    1.6705273411  -1.2955235275  -0.6146502895
C    2.7309436013   0.3830746317  -1.9427908737
C   -4.8486231516  -0.5198893767   1.1840649585
C    2.8484864040  -2.0211050176  -0.5678650879
C    3.9172908922  -0.3280076088  -1.9108036442
C    3.9678652426  -1.5227003000  -1.2124876234
C    1.9657820529   0.3958448884   2.5215696451
H    2.1063842765   2.8963991751  -0.7281202445
H    0.8702415484   3.4509221983   0.3766361492
H   -1.7863711594   0.7591381054  -2.2640004279
H   -3.0012256378   2.0215259928  -2.4002022413
H   -5.0347946097   1.0224666346  -1.8009463498
H   -1.6382469625   0.3835412346   0.7347146436
H   -6.4666685305  -0.1299890918  -0.1759425696
H   -3.0625580167  -0.7646289298   2.3538786874
H    3.9680240715   1.8194670495   0.5889198276
H    2.6859306760   1.3099561783  -2.4997197646
H    2.8883921408  -2.9593540061  -0.0324369649
H    4.7886436227   0.0526775856  -2.4250581910
H    1.6587186363  -0.2530927017   3.3262129281
*