! 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  -5.6380305893  -0.0233709754   0.4659436089
O    2.5089883152  -1.1059807396  -1.6875604615
O    0.0391291566  -1.0720396044  -0.5448851631
N    1.0882877459   0.9465671614  -0.0289324532
N    1.3210188393   1.4752348004  -1.2371580743
N    1.0660316551   3.0947246027   0.2910226360
C    3.6669096370  -0.7758806132   0.4661893471
C    2.3749192541  -1.1744471139  -0.2893756968
C    1.0854812083  -0.4838204359   0.1817742026
C    4.7366961429  -1.8046174725   0.0836391605
C    4.1999839248   0.6130454834   0.1058617170
C    3.4393198607  -0.8575510224   1.9767883658
C    0.9385985813   1.9256424355   0.8670844308
C   -1.2555609951  -0.7849302180  -0.2373186663
C    1.2984778158   2.7593868827  -0.9929176596
C   -1.6805552106  -0.2299234724   0.9630736700
C   -2.1904869780  -1.1099695983  -1.2159728992
C   -3.0326536305   0.0046109826   1.1762584142
C   -3.5374766563  -0.8852056359  -1.0004609840
C   -3.9522713098  -0.3205968972   0.1966002499
H    2.2056499824  -2.2315017150  -0.0555945011
H    0.9673376741  -0.6440726633   1.2560949572
H    5.6606656495  -1.6104332703   0.6310340414
H    4.4199850332  -2.8222292865   0.3248522275
H    4.9717219570  -1.7705121508  -0.9802821145
H    3.5761832902   1.4287113248   0.4709940330
H    4.3393489718   0.7408306276  -0.9685211145
H    5.1807271398   0.7498797074   0.5653721816
H    4.3904542873  -0.7628197240   2.5028005446
H    2.9990739042  -1.8134391320   2.2703954065
H    2.7942647953  -0.0611835298   2.3535401745
H    2.4810012513  -0.1786798558  -1.9581843161
H    0.7490638596   1.7485870762   1.9140899646
H    1.4556956613   3.4856640825  -1.7740572764
H   -0.9971389178   0.0122910849   1.7641368203
H   -1.8610927364  -1.5447766658  -2.1501819555
H   -3.3524290176   0.4393689561   2.1127603834
H   -4.2534869541  -1.1443581439  -1.7678152200
*