! 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  -4.9591475726   1.7050128840   0.3899244138
F   -2.6805687952  -2.8216490434  -0.5647643171
F   -0.7296920395  -2.2666995977  -1.2719994661
F   -1.0053626269  -2.8617994490   0.7763612972
O    2.2392177059   1.2324197553  -1.9368565181
N    2.6937481534  -0.8070150324   0.1036755998
N    0.5270850028  -0.4411339074   0.6657334568
N    4.2884536529  -1.7214903227   1.3218873083
C    1.4294127364  -0.3026249335  -0.2065217165
C    1.2578541499   0.3071075357  -1.5827564790
C    2.0974124420   2.5339454487  -1.3926001201
C   -0.7560033189   0.0720203430   0.5288024693
C    2.7202660447   2.7119954709  -0.0175891123
C   -1.8261919372  -0.7464626197   0.1475517709
C   -1.0178905738   1.3957939823   0.8745184996
C   -3.1176310575  -0.2398572016   0.1024135679
C    3.7834013520  -0.9705915409  -0.7313855369
C    2.6842867328   4.1741719711   0.4027757135
C    3.0695240793  -1.2854250711   1.3311982616
C   -1.5645038158  -2.1737120001  -0.2236609297
C   -2.3029353548   1.9045085883   0.8299532534
C   -3.3469315854   1.0814031160   0.4426025507
C    4.7441754293  -1.5351243335   0.0386634834
H    0.2535604755   0.7383130956  -1.6528620104
H    1.2993379552  -0.5055594894  -2.3144820952
H    1.0386377121   2.8253606523  -1.3751931546
H    2.5952376942   3.2025341754  -2.0992972376
H    2.1979163666   2.1140650455   0.7343592015
H    3.7533117833   2.3559187443  -0.0404528710
H   -0.2049528362   2.0324263603   1.1983610270
H   -3.9474395741  -0.8646205816  -0.1968286138
H    3.7887278298  -0.6882256883  -1.7682798726
H    1.6621210946   4.5563797086   0.4439079414
H    3.1227252399   4.3090037894   1.3914536415
H    3.2434753989   4.8022690901  -0.2931228109
H    2.4001128544  -1.2743319518   2.1756028202
H   -2.4818085515   2.9363020455   1.1001492790
H    5.7415807426  -1.8184320474  -0.2582901120
*