! 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  -5.3400067714   0.9399126032   0.7959211665
F   -0.1072743235  -0.3419265486  -1.9841779448
F   -0.7968810292  -2.3105063496  -1.4588591288
F   -2.0365616378  -1.0172006843  -2.6406465487
O    2.3564541483   1.9727300911   0.5474607053
N    2.5207720287  -0.8282251744   1.0281699863
N    0.2660984686  -0.8840193702   0.8236647759
N    3.9497421062  -2.4875902252   0.7657779788
C    1.2887138365  -0.1681581042   1.0164353035
C    1.3135527645   1.3352279873   1.2164566723
C    2.2446005204   1.9568313259  -0.8652184260
C   -1.0281721203  -0.3869612047   0.8044789577
C    3.4218036815   2.7020976849  -1.4561163255
C   -1.8026383049  -0.4855026333  -0.3591147838
C   -1.6221182869   0.1145081761   1.9607280539
C   -3.1251552015  -0.0673640226  -0.3609121635
C    3.7386914265  -0.3782391003   1.5031224558
C    3.3519057321   2.7349915810  -2.9751334612
C    2.7205886689  -2.1152739222   0.6023913802
C   -1.1883791478  -1.0403554881  -1.6085115283
C   -2.9429942131   0.5252348343   1.9652116828
C   -3.6865790091   0.4343213978   0.8011490024
C    4.5941236339  -1.4157574585   1.3354573624
H    1.4317472977   1.5464361085   2.2833061575
H    0.3377578269   1.7387866643   0.9205685144
H    1.2996701671   2.4252724698  -1.1724779915
H    2.2372704536   0.9267061778  -1.2455987339
H    3.4419511135   3.7223980542  -1.0639672501
H    4.3496895576   2.2190298821  -1.1383179200
H   -1.0475688296   0.1681988558   2.8762790084
H   -3.7248189690  -0.1291965593  -1.2581023622
H    3.8929079498   0.6010678797   1.9180813665
H    3.3418591222   1.7291682165  -3.3992898427
H    2.4555805474   3.2503292838  -3.3250710003
H    4.2127506605   3.2562957899  -3.3941064625
H    1.9240007593  -2.7018074712   0.1744937537
H   -3.3823158400   0.9110904546   2.8750356739
H    5.6408993428  -1.4515793113   1.5931496638
*