! 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  -0.7735404994   1.3061985826  -2.6005117938
Cl  -4.3979376412   4.5659830803  -0.4159734004
F    3.4099977777   0.4556212875   0.0374688624
F    2.9374043041  -0.4470818521   1.9399321877
F    4.9083655177  -1.7146114176   0.5588322218
F    3.5423716985  -2.0769622399  -1.1075642142
O    1.5633778168  -0.7852201315   0.2100253311
N   -0.5249285730  -2.4998802281   0.9820864146
N   -0.4895402201  -3.2473410323  -0.1201658288
N    0.9026684363  -4.0686074073   1.4269488048
C   -0.7549430067  -0.2256432015   0.0523707990
C   -1.2926876604  -1.2775500134   1.0273315429
C    0.6331173970   0.2850407919   0.4256512048
C   -1.6802927075   0.9633087585  -0.0592211944
C   -1.7476297477   1.7219712820  -1.2294369884
C   -2.4810546401   1.3793143856   1.0013246695
C    2.8294530169  -0.6323098717   0.5970778731
C   -2.5737424638   2.8270135677  -1.3530405601
C   -3.3185621156   2.4792261074   0.9100582213
C    0.3106558582  -2.9941638284   1.8945598282
C   -3.3584529263   3.1941648785  -0.2735170635
C    3.6102133376  -1.8943914765   0.2297508442
C    0.3769342432  -4.1770830926   0.1906015293
H   -0.6932166497  -0.7006256383  -0.9303147967
H   -1.2663219550  -0.9285365864   2.0593778890
H   -2.3284992093  -1.5142388447   0.7832463985
H    0.9044503208   1.1374637621  -0.1997549528
H    0.6461785713   0.6140231170   1.4686200836
H   -2.4667777864   0.8377313707   1.9376495629
H   -2.6025746690   3.3880341520  -2.2768345298
H   -3.9293757270   2.7680422158   1.7541501737
H    0.4549054149  -2.5513856628   2.8679455464
H    3.2247617035  -2.7793703724   0.7386654666
H    0.6346615403  -4.9687913681  -0.4959926952
*