! 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   0.0140800477  -1.1335166465   1.0041513148
Cl  -4.2720195390  -2.1999608600   1.5834881756
Cl   3.0192456684  -4.6726137918  -1.6882901265
S   -0.2462319496   3.0113147170  -0.5351630866
N    2.0144486554   2.6132388432   1.2262736122
N    0.4339349950   0.6225258999  -1.3754759297
N    1.4119964860   2.3125405334   2.3792440705
N    2.0755311920   4.4590425478   2.3675716481
C    2.0672405477   1.6784122962   0.1377542765
C   -1.7514064853   2.4020034205  -1.3491687933
C    0.7723616069   1.5916337803  -0.6396697752
C   -2.3911500772   1.2598385389  -0.6165090072
C   -2.7603704892   1.3842316303   0.7185924052
C   -2.6265050920   0.0522136108  -1.2624799416
C    1.1087738196  -0.5887710817  -1.4049889248
C   -3.3431460100   0.3284241236   1.4004638697
C   -3.2136856154  -1.0138576506  -0.5985326803
C    2.3917595587   3.8934871885   1.2308024772
C    0.9561666545  -1.5319825219  -0.3838447955
C    1.8661694823  -0.9513364610  -2.5172311008
C   -3.5599278702  -0.8665311251   0.7331471441
C    1.5408535981  -2.7858809196  -0.4626857918
C    2.4607677972  -2.1967765766  -2.6112429401
C    2.2916266916  -3.1066463289  -1.5800589600
C    1.4787363287   3.4456708482   3.0243857075
H    2.3528581851   0.7010786947   0.5224473964
H    2.8548947401   1.9948589481  -0.5482396261
H   -1.5259863552   2.1409038476  -2.3817410328
H   -2.4056714882   3.2759294856  -1.3693986334
H   -2.5848682987   2.3126138275   1.2476731177
H   -2.3417362207  -0.0686399257  -2.2993089380
H   -3.6208526273   0.4399066635   2.4396149374
H   -3.3818767139  -1.9490046586  -1.1147028206
H    2.8962493092   4.3564574224   0.3972275371
H    1.9835672310  -0.2430282418  -3.3263104673
H    1.4091785603  -3.4976310111   0.3403076960
H    3.0449162652  -2.4491400725  -3.4849614743
H    1.0856440473   3.5464351447   4.0238139406
*