! 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  -0.0924993228  -2.3231987764  -2.0473022593
Cl  -4.5624926749  -1.7697645473   0.8551594521
O    3.2809651485  -0.3490987944   0.7051519022
N    2.0146288844  -0.8035854131   0.8860614616
N    0.0530838349   3.7803910182  -0.2201980623
C    1.5485024076   0.4688329449  -1.1854207380
C    1.2101294373  -0.4351201976  -0.0260119603
C   -0.2041633569  -0.8130408204   0.1931782567
C    1.4613639723   1.9032765993  -0.7313639146
C   -0.9089357073  -1.6258221273  -0.6903157355
C   -0.8848631566  -0.3220917355   1.3037468620
C    2.5790641639   2.6355296006  -0.3498713275
C    0.2246649979   2.5381732435  -0.6493135922
C   -2.2462276844  -1.9304072014  -0.4999954308
C   -2.2214985816  -0.6098318497   1.5222956090
C   -2.8906462051  -1.4078415399   0.6097841781
C    2.4123362691   3.9389734125   0.0907863461
C    1.1306181872   4.4631057867   0.1466086279
C    4.1229769132  -0.8264163982   1.7375535330
H    2.5427220817   0.2492538136  -1.5745596931
H    0.8425906452   0.3033620142  -1.9992953556
H   -0.3598388156   0.3103397559   2.0070477276
H    3.5678995274   2.1990672631  -0.4050339930
H   -0.6733889084   2.0118803237  -0.9589871328
H   -2.7703196758  -2.5682343332  -1.1979556614
H   -2.7289208817  -0.2097992183   2.3887748045
H    3.2602295122   4.5413745989   0.3871829919
H    0.9684691626   5.4767497260   0.4957540407
H    3.7973401139  -0.4766507008   2.7198394241
H    5.1131802146  -0.4251400285   1.5300082132
H    4.1773109179  -1.9173977528   1.7452135792
*