! 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  -5.0038271679   1.6484650218   0.3418679785
F   -1.0768937005  -2.9595949120   0.6090435438
F   -2.6801546399  -2.8083218623  -0.8098105242
F   -0.6960102635  -2.2056254655  -1.3688365954
O    2.2664052828   1.3272021669  -1.5615387015
N    2.6431567797  -0.8826982584   0.3003522403
N    0.4534949153  -0.5429978279   0.7884488582
N    4.1625221593  -1.9404530535   1.4996954449
C    1.3936078518  -0.3550611165  -0.0326460242
C    1.2895145665   0.3508189592  -1.3703738712
C    2.1041540191   2.4824655098  -0.7590976918
C   -0.8220540241  -0.0195234500   0.6193840667
C    3.1818577525   3.4806424393  -1.1227610093
C   -1.8665509699  -0.7988833894   0.1080322564
C   -1.1030965519   1.2734492555   1.0547877932
C   -3.1519955173  -0.2815885988   0.0219614292
C    3.7855565186  -0.9475265940  -0.4765946908
C    3.0633353563   4.7551540034  -0.3019097594
C    2.9442198868  -1.5033044466   1.4843340142
C   -1.5842487287  -2.1929874879  -0.3608494993
C   -2.3816729162   1.7926719635   0.9685490604
C   -3.4000201549   1.0099430193   0.4506754488
C    4.6992920241  -1.5991333495   0.2813619426
H    0.2801133087   0.7638474771  -1.4728650928
H    1.4103096890  -0.3920729010  -2.1637036038
H    2.1779371817   2.2320119880   0.3088223275
H    1.1091388273   2.9186429840  -0.9224310224
H    4.1631547558   3.0264868827  -0.9619258174
H    3.1106387182   3.7178125087  -2.1875461832
H   -0.3088960784   1.8769489990   1.4742515722
H   -3.9619577127  -0.8750898034  -0.3780142362
H    3.8568585006  -0.5397309654  -1.4678073082
H    2.1066685493   5.2538517460  -0.4685890127
H    3.1501709888   4.5551982269   0.7676912997
H    3.8497319826   5.4623720594  -0.5662248340
H    2.2220472577  -1.5941306980   2.2787311572
H   -2.5756780282   2.8016133913   1.3060271964
H    5.7163405633  -1.8435667348   0.0185055439
*