! 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   0.5921210151  -0.3447054870  -3.1023687580
Cl   3.7918375470  -2.3337740536   0.6949774188
O   -1.2377780678   2.0408284721   0.1191554886
N   -2.4118572682  -0.6380030808   0.2884133505
N   -2.2711526242  -2.3306668183   1.6934410294
C   -0.9694441720   1.0419781908  -0.8248237281
C   -2.2011895522   0.1377129735  -0.9083042019
C    0.2575128982   0.2310212245  -0.4679296327
C    1.0081246605  -0.4494002767  -1.4204640024
C    0.6338817763   0.0815359123   0.8640490509
C   -2.9094720168  -0.1928600526   1.4821760094
C   -2.0342667075  -1.9227966348   0.4760102316
C   -0.3459959925   3.1403387577   0.0697393524
C    2.0956396265  -1.2396016483  -1.0813003486
C    1.7135677468  -0.6991573732   1.2365849551
C    2.4377068497  -1.3541861948   0.2544651818
C   -2.8174025519  -1.2546636994   2.3337246338
C   -0.7099032948   4.0894581956   1.1607641519
C   -0.8805409328   5.3921798774   0.9816276403
H   -0.8419125264   1.4880748274  -1.8203454559
H   -3.0833569752   0.7457589207  -1.1104373349
H   -2.0883720655  -0.5499823751  -1.7456835176
H    0.0687139860   0.5873580587   1.6359351756
H   -3.2847992187   0.8071561213   1.6169148201
H   -1.6019756067  -2.5121579656  -0.3189997862
H    0.6909099829   2.8060056391   0.2100063462
H   -0.3935274022   3.6344625854  -0.9093169053
H    2.6606832816  -1.7541671176  -1.8460187268
H    1.9801111266  -0.7959532527   2.2798849801
H   -3.1213706889  -1.3006843626   3.3682764863
H   -0.7946557976   3.6637369352   2.1563629175
H   -1.0997512391   6.0517334655   1.8115015446
H   -0.8002115000   5.8534280432   0.0040405509
*