! 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  -2.5598113587  -2.6536785314   0.0347910601
Cl  -4.2596895080   2.4611156148  -0.5194030253
O   -0.0909719774  -1.3895197922   0.9370170335
O    2.1720918336  -1.1474810777  -1.7556216112
N    2.3559930032  -0.3306053896   0.3672558908
C    0.6517870900  -1.9858908695  -0.1261695924
C   -1.0535506701  -0.5014171230   0.5712875250
C    1.7980104021  -1.0917767713  -0.5987628498
C    1.1953671477  -3.3108486724   0.3707855358
C   -3.3247233596  -0.0795824010  -0.2422486233
C   -2.2919949565  -0.9483341171   0.1171677469
C   -0.8361279479   0.8618204719   0.6895022223
C    3.4112582929   0.5847527189   0.2809476214
C   -3.0548009523   1.2831641610  -0.1106396964
C   -1.8378433424   1.7535078896   0.3557829437
C   -4.6310512845  -0.6225648634  -0.7284746349
C    4.1500659377   0.8265192994  -0.8773750234
C    3.7180949511   1.2923514668   1.4455254086
C    5.1709206591   1.7674590376  -0.8522144874
C    4.7396801424   2.2255214916   1.4545096163
C    5.4745602910   2.4720107307   0.3024077072
H    0.0134833367  -2.1528244937  -0.9983388429
H    1.8358866063  -3.1815000099   1.2441358243
H    1.7807559189  -3.7935207416  -0.4110537310
H    0.3766744118  -3.9785447509   0.6374943925
H    1.9479187926  -0.4185307621   1.2869402003
H    0.1098204712   1.2344141508   1.0582002575
H   -1.6658790417   2.8161161186   0.4555518009
H   -5.1078061654  -1.2373052206   0.0361400609
H   -4.4893741843  -1.2517190003  -1.6078766673
H   -5.3285649513   0.1648203643  -0.9975750278
H    3.9432174972   0.2957659961  -1.7919289414
H    3.1511432502   1.1108312409   2.3517600956
H    5.7358743673   1.9451212695  -1.7583190193
H    4.9594561892   2.7623861903   2.3681585393
H    6.2728733995   3.2021613357   0.3063134321
*