! 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  -6.0092304623   1.4365403772  -1.9723149799
O    2.8854220699   1.6615933843  -0.3068822701
O    1.9567887116  -1.2805593258   2.4444309428
N    2.3857928375  -0.4226149254   0.3873288773
N    1.6419388574  -2.6297929948   0.6442539175
N    0.3342928589  -4.1726803573  -0.2259333779
C    2.6178145801   0.9630398844   0.8863754037
C    2.7927547764  -0.5465581849  -1.0386773029
C    3.5556044110   0.7745468904  -1.1707753692
C    1.3794016701   1.5828497046   1.5283033810
C    3.8210855907   1.0393003092   1.8208565444
C    3.7319113174  -1.7100738159  -1.3207253990
C    1.6086971300  -0.5575419443  -1.9994182293
C    0.1001669253   1.4742956048   0.7127146695
C    2.0192660900  -1.3833263682   1.2348909485
C   -1.0866904542   2.1258491671   1.4239244641
C   -2.3445841069   1.9815721166   0.6170347220
C    2.2819640884  -3.8296341033   0.8349904780
C    0.4673360137  -2.9004671999   0.0187860972
C   -2.7569850467   2.9823043883  -0.2579752666
C   -3.0951188582   0.8092341360   0.6758303590
C    1.4674319011  -4.7612177518   0.2720025876
C   -3.8817479915   2.8260308682  -1.0555507803
C   -4.2216621708   0.6323157459  -0.1130228369
C   -4.6039117962   1.6466250683  -0.9768770513
H    4.6084546146   0.6515719629  -0.8876291715
H    3.5225806670   1.1707775389  -2.1850523285
H    1.6143287675   2.6368042426   1.7054181585
H    1.2294921614   1.1429409541   2.5149400830
H    4.7165019099   0.6100683551   1.3698631629
H    3.6382718523   0.5216131104   2.7582582634
H    4.0275200244   2.0849083480   2.0514836040
H    3.2154088386  -2.6627610627  -1.4183287080
H    4.5026404328  -1.8057796444  -0.5550717843
H    4.2353525138  -1.5255465384  -2.2713146474
H    1.9790655701  -0.4756826796  -3.0219929861
H    1.0385780640  -1.4821853999  -1.9442699371
H    0.9299837069   0.2762216373  -1.8240781706
H    0.2299379578   1.9424197454  -0.2657646903
H   -0.1452141802   0.4250071806   0.5247182842
H   -0.8743324484   3.1831922754   1.5993640723
H   -1.2193752088   1.6632371555   2.4054244698
H    3.2431488601  -3.9008676579   1.3154860684
H   -0.2646982486  -2.1373669361  -0.1947753020
H   -2.1936203151   3.9052575751  -0.3230629836
H   -2.7996596753   0.0144415065   1.3504653565
H    1.6394005828  -5.8225364183   0.1943157749
H   -4.1863894197   3.6165543683  -1.7278027356
H   -4.7912044348  -0.2850324326  -0.0514117076
*