! 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   1.6108523149   0.2649973362   3.1175283593
Cl  -4.6840830560  -2.3563178188  -2.9073700875
Cl   3.7912212783  -3.5797880271   0.0633949150
S   -1.5988500708   2.9006750968   0.3989676707
N    2.2132389897   2.1493708245  -0.3123944695
N   -0.1514686438   0.7466458719   0.7910709229
N    2.9350474665   1.3851101394  -1.1369342061
N    4.0835231326   1.8240633210   0.7396590656
C    0.8678382680   2.5498482352  -0.6218245140
C   -2.8214487447   1.7377445239   1.0764293493
C   -0.1860398273   1.8777632522   0.2363389081
C   -3.2713374656   0.7138939783   0.0800615991
C   -2.9154121636  -0.6235041395   0.2164730705
C   -4.0700641529   1.0860659984  -0.9987205114
C    0.8294185513  -0.2123021243   0.5853704801
C   -3.3446277291  -1.5743967208  -0.6987100851
C   -4.5077156315   0.1505182272  -1.9212647536
C    2.9081817070   2.3961948724   0.8014984935
C    1.6865486904  -0.5881392562   1.6188425939
C    0.8996423276  -0.9238498391  -0.6109456021
C   -4.1377681712  -1.1769130132  -1.7615187962
C    2.6073220836  -1.6101724789   1.4658489364
C    1.8006462631  -1.9592945317  -0.7792380406
C    2.6526152450  -2.2910386219   0.2611664859
C    4.0394067366   1.2124150845  -0.4615047593
H    0.6762833627   2.3293480893  -1.6715071765
H    0.7869629458   3.6326236727  -0.5114555612
H   -3.6500561926   2.3780276869   1.3823785825
H   -2.4100162762   1.2811820156   1.9745089893
H   -2.2996632191  -0.9356336954   1.0486197688
H   -4.3617021385   2.1216893495  -1.1243553949
H   -3.0611593857  -2.6109513818  -0.5779736560
H   -5.1321708497   0.4534442621  -2.7505120570
H    2.5318155461   3.0067013740   1.6069754054
H    0.2298316095  -0.6613891797  -1.4193169860
H    3.2717270696  -1.8707105365   2.2778719867
H    1.8375771349  -2.4952259004  -1.7173714792
H    4.8569686652   0.6307324281  -0.8564735478
*