! 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   0.8799034066  -0.3498603194  -3.0351364474
Cl   3.6533542895  -2.8136111255   0.8151921279
O   -0.6831841733   2.1503145855   0.2237632724
N   -2.2429689919  -0.3538763646   0.1320228128
N   -2.2510037710  -2.0572932539   1.5359302339
C   -0.5518041780   1.1914002590  -0.7920152414
C   -1.8673034540   0.4320140530  -1.0173819486
C    0.5422385144   0.2306663286  -0.4018540650
C    1.2212349709  -0.5351418077  -1.3443558433
C    0.8574067280   0.0163874608   0.9374065526
C   -2.7697951717   0.1133681570   1.3054344161
C   -1.9306738436  -1.6529067569   0.3348769442
C   -1.2688308203   3.3690162274  -0.1975664126
C    2.1817318538  -1.4695028166  -0.9895087453
C    1.8072763180  -0.9125439715   1.3250523369
C    2.4628704951  -1.6484995794   0.3530890673
C   -2.7767684588  -0.9544735299   2.1528030559
C   -1.2958329928   4.3033425727   0.9641501352
C   -2.3597943859   5.0140774361   1.3127789360
H   -0.2966374264   1.6773625749  -1.7428914178
H   -2.6717666628   1.1271568987  -1.2581496439
H   -1.7703909191  -0.2335803288  -1.8742593145
H    0.3487151268   0.5815653622   1.7057291741
H   -3.1035614578   1.1300045097   1.4278042861
H   -1.4890479495  -2.2622004100  -0.4392889229
H   -0.6699512837   3.8025988453  -1.0103319903
H   -2.2827226700   3.2243426833  -0.5886602830
H    2.6956156360  -2.0439524099  -1.7473574353
H    2.0268864583  -1.0583489302   2.3733493406
H   -3.1372622553  -0.9868651887   3.1689676694
H   -0.3634325245   4.4210347071   1.5083894312
H   -2.3244928795   5.7171253326   2.1346295693
H   -3.3048863524   4.9246544946   0.7895932881
*
