! 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  -1.6889350599  -3.0555231796   1.6771372005
F    3.1771064675  -0.5074439272   1.6799777282
F    2.1501819557   1.3202149236   2.1355681617
F    1.1866066183  -0.1724073508   0.9305442603
F   -4.6272043635   2.0234037140  -0.1867068429
F   -4.5787972692   1.3014157151   1.8410092511
F   -3.0598234704   2.6533369987   1.1389610832
O    2.8347779832  -1.9689544614  -0.9610297612
N    1.1655718434  -1.0226491770  -2.1627866811
N   -1.5460338892  -0.4828569460  -1.3064200949
C   -0.3950889028  -2.6092793094  -1.0629658859
C    0.3652368736  -2.2167597181  -2.3224819467
C   -1.3218231363  -1.5488954455  -0.5483702757
C    2.8789394912   0.3888946622  -1.2973648701
C    2.2910600980  -0.9870828177  -1.4417116850
C    2.9339240476   1.0529895307  -0.0693680972
C   -1.9445675819  -1.6592238460   0.6972868577
C   -2.9737953839   0.4488566293   0.3492203216
C   -2.7735195952  -0.6568003616   1.1597698612
C    3.4117767233   0.9987171963  -2.4254103201
C    3.5206923788   2.3089961853   0.0115186562
C   -2.3405854937   0.4849147401  -0.8836226088
C    2.3646058867   0.4231577940   1.1678554490
C    4.0074101034   2.2485818035  -2.3382696650
C    4.0596739254   2.9038019787  -1.1198144592
C   -3.8146983584   1.6032738306   0.7893422287
H   -0.9700002705  -3.5168268513  -1.2733438458
H    0.3114454863  -2.8893337343  -0.2789975860
H    1.0059320484  -3.0479294536  -2.6166056350
H   -0.3213830707  -2.0386171108  -3.1474895775
H    0.7291992256  -0.1495427914  -2.4107211347
H   -3.2448723645  -0.7468197044   2.1291146146
H    3.3722331386   0.4882980427  -3.3792299406
H    3.5607776850   2.8411068681   0.9517625159
H   -2.4719298307   1.3221765205  -1.5594751776
H    4.4247210447   2.7083816078  -3.2241542226
H    4.5138465860   3.8824315909  -1.0438234925
*