! 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  -4.4352920870   2.1068138254  -0.3250401059
F   -0.2051394664  -1.7092335505   1.6779178259
F   -2.2704773722  -2.2216764170   1.4061570972
F   -0.8304634301  -2.7445232630  -0.0974598980
O    1.1037530291   1.0572671093   1.3992525246
N    2.8919408224  -1.3434559347  -0.7246288416
N    0.7842961554  -0.5613546294  -0.9558831034
N    4.8422426230  -2.3702439768  -0.8064932887
C    1.8335481822  -0.5487683886  -0.2644694324
C    2.1167210037   0.1859634027   1.0308330101
C    1.2800978001   2.3854918319   0.9376575744
C   -0.4127013969   0.0898862267  -0.7181761314
C    0.1262601176   3.2349669043   1.4212908468
C   -1.4222266876  -0.4760825052   0.0727109106
C   -0.7033117544   1.2525061490  -1.4316769640
C   -2.6550689091   0.1506591452   0.1928193511
C    2.8808910669  -2.1172359615  -1.8668677621
C    0.2167109262   4.6508013829   0.8737858369
C    4.1086673942  -1.5437618347  -0.1301678156
C   -1.1848527040  -1.7825080950   0.7638571732
C   -1.9288720237   1.8793232736  -1.3119024918
C   -2.8969711558   1.3295118089  -0.4879314666
C    4.0879155812  -2.7313647049  -1.8965051623
H    3.0795700612   0.7029972232   0.9345371853
H    2.2443270711  -0.5588571338   1.8220153169
H    1.3378417881   2.4161686340  -0.1580763043
H    2.2303949438   2.7875957215   1.3141822617
H   -0.8162530842   2.7790489426   1.1086873846
H    0.1223581863   3.2565430804   2.5143288336
H    0.0450160988   1.6656892801  -2.0948696679
H   -3.4334617323  -0.2760835155   0.8095612667
H    2.0346828279  -2.1522346179  -2.5296414623
H    1.1437119485   5.1424886186   1.1753813673
H    0.1785658144   4.6608722393  -0.2174138119
H   -0.6094449772   5.2638308891   1.2343208533
H    4.3982694471  -1.0685344910   0.7934328673
H   -2.1240421994   2.7879450995  -1.8654007133
H    4.4592486812  -3.4180692576  -2.6409293868
*