! 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  -0.4279296829   0.5002235021  -2.1441690941
Cl  -3.4158985363   3.4547659593   1.1507548009
F    4.0528621173   0.0909239692   1.1381255522
F    3.7676308054  -0.8479178131  -0.7841120955
F    2.9461426416   1.5546502751  -1.8532001803
F    4.9316528913   1.5815284502  -0.9461812155
O    2.0106486025   0.0800416828   0.2361489068
N   -1.7598367903  -2.9479377441   0.3988779871
N   -2.8526839127  -2.8012619740   1.1484650916
N   -3.4046376526  -3.4643011523  -0.9164266367
C    0.1188259768  -1.3580790148   0.2906033423
C   -0.4424525787  -2.6406512367   0.9066316880
C    1.4977792626  -1.0928078823   0.8783349973
C   -0.7864239776  -0.1648217212   0.4741591575
C   -1.0715788155   0.7322422123  -0.5525086475
C   -1.3464109052   0.1068764343   1.7206190532
C    3.3184587326   0.1665458156  -0.0025364932
C   -1.8778129433   1.8452665130  -0.3584604172
C   -2.1526220093   1.2073639764   1.9477830107
C   -2.1022072947  -3.3400443118  -0.8296771305
C   -2.4118498346   2.0706506937   0.8967943350
C    3.6088016312   1.5058935868  -0.6788728137
C   -3.8130810843  -3.1267035438   0.3215286370
H    0.2577401812  -1.5495090757  -0.7750639257
H    0.2253189543  -3.4723464602   0.6803784277
H   -0.5230430941  -2.5805221904   1.9902384937
H    1.4404235923  -0.9131406343   1.9546986992
H    2.1411590551  -1.9592384721   0.7117478642
H   -1.1505055381  -0.5559553494   2.5536238194
H   -2.0804087216   2.5235112221  -1.1754194033
H   -2.5704365136   1.3831228191   2.9290832071
H   -1.3830038457  -3.5257246571  -1.6119930609
H    3.3142879895   2.3500252917  -0.0564830695
H   -4.8493694796  -3.1172928117   0.6209231085
*