! 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   0.6737034685   0.3321786068   2.5327337414
S    1.4777810547   1.6943089360  -0.4881650418
O    1.1301228131   2.7530106478   0.4348355607
O    2.1897917177   2.0070473330  -1.7076187777
O    0.9106235905  -0.7258385195  -2.0213030717
O   -3.6885554264   2.0375798161   1.2101575128
O   -5.5367329772  -1.9517455523  -0.2781369712
N    3.4465801584  -0.2539266781  -0.0628956344
N    2.8379011217  -1.0701592644   1.9374470961
N    0.0138684570   0.9907661096  -0.8427191153
N   -1.2804146118  -0.8308162394  -1.4760754106
N   -2.4743755734   0.6363564325  -0.1268584241
N   -3.4065546169  -1.3916647150  -0.8916051182
C    2.3349057311   0.4523312030   0.3564810992
C    3.7166483868  -1.1629175697   0.9381547537
C    2.0111327241  -0.1043485801   1.5780559465
C    4.1958094566  -0.1900564322  -1.1998486044
C    4.8073512178  -2.0310855812   0.8044879562
C    5.2521612228  -1.0323275611  -1.3369797073
C    5.5688388884  -1.9632822334  -0.3264360321
C   -0.0531060207  -0.2178470070  -1.4846473799
C   -2.4365775372  -0.5027600540  -0.7964266792
C   -3.6023240260   0.9128875281   0.5208170602
C   -4.5243768730  -1.1025055663  -0.2391495168
C   -4.6925945560   0.0619469916   0.5010493357
C   -2.5634976805   2.9128777334   1.2481009835
C   -5.3892517352  -3.1756813643  -0.9952568322
H    3.9212219412   0.5362013413  -1.9440994535
H    5.0118171877  -2.7343805836   1.5984303969
H   -0.8306050440   1.3112930190  -0.3441342620
H    5.8444431719  -0.9733578131  -2.2375711076
H    6.4147349037  -2.6237504673  -0.4525583398
H   -1.3069854240  -1.7152676315  -1.9664300706
H   -5.6081178811   0.2841882629   1.0289899834
H   -1.6996688034   2.4380163884   1.7146119590
H   -2.8681523431   3.7575463132   1.8590378729
H   -2.2984206405   3.2738267300   0.2542761333
H   -6.3278583281  -3.7063639592  -0.8628336805
H   -4.5769186001  -3.7813539851  -0.5952654780
H   -5.2223463579  -3.0031192930  -2.0577866475
*