! 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  -5.4189159561  -0.6880814927   0.5293723341
O    3.6236512871   0.6732657234  -0.1687197962
O    0.3269568270  -0.5983502689  -0.6181847551
N    1.1024182527   1.5781177733  -0.4343684910
N    1.4314216468   1.9242611636  -1.6845781878
N    0.5560583723   3.6741874983  -0.5861806348
C    3.0762386556  -1.4949635514   0.6730609032
C    2.6602055584  -0.3454103723  -0.2716573170
C    1.2549562044   0.2225866240   0.0373937259
C    4.3780145865  -2.0940406504   0.1325891692
C    3.3126847205  -0.9919477760   2.0991779527
C    2.0235607850  -2.6051016486   0.7062817117
C    0.5790763693   2.6290185235   0.2014580022
C   -0.9925053203  -0.5531526146  -0.2886391230
C    1.0883955354   3.1842857932  -1.7230745391
C   -1.4927885493  -0.0651196584   0.9123323694
C   -1.8659385297  -1.0759037705  -1.2381581219
C   -2.8584273339  -0.1082120012   1.1610357615
C   -3.2252044349  -1.1221553469  -0.9892876489
C   -3.7162477495  -0.6349957994   0.2132987178
H    2.6242189999  -0.7438297290  -1.2943212778
H    1.0914708507   0.2617384606   1.1170805238
H    4.7027300231  -2.9230158637   0.7643417317
H    4.2449461468  -2.4868210998  -0.8781447337
H    5.1888733615  -1.3665526682   0.1054773796
H    3.6179960835  -1.8237051019   2.7367251572
H    2.4140119778  -0.5660086733   2.5508670219
H    4.0999307578  -0.2402713893   2.1501101351
H    2.4156421175  -3.4551066555   1.2678008856
H    1.7717523182  -2.9653189801  -0.2924054909
H    1.0985361976  -2.3053245479   1.2009283092
H    3.5946505364   1.2010611466  -0.9738940971
H    0.2479619312   2.5937316560   1.2276074260
H    1.2316257614   3.7807011435  -2.6101604505
H   -0.8561092641   0.3387659177   1.6868763895
H   -1.4774129771  -1.4524558300  -2.1753434691
H   -3.2366280240   0.2706033985   2.1003461256
H   -3.8929852327  -1.5324178187  -1.7341881746
*