! 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   0.0648689923   0.1416165305  -2.6282238582
Cl  -2.4466528707   3.6764869241   0.4392400139
O    1.5424678810  -1.5451669887   1.4078444229
N   -0.8262528492  -2.5692976883  -0.0600385800
N   -1.0167852151  -2.7994667654   1.2420910871
N   -2.9795263325  -2.6196595543   0.1925927218
C    1.2052639634  -1.1688585281   0.0936413436
C    2.5278849112  -0.8981503808  -0.6439375490
C    0.5024182142  -2.3674700301  -0.5840131303
C    3.2188964328   0.4320969246  -0.3598575743
C    0.2835750913   0.0606438724   0.1167977170
C    3.7413985321   0.6440785496   1.0559335597
C   -0.2632192470   0.6822079203  -1.0081651894
C   -0.0522994054   0.6287083255   1.3453947661
C    4.4858464797   1.9648023645   1.1873084763
C   -1.0997664930   1.7858238170  -0.9204695958
C   -0.8810599583   1.7305238679   1.4676253620
C   -2.0047615778  -2.4537431947  -0.6714097880
C   -1.4053303386   2.3027359878   0.3243160949
C   -2.3230029110  -2.8227323646   1.3479827661
H    2.3544024672  -0.9617877105  -1.7183629111
H    3.2023812017  -1.7250230518  -0.4022614840
H    1.0971019599  -3.2653723970  -0.4079141271
H    0.4135983904  -2.2452115184  -1.6587494212
H    4.0650650356   0.5019099488  -1.0507071306
H    2.5558910452   1.2601605737  -0.6299804326
H    4.4063479233  -0.1824195061   1.3259238211
H    2.9219773797   0.6230575826   1.7763862390
H    0.7780324806  -1.9836785323   1.8148834640
H    0.3550093711   0.2047496958   2.2508955702
H    3.8249624704   2.8122025372   0.9902830159
H    4.8961342693   2.0977080326   2.1894487491
H    5.3175602677   2.0293544239   0.4818240604
H   -1.5036278207   2.2339496047  -1.8177388882
H   -1.1089141539   2.1299597224   2.4461818716
H   -2.1033789630  -2.2593928782  -1.7281539973
H   -2.8169006505  -2.9955129131   2.2914026484
*