! 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  -0.9196054864   1.1345177501   3.1163601604
F    5.5669312259  -0.5617334587   0.0428423942
O   -0.4225765493   1.1340383165  -1.2232491500
N   -0.4193617262  -1.9219143749  -1.5034571809
N   -1.0042858959  -1.6630614875  -2.6743968331
N    0.5391719137  -3.2690883248  -2.9058084862
C    0.0352529233   0.1508437717  -0.3193401864
C   -0.5971240662   1.3918856786   0.1534091313
C   -0.7385677801  -1.1492671751  -0.3279072336
C    1.5161556002  -0.0051097548  -0.2254892309
C   -1.9932619208   1.4370735275   0.6582747729
C    2.0887783871  -0.4487687777   0.9628554008
C    2.3314437382   0.2427971564  -1.3229184887
C   -2.2496288375   1.3505971798   2.0226547768
C   -3.0741332539   1.5820571121  -0.2047179589
C    3.4575074168  -0.6381274444   1.0637055550
C    3.7039696350   0.0567313110  -1.2392199152
C    0.5047481376  -2.8736002786  -1.6566558915
C   -3.5362782935   1.4151105369   2.5297688050
C   -4.3692653146   1.6460431781   0.2865574693
C    4.2408903785  -0.3802191398  -0.0452198284
C   -4.5997521618   1.5655140547   1.6518930216
C   -0.4017591487  -2.4961737745  -3.4830611227
H    0.0681363679   2.1522971312   0.5610584187
H   -1.8145396502  -0.9842830533  -0.3124847154
H   -0.4849018061  -1.7405858192   0.5515280637
H    1.4686394544  -0.6429654472   1.8294603163
H    1.9041817784   0.5834844530  -2.2569098715
H   -2.8993914809   1.6454527869  -1.2706157566
H    3.9057362621  -0.9762325947   1.9886940080
H    4.3423353165   0.2468845296  -2.0920054695
H    1.1074896320  -3.2457242201  -0.8427299174
H   -3.7087165689   1.3432397233   3.5951229562
H   -5.1981173836   1.7605399433  -0.3990459800
H   -5.6079469945   1.6156980238   2.0408677054
H   -0.6524583656  -2.5528852009  -4.5311666719
*