! 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  -2.0968793913  -0.3240208159  -2.8784434070
Cl   3.5171944741   2.5733623124   2.3706192779
Cl   0.6928925232   4.2490551933  -2.5801866490
S   -0.4597824557  -2.4721717949  -0.5991327019
N   -1.9800712836  -3.1934802619   1.8834676895
N   -1.9613923252  -0.2444846602   0.1638310600
N   -1.2298727812  -2.6435378807   2.8408994857
N   -1.1183065307  -4.8834573034   2.9376886849
C   -2.6642112709  -2.3773913461   0.9144164303
C    0.8689173734  -1.4303434807  -1.2452444151
C   -1.7089398171  -1.4845608225   0.1481546265
C    1.5155945678  -0.4626312153  -0.2960293950
C    1.4527440691  -0.5870154483   1.0862678156
C    2.2282239835   0.6015251741  -0.8407904435
C   -1.3161287369   0.7678814378  -0.5252469402
C    2.0710728094   0.3403621364   1.9116741199
C    2.8549110209   1.5330158807  -0.0307891726
C   -1.8960252954  -4.5214513776   1.9468087269
C   -1.3113875887   0.8782300518  -1.9155122340
C   -0.7567636758   1.8146182751   0.2105628042
C    2.7630537687   1.3969019335   1.3445863335
C   -0.7042672928   1.9489482274  -2.5563503815
C   -0.1421728237   2.8834605036  -0.4064209803
C   -0.1081849525   2.9341776319  -1.7920331825
C   -0.7388062523  -3.6950040536   3.4436014185
H   -3.4008982274  -1.7495031665   1.4094638954
H   -3.1928715972  -3.0407557782   0.2291141696
H    0.5462993959  -0.9290440895  -2.1556089992
H    1.5989805215  -2.1815256763  -1.5612044362
H    0.9053535167  -1.4025517647   1.5419519697
H    2.2864645358   0.7203787974  -1.9155439531
H    2.0045580515   0.2368690116   2.9859757074
H    3.3940201065   2.3608516566  -0.4702799024
H   -2.4199263592  -5.1748590463   1.2669657099
H   -0.7891800625   1.7670638200   1.2901335970
H   -0.6998372216   2.0029949537  -3.6361098758
H    0.3111216368   3.6635781978   0.1881681279
H   -0.0765598615  -3.5997717061   4.2896750987
*