! 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  -0.0561099134   1.1403272143   0.9510699781
Cl   4.1513131244   2.3449946369   1.6159401210
Cl  -3.1012871050   4.5508358535  -1.8641202414
S    0.3466585600  -3.0209753982  -0.5068303085
N   -1.9235226409  -2.5910396530   1.2583930730
N   -0.3829244193  -0.6678953883  -1.4038556361
N   -1.3453498737  -2.1719431781   2.3855087617
N   -1.9054828364  -4.3409845823   2.5429289618
C   -2.0133617686  -1.7480874619   0.1000344875
C    1.8540752990  -2.3828571503  -1.2971859431
C   -0.7077629088  -1.6329381504  -0.6563348838
C    2.4418059550  -1.2102803096  -0.5692444134
C    2.6665736890  -0.0106702621  -1.2337990153
C    2.7698743020  -1.2975419670   0.7795867890
C   -1.0916697248   0.5232302983  -1.4684602207
C    3.2026130369   1.0844714831  -0.5741913537
C    3.3013290892  -0.2125668174   1.4569675191
C   -2.2394857388  -3.8848265288   1.3635546019
C   -0.9831652965   1.4892468484  -0.4629267984
C   -1.8391942812   0.8439499510  -2.6000353850
C    3.5072694276   0.9740040142   0.7711638061
C   -1.5972457901   2.7260027580  -0.5756810437
C   -2.4644142568   2.0715342381  -2.7278163329
C   -2.3362325833   3.0053537793  -1.7123484163
C   -1.3643996566  -3.2500240066   3.1214575601
H   -2.3741227800  -0.7658389131   0.3988924653
H   -2.7592465309  -2.1719775859  -0.5744269729
H    1.6445485389  -2.1444172737  -2.3383397044
H    2.5325176996  -3.2381147157  -1.2870198224
H    2.4134619196   0.0792337048  -2.2820456421
H    2.6001761986  -2.2200932686   1.3206568818
H    3.3634032639   2.0138766348  -1.1030836220
H    3.5468881915  -0.2930221111   2.5070286746
H   -2.7141043226  -4.4378841392   0.5682286114
H   -1.9231027844   0.1169194569  -3.3965428226
H   -1.4974078493   3.4565574914   0.2148506859
H   -3.0397667314   2.2948750888  -3.6152917257
H   -0.9754427994  -3.2533879320   4.1274094045
*