! 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  -1.3676537136   1.5858249640  -1.3905643980
Cl  -5.7979376555  -0.8203588598   0.6038905068
O    0.0278841828  -0.4129007791   0.2150058156
O    2.8341811834  -0.8590679289  -1.8645068955
N    2.5601732768   0.0537524067   0.2073160248
C    0.6821876009  -1.0295476003  -0.8942734419
C   -1.3234058172  -0.5133134719   0.2740144809
C    2.1403574444  -0.5860938538  -0.9009286783
C    0.6059660213  -2.5458785244  -0.8397611464
C   -3.5301516484   0.3193284808  -0.3793039375
C   -2.1348149697   0.3667708100  -0.4360156175
C   -1.9142858760  -1.4671023040   1.0868108330
C    3.8388482417   0.5216302606   0.5305235210
C   -4.0775576193  -0.6637881932   0.4457487761
C   -3.2907783552  -1.5403688050   1.1767639807
C   -4.3504684649   1.2913075811  -1.1667223340
C    3.9791748275   1.1250946709   1.7827150382
C    4.9530354621   0.4175596207  -0.3025893515
C    5.2056656980   1.6121133894   2.1978744858
C    6.1773377705   0.9114654695   0.1289773430
C    6.3174331809   1.5082286888   1.3722543444
H    0.2433183016  -0.6783135048  -1.8338724227
H    1.0539260082  -2.9376536982   0.0743102640
H    1.1329758378  -2.9727285895  -1.6918265012
H   -0.4270225966  -2.8887895576  -0.8981594705
H    1.8559734899   0.2170226627   0.9130183942
H   -1.2941378314  -2.1454887754   1.6577041291
H   -3.7495276117  -2.2841127260   1.8132637747
H   -5.4155399329   1.1074059520  -1.0636844090
H   -4.1083964074   1.2385809333  -2.2285722963
H   -4.1606762129   2.3155105868  -0.8422476216
H    3.1196883006   1.2111742998   2.4377497027
H    4.8819481086  -0.0394692293  -1.2757671490
H    5.2898010549   2.0742433303   3.1729121461
H    7.0334974412   0.8231772896  -0.5275265869
H    7.2779920260   1.8876607051   1.6945005138
*