! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -0.2628459552  -0.2078666170  -2.1422182597
Cl   4.0452009860  -2.0153340873   0.4481580862
O   -0.8165771591   2.5109798243   1.1896324678
N   -2.3788585055  -0.7327281189   0.6692470500
N   -2.2623536104  -2.8742197746   0.1645348634
C   -0.9904543025   1.3005623720   0.4980992705
C   -2.0612359686   0.5326082049   1.2821766847
C    0.2920582349   0.5011008461   0.4261169365
C    0.6836131817  -0.2270600619  -0.6916146902
C    1.1111292662   0.4331455378   1.5509170084
C   -3.2677307684  -0.9409106083  -0.3492674834
C   -1.7979144998  -1.9256786172   0.9320777274
C   -0.0359976070   3.4798901308   0.5059925872
C    1.8351355811  -1.0020185368  -0.6994587317
C    2.2650235980  -0.3286317333   1.5752582495
C    2.6139503985  -1.0461546374   0.4420250337
C   -3.1832303917  -2.2696388742  -0.6423745845
C   -0.6837292409   3.9528901050  -0.7571887736
C   -0.1373452936   3.8137901923  -1.9580571795
H   -1.3700581988   1.4866273497  -0.5123987563
H   -1.7239926018   0.3526326002   2.3042140479
H   -2.9683464458   1.1343715131   1.3387650488
H    0.8414527152   0.9938928968   2.4370466136
H   -3.8696367229  -0.1466711857  -0.7594027997
H   -1.0506822668  -2.0415462315   1.7029800228
H    0.0698249110   4.3094351439   1.2082667408
H    0.9720800802   3.1026416590   0.2959474083
H    2.1131648096  -1.5619161394  -1.5816213993
H    2.8785751859  -0.3628730224   2.4647907237
H   -3.7376111017  -2.8194260415  -1.3873077448
H   -1.6542291230   4.4296556599  -0.6543569289
H   -0.6290336176   4.1763330312  -2.8518789019
H    0.8241838785   3.3319247764  -2.0957266079
*