! 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  -1.5851147985  -0.0492812420  -2.2455389223
Cl  -2.9561172000   3.4806616914   1.5185740104
F    3.7241912056   0.3235214336   1.2539215985
F    4.3455192810  -0.9203329080  -0.3952437651
F    5.1507468993   1.6586856228  -0.6147740737
F    3.0814798810   2.3502777511  -0.5079669030
O    2.2247243930  -0.2215629319  -0.3098909344
N   -1.8386232567  -2.7933608978   0.1496888775
N   -2.8285738919  -2.2102014614   0.8276545117
N   -3.6301577120  -3.2606331047  -0.9797708263
C    0.1929709338  -1.4088938227  -0.0819131673
C   -0.4591826018  -2.6469900821   0.5465117939
C    1.6519817892  -1.3609804637   0.3386074439
C   -0.5630348886  -0.1541134401   0.2784263004
C   -1.3992898628   0.5089905876  -0.6136157012
C   -0.4996472223   0.3528928396   1.5736502252
C    3.4981070847   0.0875485361  -0.0619340757
C   -2.1351494373   1.6273935813  -0.2491791502
C   -1.2201534454   1.4632858493   1.9722971780
C   -2.3295192334  -3.4115080980  -0.9274037437
C   -2.0365706175   2.0938653534   1.0481243872
C    3.8701908982   1.3205066639  -0.8846189624
C   -3.8822930732  -2.5176437266   0.1158536104
H    0.1795531002  -1.5481879546  -1.1643364610
H    0.0770744368  -3.5446114983   0.2384298395
H   -0.4297201072  -2.6024438129   1.6349778790
H    1.7579016300  -1.2859268650   1.4232096282
H    2.1525463303  -2.2762432077   0.0139996077
H    0.1236426920  -0.1375758870   2.3111614666
H   -2.7764187860   2.1193002376  -0.9672584949
H   -1.1465965538   1.8251203436   2.9882497483
H   -1.7105011417  -3.9518337317  -1.6268316499
H    3.7569636020   1.1451126987  -1.9552187120
H   -4.8731147521  -2.1997339968   0.4012516657
*