! 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  -3.1663268769  -2.9093071731  -1.3367987720
F    6.1339623947   0.3565084852   0.1676485243
F    4.6463966824  -1.0038544069   0.8983534523
F    5.1463725798  -0.9657306044  -1.1987615591
F   -5.5284248008   1.6862472392  -0.5664414485
F   -5.3355395013   1.7537911326   1.5747041854
F   -4.0329093705   2.9381066131   0.3450251592
O    2.3379201538  -1.7881940520  -0.7210776852
N    1.1927211279  -0.9559582399   1.0423493651
N   -1.6065111036  -0.2888079359   1.1613226178
C   -0.7187907126  -2.4335914282   0.4288337217
C    0.4527481958  -2.1557702942   1.3592005605
C   -1.7766134986  -1.3714075477   0.4121698891
C    2.5336439683   0.5382724361  -0.2439217363
C    2.0280721736  -0.8547007853   0.0037555651
C    3.8928046770   0.8470361291  -0.3518810211
C   -2.9238529966  -1.4978217464  -0.3755691532
C   -3.6588669421   0.6252840163   0.3837507743
C   -3.8772515829  -0.4999794390  -0.3943650304
C    1.5938606979   1.5447967327  -0.4347752826
C    4.2830751051   2.1451330757  -0.6544239604
C   -2.5065600082   0.6800975876   1.1525141901
C    4.9499364422  -0.1953315806  -0.1243986474
C    1.9877952363   2.8377721668  -0.7448155193
C    3.3342463884   3.1367427934  -0.8567708083
C   -4.6420776682   1.7501876811   0.4291952388
H   -0.3545797235  -2.5936125159  -0.5899910607
H   -1.1682903853  -3.3855884666   0.7268356364
H    0.1088503120  -2.0614875275   2.3876838474
H    1.1249382610  -3.0136961479   1.3303844771
H    0.9496234587  -0.1232184596   1.5533269298
H   -4.7611958261  -0.6075570028  -1.0081580961
H    0.5379119304   1.3153401949  -0.3612215693
H    5.3299416742   2.4040383015  -0.7306622950
H   -2.2925727705   1.5326279172   1.7871949362
H    1.2409929092   3.6052401367  -0.8985221381
H    3.6545118321   4.1421319325  -1.0942112224
*