! 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   2.6425999831   0.0794353326  -2.8471363345
Cl  -6.9146014580  -1.6168257436   1.2617442926
O    3.1991911458  -0.5947584317   1.5846899728
O    3.9646146384  -1.0842575537  -0.4520095716
O   -2.1783493748   0.2730736177  -1.6210343435
N    3.0144180194   2.2714198141   0.5827427703
N    2.7318486007   2.4772793898   1.8713276987
N    1.4496467580   3.7803756698   0.5676223529
C    3.1839179784  -0.1638324365   0.2510552417
C    3.4914969169  -1.9972686181   1.6202074902
C    3.8736623460   1.2041346481   0.1453383803
C    3.7046045656  -2.3399127818   0.1459622579
C    1.7474081919  -0.0986775224  -0.2668549201
C    2.3904470883  -2.7959160675   2.2776342766
C    1.4217002911   0.0179667484  -1.6171044027
C    0.6874945508  -0.0623366616   0.6345714854
C    0.1111054873   0.1153637172  -2.0530969209
C   -0.6313385327   0.0524140096   0.2318188787
C   -0.9172106741   0.1288996900  -1.1229185533
C    2.2310706900   3.0396425742  -0.1765150844
C    1.7983248270   3.3904834645   1.8081828652
C   -3.2554991675  -0.1881931178  -0.9040230107
C   -3.2997524683  -1.4864621953  -0.4140871455
C   -4.3316705725   0.6684364541  -0.7384780508
C   -4.4281913047  -1.9251213204   0.2586937971
C   -5.4673470489   0.2259865315  -0.0773450868
C   -5.5038548928  -1.0653929690   0.4228042668
H    4.4204866755  -2.1230041246   2.1830690762
H    4.1469712687   1.4038213315  -0.8890361791
H    4.7881131778   1.2045359626   0.7370775035
H    4.5580351767  -2.9943409531  -0.0230195276
H    2.8143458747  -2.8082290516  -0.2909580379
H    2.2280884299  -2.4804340077   3.3081095518
H    2.6706760052  -3.8501678860   2.2975493086
H    1.4481982492  -2.7106502931   1.7348506441
H    0.8915607865  -0.1181084362   1.6935705391
H   -0.1136478070   0.1913426730  -3.1085924157
H   -1.4124222805   0.0869267553   0.9789258976
H    2.2801561563   3.0434483335  -1.2541514221
H    1.3520605872   3.8012799460   2.6999125857
H   -2.4664282001  -2.1630389475  -0.5527081347
H   -4.2908079393   1.6767246971  -1.1287538282
H   -4.4638436735  -2.9345049027   0.6443167890
H   -6.3095071140   0.8920132769   0.0491390254
*
