! 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  -0.9325016667   1.6924862867  -0.5952218927
Cl  -5.8213085998  -0.5169159721   0.2058090745
O    0.0147359496  -0.9475045011   0.1911839341
O    2.7934124235  -0.7132996532  -1.9851432798
N    2.4407770922  -0.0748958789   0.1755736858
C    0.6643632367  -1.1851843800  -1.0590501040
C   -1.3375903395  -0.8431178775   0.1639537611
C    2.0815770686  -0.6237077895  -1.0003941414
C    0.6911465360  -2.6671959646  -1.3859743193
C   -3.3376054663   0.5174511525  -0.2061202722
C   -1.9504698671   0.3551010383  -0.1916341799
C   -2.1252704671  -1.9201788501   0.5342339974
C    3.6715403461   0.4640702983   0.5661531375
C   -4.0889251403  -0.5965824520   0.1720434277
C   -3.5014776916  -1.7958378981   0.5434852187
C   -3.9408657384   1.8274640683  -0.6038800239
C    3.7581289179   0.9156810326   1.8854640519
C    4.7888951518   0.5680506213  -0.2626343379
C    4.9351051869   1.4568848880   2.3704886648
C    5.9636451126   1.1131386933   0.2396909363
C    6.0503452759   1.5591565176   1.5492602585
H    0.1484839587  -0.6471393283  -1.8619526608
H    1.1741017426  -2.8339863311  -2.3470788012
H   -0.3229903561  -3.0600307194  -1.4620514609
H    1.2272061903  -3.2338596429  -0.6238864199
H    1.7260496593  -0.0708846903   0.8890940847
H   -1.6595878237  -2.8508440712   0.8304676952
H   -4.1153179351  -2.6361113333   0.8365873633
H   -5.0260381561   1.7924161390  -0.6148330252
H   -3.6114617197   2.1232429180  -1.6004514992
H   -3.6440354116   2.6204281666   0.0840098541
H    2.8958377886   0.8380431504   2.5379089400
H    4.7578553529   0.2325134494  -1.2861798561
H    4.9782821530   1.7980052911   3.3966979553
H    6.8236614952   1.1867013612  -0.4136120666
H    6.9727525045   1.9805551886   1.9262759417
*