! 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  -0.0090898776  -0.9288901496   2.3252006642
Cl   0.1232747901  -5.1891168596  -0.8685331691
O   -0.6135818395   1.3341432152   0.4769619734
O    0.3876822964   1.4048787037  -1.5259161136
N    1.8974266079   2.6596206264   0.5006812752
N    1.4964070589   3.3165425446   1.5906380611
N    2.2096300221   4.7530380560   0.0277605561
C    0.4529078830   0.8209926863  -0.2526699685
C   -1.6241866818   1.7513912773  -0.4356903135
C   -0.7894923358   2.1931557390  -1.6300451755
C   -2.6260621781   0.6563909081  -0.7697196639
C    1.7817027210   1.2303018812   0.3956096921
C    0.3884688000  -0.7019300758  -0.3752947356
C   -3.3528635829   0.0827504950   0.4388834256
C    0.1652592833  -1.5421138457   0.7140233716
C    0.5631900535  -1.3061763754  -1.6169300685
C   -4.2689983649  -1.0703379399   0.0593263813
C    0.0789654779  -2.9191527682   0.5718806206
C    0.4901238080  -2.6779624345  -1.7871744024
C    2.3142253120   3.5276007198  -0.4254143339
C    0.2373488755  -3.4747740929  -0.6848370306
C    1.7058372385   4.5650073490   1.2641063444
H   -2.1399521473   2.5948526103   0.0289218368
H   -1.2739252362   1.9956630282  -2.5879033848
H   -0.5366115418   3.2562922803  -1.5834955655
H   -2.1369195666  -0.1501560130  -1.3262417865
H   -3.3571548697   1.0923672793  -1.4584600181
H    2.6034732298   0.8523824637  -0.2126864488
H    1.8891322699   0.8087725603   1.3922229368
H   -3.9346467991   0.8734229296   0.9230057833
H   -2.6292801845  -0.2619893760   1.1803288710
H    0.7516571550  -0.6911337148  -2.4851534690
H   -5.0145577001  -0.7671083871  -0.6789319366
H   -3.7010639777  -1.8987930157  -0.3697644769
H   -4.8054704977  -1.4572742662   0.9268550771
H   -0.1074473443  -3.5447458948   1.4337564172
H    0.6242111206  -3.1111091425  -2.7686111778
H    2.6890332707   3.2249156620  -1.3904975526
H    1.4923552933   5.3741751163   1.9454881308
*