! 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  -1.6265354233   0.3811124957  -2.8078369675
Cl  -1.5165127632   4.9377726122  -0.0191788554
F    3.3066619039  -1.0298089525  -0.6792267072
F    2.1576742999   0.7930193825  -0.7956349400
F    2.3751405367   1.1457209899   1.9119819968
F    4.2900893309   0.9375681123   0.8817446925
O    1.3660129407  -0.9128595851   0.4117430355
N   -1.3770956975  -3.1809659452   0.9991308939
N   -2.1826103425  -3.7957171729   0.1323888836
N   -0.9348836067  -5.2907371181   1.2357850620
C   -0.9516691952  -1.0696237250  -0.1812841034
C   -1.3746541446  -1.7422931659   1.1278454080
C    0.4727747728  -1.4270684895  -0.5855466233
C   -1.1231455630   0.4283018729  -0.1341523103
C   -1.4134885577   1.1709771220  -1.2782418698
C   -0.9410941947   1.1464009040   1.0447435877
C    2.4525363372  -0.2428036226   0.0261079628
C   -1.5389009711   2.5507858856  -1.2593717551
C   -1.0599171745   2.5246441505   1.0995177399
C   -0.6386278434  -4.0820281432   1.6500955780
C   -1.3599903911   3.2166583145  -0.0597788354
C    3.1796342913   0.2712025504   1.2682013758
C   -1.8855798138  -5.0577678883   0.3111935285
H   -1.5979600461  -1.4747758342  -0.9639524090
H   -0.7095438396  -1.5051074951   1.9564691233
H   -2.3765201978  -1.4157581053   1.4073869546
H    0.6089771576  -2.5087642912  -0.6439049845
H    0.6881445108  -1.0238432847  -1.5757737493
H   -0.7076501932   0.6289297144   1.9643120651
H   -1.7710192434   3.0929056753  -2.1653929473
H   -0.9139031853   3.0445988641   2.0359429438
H    0.0854176749  -3.8142729284   2.4036848436
H    3.4567879559  -0.5367841029   1.9462226573
H   -2.3712729556  -5.8412797675  -0.2496687016
*