! 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   0.2348711626  -0.3957110350   2.4142675674
Cl  -4.4320428820  -1.2319437389  -0.0472491990
O    3.5753223271  -1.4302380921   0.0910346133
N    2.2339185653  -1.5932138495   0.2620369943
N   -0.2405339231   3.2975672041  -1.8293270089
C    2.0352951623   0.3484236196  -1.2791751223
C    1.5313891124  -0.7520709579  -0.3844471070
C    0.0624408616  -0.8909024809  -0.2533918753
C    1.2892278539   1.6283649900  -1.0304575280
C   -0.6163721026  -0.7555583101   0.9547801183
C   -0.6965917279  -1.1122561261  -1.4000760247
C    1.3925049813   2.2987219968   0.1827509872
C    0.4534142262   2.1774218889  -1.9938945209
C   -1.9974156966  -0.8618021184   1.0293111786
C   -2.0743012899  -1.2234473787  -1.3556244755
C   -2.7114493207  -1.0998056450  -0.1318467736
C    0.6733279805   3.4666755341   0.3704325191
C   -0.1281343633   3.9239584802  -0.6637070232
C    4.2866459838  -2.3008837680   0.9526098529
H    3.1038521475   0.5018943853  -1.1327615105
H    1.9099648718   0.0423339497  -2.3223192830
H   -0.1977676817  -1.2110128560  -2.3553881663
H    2.0293955407   1.9156085354   0.9707381937
H    0.3452101232   1.6831705917  -2.9540395175
H   -2.5041622414  -0.7531502787   1.9779509863
H   -2.6358100272  -1.4053671680  -2.2607920218
H    0.7299250110   4.0159166410   1.2998528628
H   -0.7023092062   4.8350948075  -0.5450281872
H    4.0880154532  -2.0830768073   2.0038480364
H    5.3418133098  -2.1286940971   0.7505758414
H    4.0551601283  -3.3490729747   0.7532953790
*
