! 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  -2.7364373051  -2.8530221427   0.3373411580
Cl  -5.2138514186  -1.3559094561   0.4191647584
F    2.5985070823  -0.6955374369   2.7128796845
F    3.4457758536   1.2749226408   2.3389766306
O    1.3167508811   0.2740825253  -1.7797275480
N    1.1806671038   1.0255535909   0.3499020720
N    4.9714392976  -1.3037836672  -0.8073555487
N    5.0201040428  -1.0615400320   0.4941745158
C   -1.5054218711  -0.1497070938  -1.0005861710
C   -3.4518231882   1.0301410727  -0.9335113548
C   -1.7757655396   0.1993614921  -2.4902638108
C   -3.1012544742   1.0014998806  -2.4439498814
C   -2.9322957075  -0.3285007757  -0.5372182167
C   -1.2001324335   1.1536567071  -0.2957630462
C   -2.4008697391   1.8753024440  -0.2564341208
C   -0.0542385994   1.6922416891   0.2687060276
C   -2.4934508943   3.1180223349   0.3316099703
C   -3.5410446794  -1.3655586551  -0.0002680004
C   -0.1495741881   2.9481864997   0.8811436058
C   -1.3437926980   3.6459443802   0.9154998348
C    1.8003456725   0.3733512201  -0.6639530272
C    3.1095519807  -0.2387032768  -0.3712553004
C    3.9065068359  -0.4230129785   0.7857756440
C    3.8547201957  -0.8363826178  -1.3689203886
C    3.6956058326  -0.0674274718   2.2100232837
C    6.0483214983  -2.0081827313  -1.4683523251
H   -0.8212029672  -0.9749171757  -0.8337692987
H   -4.4844816653   1.2747784559  -0.6992328135
H   -1.8909040646  -0.7169512669  -3.0702941410
H   -0.9501151134   0.7624723055  -2.9179826375
H   -3.0050546891   2.0092034531  -2.8481818011
H   -3.8912482320   0.4966011991  -3.0011406606
H   -3.4302823180   3.6594052894   0.3622876658
H    0.7306928493   3.3792035520   1.3432836967
H   -1.3782668996   4.6101579222   1.4055620714
H    1.7343571770   1.2724775928   1.1541467620
H    3.6557192547  -0.9465888955  -2.4225010113
H    4.5625679128  -0.3146879113   2.8230387802
H    5.6772741017  -2.9252684366  -1.9207018708
H    6.8017974563  -2.2555410691  -0.7275014300
H    6.4944804756  -1.3817945965  -2.2376479230
*