! 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   5.9524896392   0.3815765630  -0.2022613950
O   -2.6490530765   0.1695815214   1.6882352237
N   -2.3245152681  -1.8642831383  -0.4413406579
N   -2.2588065631  -2.5153101758   0.7253850318
N   -0.8491077601  -3.4296026056  -0.7563579392
C   -2.9972869172   1.8660024510  -0.0193443754
C   -2.4225724893   0.4711979133   0.3353000652
C   -2.2870785502   2.1757849931  -1.3468474488
C   -0.9631200029   0.6145419342  -0.0539083996
C   -0.8978356202   1.5145673142  -1.2575761392
C   -3.0550864043  -0.6238213574  -0.5553171984
C   -2.5681654720   2.8824713180   1.0420305224
C   -4.5139763256   1.8963290957  -0.1511187824
C    0.0341890793   0.0741155013   0.6493536897
C    1.4709853474   0.1581689046   0.3882744822
C   -1.4652683028  -2.4053554242  -1.3005773413
C    2.0229589432   0.3852901217  -0.8756474578
C    2.3541738111  -0.0219466073   1.4582574987
C   -1.3652036126  -3.4428216350   0.4838470412
C    3.3943896451   0.4554689866  -1.0618137791
C    3.7262293623   0.0496293281   1.2907296953
C    4.2377105519   0.2937833949   0.0254443267
H   -2.2197741116   3.2507113607  -1.5186335199
H   -2.8511186183   1.7663368304  -2.1877169274
H   -0.0966734182   2.2493451408  -1.1494490306
H   -0.6754376446   0.9600962319  -2.1733253966
H   -3.0538435407  -0.3474768891  -1.6083973220
H   -4.0905136494  -0.8022222183  -0.2646395443
H   -3.0476943174   2.6996230344   2.0039416670
H   -1.4886881189   2.8912123870   1.2067733650
H   -2.8542419973   3.8862972612   0.7223702912
H   -4.8532183603   2.9114726260  -0.3668522497
H   -4.8801673559   1.2636531803  -0.9610769350
H   -5.0047710297   1.5808076801   0.7715492284
H   -2.5166404111  -0.7806188210   1.8237479518
H   -0.2189077135  -0.4674525943   1.5560952084
H   -1.3361455293  -2.0411923661  -2.3075107174
H    1.3883034124   0.4805315695  -1.7442657889
H    1.9595094375  -0.2183990040   2.4476205284
H   -1.0837464301  -4.1644253940   1.2347893928
H    3.7960561577   0.6251564362  -2.0515223018
H    4.3856698841  -0.0870310028   2.1369371442
*