! 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  -4.7695172883   1.5913178935   0.7080006333
F    0.2447255159  -0.5780710875  -1.9615073562
F   -0.7304529199  -2.3813588339  -1.3211672492
F   -1.7658252510  -0.9904030619  -2.5884740448
O    0.9482238457   1.6552887208   0.3188963956
N    2.7245330583  -1.4673683232   0.8084528823
N    0.5083205805  -1.0273073594   0.9168052154
N    4.7749143649  -2.2793564219   0.7925528978
C    1.6567817555  -0.5667295623   0.6964610073
C    2.0619629076   0.8315854390   0.3041372449
C    1.2386724488   3.0357804364   0.2094483831
C   -0.6963553601  -0.3478421044   0.8348406002
C    1.6598970235   3.4750319190  -1.1825297618
C   -1.4598066035  -0.3741458791  -0.3370220569
C   -1.2372415011   0.2469961160   1.9724664974
C   -2.7109104214   0.2283894378  -0.3746813702
C    2.6155031503  -2.8136505315   1.0881818306
C    0.6221425789   3.1725372816  -2.2519440780
C    4.0580108305  -1.2109064616   0.6398173837
C   -0.9319098197  -1.0768538055  -1.5480260570
C   -2.4816464455   0.8437778047   1.9395725239
C   -3.2094946359   0.8394693708   0.7597101873
C    3.8849297840  -3.2872978668   1.0737766452
H    2.5489309135   0.7831848485  -0.6800367077
H    2.8268146766   1.1788548700   1.0141237908
H    2.0077050795   3.3190508090   0.9411485799
H    0.3173948620   3.5485714747   0.4946596550
H    1.8372280487   4.5530955939  -1.1323130422
H    2.6224470690   3.0300648986  -1.4522602914
H   -0.6684038310   0.2440566200   2.8925251255
H   -3.3011345339   0.2230188564  -1.2801731357
H    1.6677490161  -3.2904102517   1.2639794100
H    0.9426172876   3.5451570791  -3.2256159573
H    0.4428229274   2.1026717193  -2.3538300733
H   -0.3349913249   3.6438580027  -2.0190906331
H    4.4427355224  -0.2306485634   0.4087103753
H   -2.8782318522   1.3100798525   2.8313914556
H    4.2110996114  -4.3003928098   1.2487408366
*