! 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  -5.3855831376  -0.6006373519   0.2510551332
O    3.0233910534  -0.0385078447  -1.3218365272
O    0.4106750859  -0.4504661629  -0.5935960666
N    1.2217755258   1.6241804040   0.0613868649
N    1.2836992000   2.4757643374   1.0896287631
N    1.1449157234   3.5899707005  -0.8513946909
C    2.9863355289  -1.7893175753   0.4135581821
C    2.7154008545  -0.3165699501   0.0227159039
C    1.2965143344   0.1870363834   0.2737174199
C    2.5299508132  -2.0323747432   1.8527919554
C    2.3219485389  -2.8036640167  -0.5175361382
C    4.5049980417  -1.9935956989   0.3476807711
C    1.1455418811   2.2996812929  -1.0872266531
C   -0.9247722908  -0.4257822831  -0.3331766323
C    1.2345996313   3.6372997611   0.4915802853
C   -1.7169469777  -1.1679684606  -1.2049225364
C   -1.5140608848   0.2677048825   0.7170793875
C   -3.0867812545  -1.2236521983  -1.0282931117
C   -2.8908653715   0.2090453986   0.8940452467
C   -3.6687655537  -0.5331600491   0.0254316257
H    3.3365412966   0.2939337508   0.6942898603
H    1.0378243786   0.0277476266   1.3236929114
H    2.9260912181  -1.2796338442   2.5391625504
H    1.4427600813  -2.0389288855   1.9532169673
H    2.8835683609  -3.0043797202   2.2007718610
H    2.6734982002  -3.8077828091  -0.2716385080
H    2.5734275187  -2.6220653233  -1.5630054719
H    1.2366498139  -2.8146897820  -0.4287090530
H    4.8958016033  -1.8794338774  -0.6652875606
H    4.7667487885  -3.0007592237   0.6760596586
H    5.0344213649  -1.2894855321   0.9940543509
H    3.9726216273   0.0946470401  -1.3972688720
H    1.0774120088   1.8344240645  -2.0562379908
H    1.2624030603   4.5601606901   1.0488763985
H   -1.2581890852  -1.7077310503  -2.0231383196
H   -0.9430857441   0.8651927337   1.4138102395
H   -3.6919345231  -1.8049967881  -1.7100919445
H   -3.3411526487   0.7520822616   1.7135164272
*