! 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  -6.4372579828   3.7880596552   1.1555390894
O    2.1262959514   0.9974355127   0.7936564102
O    4.4193220942  -2.4872950776  -0.6864078295
N    2.9309871267  -0.8320733201  -0.2433349125
N    2.2805216141  -3.0887146502  -0.2203539131
N    0.6388436228  -4.4636431544  -0.7313074381
C    1.7057774102  -0.2984161217   0.4369233774
C    3.8969287670   0.2648985306  -0.5001310463
C    2.9894482982   1.4594685118  -0.2191418153
C    0.5178630250  -0.2273511151  -0.5308189919
C    1.3624056315  -1.0174051632   1.7308771620
C    5.0534384932   0.2482953171   0.4975445674
C    4.3942162936   0.2970300101  -1.9363414511
C   -0.6550863796   0.5926760451  -0.0078915393
C    3.3039033050  -2.1042113560  -0.3951193102
C   -1.8058267561   0.6125639651  -1.0156008603
C   -2.9786076358   1.3984667403  -0.5053876563
C    2.2762758319  -4.0614369131   0.7492684698
C    1.2860406612  -3.3929338588  -1.0942092294
C   -3.9703307961   0.7868486088   0.2574596567
C   -3.0795506841   2.7675820749  -0.7384443495
C    1.2416419999  -4.8816175753   0.4263425627
C   -5.0353050337   1.5110446974   0.7724291511
C   -4.1364156151   3.5104650272  -0.2328890452
C   -5.1078714468   2.8717859848   0.5209851591
H    3.5405133650   2.3228450930   0.1519316152
H    2.4365886514   1.7671550384  -1.1151057992
H    0.1653236099  -1.2387898742  -0.7344647134
H    0.8452663194   0.1780956524  -1.4927528338
H    0.8095743694  -1.9388812848   1.5653123818
H    0.7290214855  -0.3722518712   2.3393236646
H    2.2582438319  -1.2404387188   2.3105293468
H    5.6833163982  -0.6301582002   0.3830939727
H    4.6925605012   0.2812853356   1.5263598965
H    5.6794408177   1.1267117701   0.3360924154
H    4.8910134079   1.2516386434  -2.1175271717
H    5.1138903551  -0.4902870563  -2.1479733669
H    3.5694984396   0.2154671226  -2.6450621878
H   -1.0207481328   0.1783023363   0.9355941264
H   -0.3435931025   1.6187136954   0.1996922705
H   -2.1151474022  -0.4129654263  -1.2328138903
H   -1.4540773310   1.0405475532  -1.9576819785
H    2.9731862658  -4.0623819994   1.5702265803
H    1.1154430092  -2.8243098778  -1.9944961830
H   -3.9177908593  -0.2773157057   0.4537905479
H   -2.3230328230   3.2695009747  -1.3296106929
H    0.8994310548  -5.7504867139   0.9648106591
H   -5.7977456677   1.0164330528   1.3586722334
H   -4.1989681064   4.5723097288  -0.4286176445
*