! 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   1.5742590377   2.2307375017   1.1393917975
Cl   5.5191821234  -1.0699123681  -0.2470476486
O   -1.1197199906  -0.9414965259  -0.6021969294
O   -0.8715416016   0.5583351837   1.0199205467
N   -2.0701379619   1.6815389168  -1.2717288748
N   -2.5193001971   2.7183123743  -0.5581021690
N   -4.2198902966   1.6769120185  -1.5875450331
C   -0.3955754190   0.1987104978  -0.2377805672
C   -1.5934239019  -1.5973707214   0.5779786750
C   -1.1220004597  -0.6612330394   1.6959137048
C   -3.1015828612  -1.7600786898   0.4914982567
C   -0.6852293062   1.2957149602  -1.2636035760
C    1.1046464721  -0.1007326744  -0.2153589573
C   -3.6869419980  -2.6369747140   1.5955670403
C    2.0400826395   0.7469532988   0.3768698167
C    1.5890023005  -1.2501029669  -0.8319821438
C   -3.2791284890  -4.1015179232   1.5067087377
C    3.3959386010   0.4569198247   0.3746097385
C    2.9376218399  -1.5638727243  -0.8525032807
C   -3.0936486011   1.0670319598  -1.8655107621
C    3.8311409261  -0.7034026343  -0.2410582887
C   -3.8053658594   2.6742651505  -0.7832270285
H   -1.1030402781  -2.5715589635   0.6584579239
H   -1.8759067633  -0.4824443070   2.4623421870
H   -0.2170151677  -1.0357576197   2.1846389378
H   -3.3550398737  -2.1930460798  -0.4807625426
H   -3.5665095266  -0.7702431933   0.5253589856
H   -0.4138501977   0.9280913145  -2.2523818968
H   -0.0893005387   2.1837720490  -1.0711231236
H   -4.7753181410  -2.5680215228   1.5397688716
H   -3.4161708528  -2.2383172179   2.5779018043
H    0.8981320999  -1.9270827160  -1.3133452312
H   -3.7817191129  -4.6929276082   2.2725766548
H   -3.5452875004  -4.5256145088   0.5368489296
H   -2.2067211181  -4.2441916421   1.6448388198
H    4.0981327738   1.1298549243   0.8466033503
H    3.2772816960  -2.4672557190  -1.3387681836
H   -2.9737226839   0.2059719535  -2.5024814852
H   -4.4762033816   3.4009942456  -0.3527225730
*