! 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  -4.8496217536   1.7455827859   0.4131867859
F   -0.3414623916  -1.5592198630  -1.8435865618
F   -1.1115475711  -2.9554710946  -0.3995672680
F   -2.4039938049  -2.1550758079  -1.9153258362
O    2.4287714360   1.6292529760   0.1026470007
N    2.6329205590  -1.1962770461   0.6791242733
N    0.3941397832  -0.9033749317   0.9273806926
N    3.9245259311  -2.7656338697   1.5337939818
C    1.4629126912  -0.4896440851   0.3995841171
C    1.6013842308   0.6909905548  -0.5267523725
C    2.7891061890   2.7236093623  -0.7224543441
C   -0.8222126353  -0.2521754664   0.7573859742
C    1.6769431350   3.7416439839  -0.9123780905
C   -1.7616632672  -0.7029693285  -0.1771025213
C   -1.1560574764   0.8189829438   1.5820576514
C   -2.9997691645  -0.0845066033  -0.2828755676
C    3.9028173697  -0.9771680497   0.1800438941
C    2.1602502802   4.9265104462  -1.7356326513
C    2.7191549711  -2.2949011416   1.4928261810
C   -1.4102463886  -1.8448609052  -1.0802139339
C   -2.3895144370   1.4359976557   1.4809681418
C   -3.3047247799   0.9794460474   0.5472656137
C    4.6739133365  -1.9518741355   0.7179360339
H    0.6068183721   1.0911656745  -0.7435632428
H    2.0210393374   0.3519157401  -1.4844997188
H    3.1401792434   2.3618011871  -1.6989127330
H    3.6417602928   3.1961967376  -0.2295500755
H    0.8167770870   3.2847522638  -1.4100672005
H    1.3315934546   4.0832930097   0.0670217610
H   -0.4427130088   1.1644354034   2.3185050379
H   -3.7274069301  -0.4208947158  -1.0081073686
H    4.1495338269  -0.1763119535  -0.4931654171
H    1.3680786485   5.6640297578  -1.8652035662
H    3.0020041360   5.4304720936  -1.2568160376
H    2.4844036968   4.6176343406  -2.7313043849
H    1.8607119476  -2.6879631494   2.0122119323
H   -2.6286150098   2.2682539156   2.1289509933
H    5.7291565932  -2.1141093337   0.5651782035
*