! 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  -4.7286458559   1.8292533164  -0.3597031796
F    0.0394738729  -1.2858216900   1.6932920472
F   -2.0062082284  -1.8698663696   1.9796738402
F   -0.8534138139  -2.7475455313   0.3953044965
O    0.9437546395   1.5841966843   0.3058507575
N    2.7287980854  -1.2258485733  -1.1392688789
N    0.5157055847  -0.7462531820  -1.1615501162
N    4.7722684246  -2.0414965520  -1.2915937585
C    1.6565217866  -0.4118132934  -0.7538125640
C    2.0387185033   0.7509838157   0.1316976697
C    0.8191555548   2.1699867962   1.5869185021
C   -0.6836425494  -0.0977281072  -0.9160690042
C    1.8294845651   3.2729056685   1.8504624149
C   -1.5332647982  -0.5118841396   0.1154276288
C   -1.1328270962   0.8861376496  -1.7956319453
C   -2.7760787108   0.0860918517   0.2871468204
C    2.6464625071  -2.3425048683  -1.9451363334
C    1.5920539168   3.9262240163   3.2035447386
C    4.0434387935  -1.1010333529  -0.7790569406
C   -1.0932090996  -1.6003780410   1.0421218629
C   -2.3669771991   1.4804312120  -1.6289766289
C   -3.1814486891   1.0819329057  -0.5797361287
C    3.9114867275  -2.8207961281  -2.0262962663
H    2.8802258517   1.2826142295  -0.3288810230
H    2.4080200287   0.3398192453   1.0813129642
H    0.8899915231   1.4005757977   2.3672697045
H   -0.1951035694   2.5740018049   1.6256640987
H    2.8456555089   2.8684505721   1.8162404440
H    1.7606398881   4.0221264479   1.0571749428
H   -0.4970511300   1.1931785030  -2.6151397742
H   -3.4305426211  -0.2188724550   1.0914472026
H    1.7173284334  -2.6770596309  -2.3709447353
H    0.6031036035   4.3850084387   3.2585085911
H    1.6654350935   3.2024800637   4.0175628106
H    2.3264278896   4.7085192272   3.3960244657
H    4.4055198048  -0.3103931182  -0.1415373893
H   -2.6880911582   2.2526147234  -2.3149079005
H    4.2550008565  -3.6860047742  -2.5710223890
*