! 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  -0.8025878401  -0.6522872636   2.3895558075
Cl   2.0903837305  -4.1254925334  -0.4254755038
O   -1.9042771590   1.2559260853   0.3927525550
O   -0.6322969493   1.8313386513  -1.3725343310
N    1.6178384199   2.1896952949   0.4919948265
N    2.4823456719   1.3925774362   1.1278057856
N    3.4688674913   2.3730371122  -0.6326188278
C   -0.5906740879   1.2825229163  -0.0803511548
C   -2.7872530530   1.3359718851  -0.7250565421
C   -1.9725661237   2.1896732694  -1.6821430263
C   -3.1541914786  -0.0294546086  -1.2868608205
C    0.2200534916   2.2128689492   0.8386710557
C    0.0461187318  -0.1024508688  -0.1533202300
C   -3.7808850945  -0.9840255998  -0.2763553065
C    0.0049474378  -1.0121016163   0.9002969053
C    0.7629850471  -0.4760028236  -1.2863005778
C   -5.1165924470  -0.5050316118   0.2767877651
C    0.6206398299  -2.2521118371   0.8238637778
C    1.3986050848  -1.7015545902  -1.3863780584
C    2.2160543723   2.7510976239  -0.5607335712
C    1.3151876478  -2.5843897632  -0.3252740345
C    3.5712456554   1.5404930974   0.4210306943
H   -3.6806671509   1.8638728082  -0.3875510491
H   -2.1653345003   1.9688273251  -2.7324447627
H   -2.1361881836   3.2579417363  -1.5132705251
H   -2.2722351792  -0.4978768096  -1.7345087366
H   -3.8557765018   0.1403726729  -2.1098384295
H    0.1294051246   1.9167760047   1.8807726413
H   -0.1592092630   3.2307965086   0.7456651693
H   -3.0846311548  -1.1626042404   0.5463228511
H   -3.9228051311  -1.9506700017  -0.7654418894
H    0.8327592110   0.2036410898  -2.1228453346
H   -5.5697445753  -1.2645246753   0.9156119706
H   -5.0159169450   0.4007527446   0.8777742646
H   -5.8224952315  -0.2895148454  -0.5285264142
H    0.5628010869  -2.9421831890   1.6540133893
H    1.9472286605  -1.9569133627  -2.2819291842
H    1.7183288951   3.4379305703  -1.2256542613
H    4.4852734939   1.0307640302   0.6822149537
*
