! 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  -0.6702713489   0.5946887476  -2.0441141968
Cl   3.3836636683   2.2396885850  -2.7299694434
Cl  -0.3935035724   4.5318732102   1.5868508140
S    0.7440622141  -2.4880837441   1.8157359770
N   -2.4306949834  -3.4787525042  -0.2728080063
N   -1.1433401755  -1.1547229714   0.2511327559
N   -3.4559240078  -3.7175799577   0.5508525345
N   -4.1919144085  -2.9578080539  -1.4298890351
C   -1.0744328380  -3.5348725133   0.1842531372
C    1.7067092378  -0.9730952309   2.0613636959
C   -0.5917548663  -2.1919269556   0.7060097269
C    2.1228318760  -0.2131826780   0.8360176515
C    2.3039221999  -0.8114505757  -0.4049455715
C    2.3677097710   1.1508462524   0.9641134174
C   -0.9197443213   0.1589541477   0.6074218073
C    2.7013526765  -0.0646661524  -1.5027203596
C    2.7652891216   1.9106768681  -0.1229069820
C   -2.8836072299  -3.0068311221  -1.4331651699
C   -0.7250732991   1.1084090495  -0.4000624608
C   -1.0130146750   0.6118676882   1.9218452053
C    2.9203078354   1.2938615035  -1.3535725813
C   -0.5574536335   2.4489860421  -0.1093489234
C   -0.8638941518   1.9529514912   2.2314888783
C   -0.6212572814   2.8582213163   1.2122658510
C   -4.4821989726  -3.4017585452  -0.1921310905
H   -0.4290766630  -3.8327093668  -0.6433437988
H   -0.9973349131  -4.3132713819   0.9423699451
H    2.5886671676  -1.3552840591   2.5832004521
H    1.1934756564  -0.3198834419   2.7648081924
H    2.1281330433  -1.8716525091  -0.5352635746
H    2.2340152736   1.6372850436   1.9221618761
H    2.8237112553  -0.5420317594  -2.4649778774
H    2.9378816984   2.9721777997  -0.0106947808
H   -2.2327546161  -2.7283421580  -2.2463270287
H   -1.2230010489  -0.0956575228   2.7141042194
H   -0.3755702638   3.1599526551  -0.9028033420
H   -0.9347444468   2.2799298580   3.2594027890
H   -5.4921389214  -3.5016646772   0.1729754444
*