! 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   2.9797732505  -1.0155707550  -2.2597439696
O   -3.3243958673   1.5843230839   1.1486306249
O    0.5530822478  -0.3876005221   1.6579208719
N    0.2442415413  -0.4775054771  -0.5749224496
N    4.4862040680   0.1960473986  -0.4574272732
N    4.5076314249   0.7285614306   0.7672120645
C   -4.2650610429   0.5922281139   0.7389091361
C   -3.4191004013  -0.4257946030   0.0255163652
C   -1.9801739016   1.2602638153   0.8080614253
C   -2.0899361238  -0.0449845717   0.0735758056
C   -5.2897923888   1.2311377726  -0.1911713775
C   -4.9441901223  -0.0010488398   1.9682567283
C   -1.1223884521  -0.8310508408  -0.5425131041
C   -3.8247855863  -1.5772663683  -0.6262628318
C   -1.3677109838   2.3882115107  -0.0037758125
C   -1.5223828776  -1.9907739947  -1.2013776007
C   -2.8596671964  -2.3592033376  -1.2465861269
C    1.0118737333  -0.3146806532   0.5289836567
C    2.4338655779  -0.0139599853   0.3104786225
C    3.2912371898   0.6060030523   1.2536402537
C    3.2685342463  -0.2533261315  -0.7663963211
C    2.9731992544   1.1050231552   2.6172066824
C    5.6792593959   0.1582812967  -1.2707678812
H   -1.4025250280   1.1315901871   1.7301873932
H   -6.0117155210   0.4920424393  -0.5414350939
H   -4.8107167073   1.6719097404  -1.0666507064
H   -5.8470925848   2.0155938991   0.3244453666
H   -5.4938729855   0.7666509249   2.5165375140
H   -4.2172618619  -0.4505225462   2.6464934690
H   -5.6574904127  -0.7753722561   1.6817172858
H   -4.8682863822  -1.8660913153  -0.6623030199
H   -0.3215828210   2.1861723344  -0.2330000792
H   -1.8977926693   2.5339709566  -0.9463327060
H   -1.4010384178   3.3228781338   0.5578065583
H   -0.7756672803  -2.6126757924  -1.6796287514
H   -3.1449429507  -3.2663630990  -1.7628019360
H    0.6717275926  -0.4400603331  -1.4870228377
H    2.1243436477   1.7883084412   2.6093562576
H    2.7240088630   0.2884424039   3.2940532029
H    3.8330609649   1.6347458351   3.0249527097
H    5.5321047225   0.7013845298  -2.2024151077
H    6.4748226266   0.6354386692  -0.7080097111
H    5.9700313028  -0.8672006050  -1.4914834417
*