! 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   0.5051386313   0.2276592576   2.8588448985
Cl   3.7814827939   2.6305570173  -0.5870607527
O   -2.0374083357  -0.5720967923  -0.7907079788
O   -2.0509222459  -0.0375738659   1.3972128418
N    0.0434214349  -2.5577036479  -0.2664917329
N    1.3610435728  -2.5241834484  -0.0464003098
N    0.9347417345  -3.1638966232  -2.1536001249
C   -1.2555368321  -0.5685388446   0.3721257547
C   -3.2063874909   0.2195078257  -0.5731210566
C   -3.3880463548   0.0582382090   0.9249441632
C   -0.8888381542  -2.0278066752   0.6969103327
C   -0.0014154958   0.2747369255   0.1726531901
C   -3.0252588945   1.6568626566  -1.0367623373
C   -4.3291359554   2.4390635774  -0.9852840546
C    0.8390796410   0.6571180528   1.2149694449
C    0.3839642417   0.6311244578  -1.1158796623
C    1.9977281153   1.3856013274   0.9936240376
C    1.5375805151   1.3528688533  -1.3687889238
C   -0.1914735187  -2.9287835984  -1.5259547958
C    2.3353608654   1.7277507925  -0.3035307737
C    1.8465726725  -2.8967324364  -1.1997167337
H   -4.0211611896  -0.2487949717  -1.1296622058
H   -3.8665189238   0.9086600307   1.4099316342
H   -3.9570003731  -0.8443086859   1.1683308678
H   -1.7916451609  -2.6388592525   0.7014772347
H   -0.4290530565  -2.1031663261   1.6786409679
H   -2.2677156542   2.1586840519  -0.4282378556
H   -2.6477172189   1.6467095667  -2.0620763777
H   -4.1809561933   3.4585319307  -1.3408220224
H   -5.0954406353   1.9803491833  -1.6122650083
H   -4.7280566034   2.5063067687   0.0280475336
H   -0.2291093232   0.3407788155  -1.9562357603
H    2.6260465563   1.6768803418   1.8235017416
H    1.8032509736   1.6123795821  -2.3836971622
H   -1.1830542571  -3.0324060882  -1.9347696204
H    2.9091545748  -2.9875790097  -1.3602470324
*