! 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   5.2461262975   4.5001808876  -0.0445798356
O   -0.8269299688  -1.3976961362   1.6516280804
N   -1.7852108573  -3.0340973306  -0.5375206780
N   -2.8635492439  -3.2744146478  -1.2882388343
N   -2.5674316500  -4.9282538176   0.1965073205
C   -1.0334845794  -0.7992492700   0.3913137947
C   -2.3263085312   0.0469041585   0.4122542254
C    0.0146631750   0.3028570841   0.0983214593
C   -2.1469757142   0.9891125117  -0.7902858955
C   -0.6293436620   1.1520225878  -0.9972274877
C   -3.7036857689  -0.6230146000   0.4522892186
C   -0.9562553630  -1.8613715601  -0.7214646376
C    1.4387550438  -0.1615335460  -0.2108830041
C   -3.9142594780  -1.5191728343   1.6684859513
C   -4.7974392109   0.4449786660   0.4348092369
C    2.4070639897   0.9871712567  -0.1807971988
C   -1.6229220800  -4.0276962686   0.3358037662
C    2.7818005294   1.6477621196  -1.3468216529
C    2.9268768734   1.4410356138   1.0292152181
C    3.6507759806   2.7294105215  -1.3155574481
C    3.7981160601   2.5178459588   1.0821592725
C   -3.2981115217  -4.4104349270  -0.8071208625
C    4.1527359571   3.1547947801  -0.0968589610
H   -2.2425546682   0.6523853030   1.3258064927
H    0.0566014312   0.8989733883   1.0179991819
H   -2.6374606341   1.9458387259  -0.6159804404
H   -2.6158376736   0.5598206529  -1.6801108482
H   -0.3294965711   0.7958574867  -1.9862519503
H   -0.3105271349   2.1923906212  -0.9351668577
H   -3.8247269126  -1.2270853802  -0.4502919623
H    0.0709853660  -2.2202156910  -0.8015807115
H   -1.2134546738  -1.4403872769  -1.6920651983
H    1.4800574204  -0.6413410795  -1.1912621892
H    1.7602690535  -0.9110143667   0.5197983809
H    0.0713862140  -1.7466762728   1.6919402373
H   -3.2091932585  -2.3450104762   1.7240879392
H   -3.8211701393  -0.9475001809   2.5952240671
H   -4.9176920607  -1.9489232946   1.6514726657
H   -5.7843941597  -0.0155552293   0.5098637109
H   -4.7895834542   1.0382469128  -0.4797396570
H   -4.6930101853   1.1328129735   1.2783104635
H   -0.8020980342  -4.0764743030   1.0319165421
H    2.3963354883   1.3144907482  -2.3025809991
H    2.6550338722   0.9424367416   1.9519935401
H    3.9316472314   3.2282946615  -2.2330049057
H    4.1961277410   2.8507001796   2.0310378668
H   -4.1785357212  -4.8900116835  -1.2050353921
*