! 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  -2.1759488339   2.9242810690  -1.6053159841
S    1.9239317700  -0.9166479655  -1.3896967148
O    1.4783139131   1.2792023800   0.8363718921
O    2.2235612920   0.4286208412  -1.8456629262
O    2.0939809994  -2.0292225976  -2.3000399888
O    3.5599844894   2.1246170650   0.8226037356
O    0.2306620928  -2.9547220052  -0.1003087012
O   -5.6911059954   0.2441741673   0.7152745472
N    0.3298694998  -0.8417234522  -0.9174792002
N   -1.6205846114  -1.6763902304   0.0332930605
N   -3.6498203679  -0.7178226530   0.3773410069
N   -1.9514172061   0.4983657485  -0.7249857764
C    2.8676127047  -1.2502595999   0.0747975423
C    3.2469319050  -0.2219099483   0.9409797391
C    3.3358469816  -2.5434034845   0.2527480876
C    4.1117340884  -0.5189009147   1.9851716446
C    4.1727773997  -2.8269639618   1.3208531183
C    4.5612606824  -1.8161723332   2.1834398488
C    2.7907712364   1.1965921298   0.8336357247
C   -0.3097096618  -1.8921403105  -0.3234236202
C    0.8267795497   2.5577668541   0.6919244571
C   -2.4286951998  -0.5754339264  -0.1181208597
C   -0.2945522318   2.6470585184   1.6949269850
C   -4.4628894590   0.3112805671   0.2533005059
C   -4.0737134715   1.5113138608  -0.3625852995
C   -2.7892011337   1.5211685827  -0.8271701532
C   -6.1299239447  -0.9580176590   1.3512515939
H    3.0654435649  -3.3306316562  -0.4348227767
H    4.4239584943   0.2657184048   2.6609940609
H   -0.1830835311   0.0376407572  -1.0475746216
H    4.5290568841  -3.8372997953   1.4640286164
H    5.2226987377  -2.0314265480   3.0109959254
H   -2.0559657555  -2.4666291316   0.4913604080
H    0.4576304474   2.6101633972  -0.3330624627
H    1.5384088777   3.3692735037   0.8327331127
H   -0.8431335698   3.5747691986   1.5343010772
H   -0.9994017180   1.8208251401   1.6027765772
H    0.0873994403   2.6602343024   2.7154904747
H   -4.7444742817   2.3513375266  -0.4568609354
H   -5.5448082341  -1.1723706733   2.2445000286
H   -6.0830882687  -1.8079409100   0.6719924795
H   -7.1631747614  -0.7778709815   1.6320906209
*