! 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  -1.6582292275   0.7018522673  -3.0693844873
Cl  -3.2942202025   3.4256552255   1.2291994908
F    2.8242220790  -0.2299862276   1.7893407502
F    4.0459837692  -1.0695973662   0.2233639507
F    4.2838994583   1.4286372928  -0.9325205997
F    4.9599831762   1.3033325794   1.1396348084
O    2.1140174159  -0.0939259566  -0.3244070217
N   -1.4518168445  -2.6689241264  -0.1563304254
N   -2.6580572981  -2.1962640194   0.1628385343
N   -1.9330296924  -3.6120256762   1.7379823176
C    0.0742124639  -0.9701170597  -1.1699397759
C   -0.7757472443  -2.2365915163  -1.3565676903
C    1.3421196335  -1.2984001794  -0.4013615142
C   -0.7373810403   0.1517782101  -0.5706613383
C   -1.5695307620   0.9484019792  -1.3538258488
C   -0.7369838837   0.4077845933   0.7975925792
C    3.1736187996  -0.0671470213   0.4865520530
C   -2.3590089434   1.9545985565  -0.8199468816
C   -1.5133477011   1.4024930713   1.3648788237
C   -1.0313260253  -3.5121414976   0.7924861725
C   -2.3202803233   2.1717195335   0.5455415938
C    3.8687311841   1.2861095630   0.3445957916
C   -2.9068896861  -2.7881834175   1.3022162502
H    0.3869838997  -0.6855654341  -2.1777786965
H   -1.5371333756  -2.0652331336  -2.1143306883
H   -0.1496817796  -3.0551857177  -1.7130256614
H    1.1330351312  -1.6882872712   0.5976525020
H    1.8982306591  -2.0627926432  -0.9479740420
H   -0.1204172776  -0.1811169251   1.4627683874
H   -2.9904492288   2.5544388691  -1.4601934152
H   -1.4838632037   1.5708997995   2.4323143991
H   -0.0861444738  -4.0315539528   0.7445653645
H    3.2092598117   2.1130633129   0.6096408136
H   -3.8283464257  -2.6232860123   1.8388941529
*