! 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  -5.1730733585   1.4909917807  -0.0959066348
F   -0.5951055066  -2.1313373040   1.4414603317
F   -2.5855519643  -2.8230823884   1.0274168510
F   -1.0743272563  -2.9406692371  -0.4922724012
O    2.2373693802   1.5279481659   1.3943737492
N    2.5794736178  -0.6685321265  -0.4345164440
N    0.3481514036  -0.4611043354  -0.7919442817
N    4.1121993158  -1.5379574851  -1.7595627114
C    1.3231172123  -0.2084563047  -0.0317690844
C    1.2729915720   0.5274300847   1.2920372006
C    2.0085652838   2.6415085253   0.5493757032
C   -0.9381426574   0.0117343017  -0.5610497289
C    3.1491814199   3.6227022832   0.7035647439
C   -1.9168748474  -0.8031996312   0.0198244206
C   -1.3009707737   1.2811608103  -1.0046110002
C   -3.2186673370  -0.3437298519   0.1640866017
C    3.7368730357  -0.7676846372   0.3140217660
C    4.4944150652   3.0686712638   0.2592136392
C    2.8785190707  -1.1523068669  -1.6799558309
C   -1.5471268844  -2.1747245666   0.4953218343
C   -2.5967296457   1.7426578763  -0.8617785724
C   -3.5491169766   0.9256959172  -0.2758069939
C    4.6577886261  -1.3080775498  -0.5195108334
H    1.4547689572  -0.1895734452   2.0976561862
H    0.2597889756   0.9176284294   1.4412699392
H    1.0553007622   3.1199954321   0.8096586247
H    1.9371773038   2.3284356292  -0.5023891898
H    2.8969173884   4.5037435560   0.1081929425
H    3.2009198973   3.9611626885   1.7421475403
H   -0.5595296775   1.9112225619  -1.4781640165
H   -3.9784597619  -0.9645218725   0.6177487518
H    3.8087514395  -0.4700637041   1.3440083927
H    5.2685744789   3.8346965754   0.3196225939
H    4.8164705457   2.2302451641   0.8764300785
H    4.4578643527   2.7197037181  -0.7747022409
H    2.1450076256  -1.1830059543  -2.4687498625
H   -2.8551496336   2.7334383453  -1.2098849069
H    5.6861472804  -1.5447787000  -0.2965300165
*