! 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   5.3264286696   2.4736550631  -0.0583324805
O   -2.4900254211  -0.8083349833   1.9176087902
N   -1.2075522497  -2.5115324514  -0.1549361993
N   -0.8368314201  -2.9288214746   1.0588818676
N    0.5202038854  -3.7820381482  -0.4938935204
C   -2.3270469167  -0.4018068473   0.5699707032
C   -3.5654279158   0.5085904563   0.2698953012
C   -0.9586934744   0.3148514899   0.4672531171
C   -2.3643011494  -1.6540989796  -0.3325500736
C   -4.8599415573  -0.3180036933   0.2826353890
C   -3.7002151552   1.5938123096   1.3458349053
C   -3.4720713897   1.2119316310  -1.0869247460
C   -0.3242447523   0.5700929017  -0.9075173198
C    1.0922811796   1.0459423048  -0.7382191143
C   -0.3921152826  -3.0331690105  -1.0712512914
C    2.1416357250   0.1392785070  -0.6092707741
C    1.3838909290   2.4042402588  -0.6515517676
C    0.2057855156  -3.6822723512   0.8095855779
C    3.4440033029   0.5668945258  -0.4012149957
C    2.6798407794   2.8531642316  -0.4429973145
C    3.7017622803   1.9261445431  -0.3181779007
H   -0.2448252757  -0.2833597248   1.0418482138
H   -1.0181668276   1.2640238691   1.0050804259
H   -3.2501925673  -2.2476235231  -0.1084719704
H   -2.4045591862  -1.3962465478  -1.3895693050
H   -5.7212972947   0.3524017195   0.2517841839
H   -4.9563370254  -0.9268068546   1.1821647963
H   -4.9510614539  -0.9755379966  -0.5840928925
H   -2.8069401200   2.2144289558   1.4355638506
H   -3.9240212062   1.1832820868   2.3297015275
H   -4.5213080298   2.2637522524   1.0811701794
H   -3.2374300180   0.5371694654  -1.9124527874
H   -4.4339049048   1.6720270004  -1.3234872752
H   -2.7366577090   2.0162459895  -1.0887676076
H   -0.8822228711   1.3134342991  -1.4734093186
H   -0.3227173179  -0.3353328499  -1.5165725399
H   -1.8621495404  -1.5242101863   2.0971570852
H   -0.4975263551  -2.8482000380  -2.1291247332
H    1.9494128256  -0.9255891167  -0.6761134872
H    0.5878738097   3.1328356228  -0.7508018610
H    0.7537466999  -4.1773426031   1.5959235719
H    4.2454373928  -0.1535301635  -0.3070080061
H    2.8860860477   3.9132960794  -0.3806875477
*