! 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  -0.3307520959  -0.9092213094   2.2730998171
Cl   0.2528914688  -5.1834230184  -0.8487253938
O   -0.6569006407   1.3463148945   0.3396648000
O    0.6070276106   1.4252818143  -1.4862837853
N    1.8742890986   2.6744419610   0.6460728321
N    2.7314512355   3.3141208110  -0.1537843037
N    1.5414866690   4.7821083397   1.0559806160
C    0.5057919977   0.8289579419  -0.2289261992
C   -1.5920519131   1.6034738645  -0.7060575427
C   -0.7097190104   1.6498532902  -1.9637971605
C   -2.6865653577   0.5554155448  -0.7922065419
C    1.7207157329   1.2444677864   0.6010765518
C    0.4482121232  -0.6953994261  -0.3440382857
C   -3.5462890779   0.4402892927   0.4583234605
C    0.0705615876  -1.5304184341   0.7065567644
C    0.7932824841  -1.3053434447  -1.5461808895
C   -4.6123385718  -0.6352343452   0.3186350916
C    0.0089033025  -2.9079748042   0.5614383598
C    0.7386446158  -2.6776472138  -1.7213077346
C    1.1669999570   3.5604422070   1.3476053904
C    0.3383440697  -3.4687204602  -0.6599016909
C    2.4984305672   4.5667208535   0.1343098655
H   -2.0367576709   2.5797018834  -0.4972731430
H   -1.0004553131   0.8812866872  -2.6873033085
H   -0.7360146639   2.6177218762  -2.4633503143
H   -2.2494154498  -0.4184286515  -1.0376448764
H   -3.3189567039   0.8245672951  -1.6450448282
H    2.6256518622   0.8226571385   0.1685033237
H    1.6366398937   0.8610441118   1.6160259196
H   -4.0194086659   1.4046827348   0.6660779580
H   -2.9155003892   0.2136515024   1.3202629421
H    1.1116888681  -0.6966996953  -2.3804819756
H   -5.2752056778  -0.4341269457  -0.5251422658
H   -4.1628142172  -1.6168134625   0.1559122797
H   -5.2315342438  -0.7033085421   1.2138712516
H   -0.2918168998  -3.5306094885   1.3922209454
H    1.0050399166  -3.1149536274  -2.6730776349
H    0.4165578513   3.2800810798   2.0685046984
H    3.0467873602   5.3647434076  -0.3410893122
*
