! 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   0.1799106610   0.2709408533   1.9673902059
Cl  -4.5469325672  -1.7026160974   0.4317066992
O    3.4106763685  -1.1294148479  -0.2430870197
N    2.1159130425  -1.4316194569   0.0432821738
N    2.0820810354   3.4302503481   0.0560423544
C    1.5624821510   0.1853156806  -1.7650300718
C    1.2740544464  -0.8254413791  -0.6862405213
C   -0.1538413504  -1.0669965674  -0.3708046894
C    1.2805624085   1.5531818837  -1.2032311399
C   -0.7461117207  -0.6033497791   0.8017154810
C   -0.9654104514  -1.7182034016  -1.2954210070
C    0.0125683231   2.1184836625  -1.2447119764
C    2.2752945908   2.2603506687  -0.5351596093
C   -2.0956244059  -0.7953504447   1.0583766402
C   -2.3130137954  -1.9285066496  -1.0626521335
C   -2.8639924829  -1.4618872913   0.1198106991
C   -0.2034741711   3.3366694277  -0.6213156733
C    0.8610294461   3.9501043606   0.0187855400
C    4.2738973390  -1.8223965356   0.6377364868
H    2.5909762469   0.1142962851  -2.1148344296
H    0.9123853603  -0.0079061013  -2.6208644877
H   -0.5322483302  -2.0766160297  -2.2206681994
H   -0.7985367716   1.6143834837  -1.7565711698
H    3.2800256186   1.8523250280  -0.4810042760
H   -2.5375596321  -0.4239266328   1.9724424260
H   -2.9190339596  -2.4448091132  -1.7938510692
H   -1.1784133003   3.8046137065  -0.6297337720
H    0.7234523838   4.9031455643   0.5171871995
H    4.0998529933  -1.5429555063   1.6794461335
H    5.2858535707  -1.5331452583   0.3599786937
H    4.1755635243  -2.9057753776   0.5370684629
*