! 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  -4.4605526322   1.8516711915   0.9732121589
F   -2.0701685297  -1.1640214238  -2.4402201040
F    0.0356582556  -0.9061491967  -2.1329604451
F   -1.0035322044  -2.5139861512  -1.1560537011
O    1.3928339704   1.9009417379   0.6390911011
N    2.9195805331  -1.4409507713   0.6826089537
N    0.7208942953  -0.9312955029   0.6101061119
N    4.9286401120  -2.3454936205   0.7971258805
C    1.8950538137  -0.4847687529   0.6988759904
C    2.3821610226   0.9487012451   0.8243451751
C    1.1268402819   2.2280765231  -0.7140338774
C   -0.4631570899  -0.2248384068   0.6952002065
C   -0.0471701597   3.1815143488  -0.7651614193
C   -1.4047376402  -0.3485677909  -0.3354533268
C   -0.8156020969   0.4988743728   1.8344586493
C   -2.6306787104   0.3007107201  -0.2532065205
C    2.7451802843  -2.8043658770   0.5580758528
C   -0.4362104826   3.5099435946  -2.1978030343
C    4.2655396562  -1.2329108656   0.8246810063
C   -1.1081333537  -1.2282538016  -1.5129036590
C   -2.0413816863   1.1254027843   1.9299890629
C   -2.9361892292   1.0394198614   0.8742100084
C    3.9897610323  -3.3344847672   0.6278762270
H    3.2153815822   1.0967489395   0.1254520929
H    2.7898631271   1.0763426215   1.8325832429
H    0.9051023823   1.3297821807  -1.3014853198
H    2.0153623695   2.6889564833  -1.1666862450
H   -0.9001594478   2.7335238626  -0.2496426159
H    0.2031062355   4.0988024316  -0.2254825860
H   -0.1214535229   0.5643900370   2.6613863521
H   -3.3525823704   0.2273539873  -1.0543009294
H    1.7747216462  -3.2485403067   0.4255748465
H    0.3900400465   3.9619661619  -2.7498158806
H   -0.7470647743   2.6155059074  -2.7414670265
H   -1.2694676152   4.2124524586  -2.2242915276
H    4.7007255922  -0.2548050396   0.9510229635
H   -2.2896705815   1.6886421893   2.8193681456
H    4.2692863546  -4.3742970174   0.5642121247
*