! 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  -0.7914504744  -0.8226322980   2.2529688948
Cl   2.1737230012  -4.0982194263  -0.7207766979
O   -1.8695469988   1.1740608424   0.3324106377
O   -0.5942028357   1.9150377098  -1.3290004314
N    1.6165005411   2.2262332751   0.5777463019
N    2.4891330152   1.4140358052   1.1785357491
N    3.5168201040   2.6559051407  -0.3741978223
C   -0.5462536593   1.2693587771  -0.0918966139
C   -2.7074292753   1.0721569458  -0.8191397108
C   -1.7740283948   1.4666064694  -1.9747494375
C   -3.2986238778  -0.3156975883  -0.9859163976
C    0.2115921238   2.1720242116   0.8871338338
C    0.1194516542  -0.1010692571  -0.2243155747
C   -4.1822581857  -0.7881957215   0.1635334695
C    0.0509626917  -1.0820942764   0.7623533815
C    0.8794945260  -0.3901493520  -1.3529349035
C   -5.4126830815   0.0742509144   0.4058888493
C    0.6723572530  -2.3126712152   0.6169639078
C    1.5190278681  -1.6062715587  -1.5224270524
C    2.2413016416   2.9561765322  -0.3510590835
C    1.3997476665  -2.5645378826  -0.5327567928
C    3.6134900668   1.7075168312   0.5794912074
H   -3.5040966075   1.8108381308  -0.6990388731
H   -1.5655222706   0.6161741360  -2.6339805025
H   -2.1672905319   2.2812092958  -2.5819329259
H   -2.4881731299  -1.0348890902  -1.1416484896
H   -3.8808926124  -0.3085787457  -1.9141466027
H    0.1085478206   1.8082634997   1.9066000567
H   -0.2079066220   3.1775312334   0.8440101201
H   -3.5899733355  -0.8516795653   1.0789010273
H   -4.5020031219  -1.8096784948  -0.0570422549
H    0.9831416896   0.3522355084  -2.1319319842
H   -6.0543564742  -0.3710105945   1.1674932055
H   -5.1564488880   1.0762897727   0.7531887953
H   -6.0109140769   0.1832415469  -0.5013161035
H    0.5935068864  -3.0591169979   1.3951062282
H    2.0996320873  -1.7951497258  -2.4145222966
H    1.7387389291   3.6859694454  -0.9660002408
H    4.5412650455   1.2231661482   0.8419687975
*