! 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   0.1399798002   0.2453091961   1.9794860809
Cl  -4.5599160138  -1.8175227757   0.4824405579
O    3.3682017765  -1.0451595344  -0.2690437474
N    2.0830312938  -1.3724725680   0.0303736065
N    2.2416874673   3.4458093880  -0.0540671509
C    1.4946793843   0.2012673402  -1.7999246184
C    1.2244238163  -0.7979651405  -0.7056886227
C   -0.1953449994  -1.0645582787  -0.3763312997
C    1.2962671353   1.5790152438  -1.2259264075
C   -0.7805893927  -0.6328449520   0.8121797389
C   -1.0068764820  -1.7188983701  -1.2993116471
C    0.0435719111   2.1770560526  -1.1727329646
C    2.3586094046   2.2664041092  -0.6470271467
C   -2.1216417981  -0.8600053547   1.0850995486
C   -2.3452733570  -1.9646468337  -1.0499939974
C   -2.8886379887  -1.5302885214   0.1482299660
C   -0.0917775846   3.4057233399  -0.5475283293
C    1.0351967849   3.9968860922   0.0001293053
C    4.2524704935  -1.6912174042   0.6262489578
H    2.5003562472   0.0895126392  -2.2021839539
H    0.7944052718   0.0359309115  -2.6208298847
H   -0.5799661393  -2.0534763261  -2.2363176680
H   -0.8178319006   1.6900191432  -1.6141996454
H    3.3544997638   1.8352122941  -0.6699992156
H   -2.5580663155  -0.5133327197   2.0114420489
H   -2.9499517209  -2.4841824043  -1.7800183700
H   -1.0521333381   3.8989696287  -0.4846278774
H    0.9617897382   4.9574163168   0.4977652893
H    4.1815278420  -2.7790956022   0.5560711037
H    4.0753441202  -1.3873356340   1.6605343358
H    5.2554323738  -1.3837764846   0.3358119747
*