! 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  -1.9300429396  -0.1189779700  -2.4240366482
Cl  -4.7051463082   3.3403505369   0.5483285051
F    4.1182171866   1.2382346463   0.5223192830
F    3.5040914599  -0.5014867010   1.6430436613
F    5.8851730354  -0.8143695995   0.3867661995
F    4.9631980586  -0.3805114192  -1.5453841465
O    2.5455283427  -0.0956918388  -0.3316021063
N   -0.9625081733  -2.2273545983   0.6111261983
N   -2.1945734915  -1.9499160028   1.0398077672
N   -2.1881771471  -3.8470377086  -0.1492754510
C    0.1654908485  -0.1553252844  -0.1145440348
C    0.1479472561  -1.3403273727   0.8577169071
C    1.4169041135   0.6930175440   0.0802237335
C   -1.0643321957   0.7067176674   0.0243702250
C   -2.0482019988   0.7959212348  -0.9563754415
C   -1.2635835811   1.4520253513   1.1845959090
C    3.6730595643  -0.0324601094   0.3775658489
C   -3.1689319087   1.5997123628  -0.8082919974
C   -2.3695857246   2.2622056452   1.3651518477
C   -0.9733268110  -3.3580322708  -0.0993250289
C   -3.3156089374   2.3307602316   0.3562228814
C    4.7335984432  -0.8880796330  -0.3148089850
C   -2.8946075649  -2.9466436738   0.5620787930
H    0.2092158176  -0.5593424134  -1.1276899109
H    1.0573122500  -1.9287836039   0.7463985269
H    0.0977333820  -1.0057086041   1.8941174371
H    1.3714243914   1.5807092626  -0.5517578032
H    1.5181902907   1.0220359527   1.1166244101
H   -0.5388319524   1.3979887871   1.9875018273
H   -3.9140517411   1.6493225076  -1.5899631099
H   -2.4893638627   2.8266049451   2.2793498813
H   -0.0853734790  -3.7798384394  -0.5445207236
H    4.4246531959  -1.9305866937  -0.4016016168
H   -3.9559682119  -3.0313632799   0.7374085528
*