! 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  -6.1811328471   0.9156383173   1.1208453617
O    2.7285727836   1.5119976512   0.4860886737
O    0.1606211817  -1.7264602041   0.5555279629
N    2.0950433608  -0.6215943758   0.1194371110
N    1.7933488632  -2.8496222258  -0.5503790268
N    2.2670945388  -4.2734516169  -2.1597251824
C    1.5941034390   0.6926204985   0.6230559767
C    3.5640661644  -0.5673669682  -0.1030966451
C    3.8604678823   0.7065549435   0.6900209326
C    0.4927091385   1.2478749577  -0.2791198255
C    1.1765460546   0.6232504481   2.0907118402
C    4.3421362519  -1.7331942859   0.4892379109
C    3.9246550590  -0.3498523834  -1.5693811432
C    0.2000816563   2.7291695884  -0.0648867915
C    1.2817224761  -1.6813333039   0.0949589921
C   -0.9910668428   3.2115692635  -0.9006946675
C   -2.3019053653   2.6486000933  -0.4281894619
C    1.9373974432  -4.0766314425   0.0483837542
C    1.9819002892  -3.0339921270  -1.8845595025
C   -2.9053601674   1.5656919371  -1.0608426344
C   -2.9302331407   3.1838585771   0.6949483147
C    2.2549361851  -4.9322335572  -0.9603013675
C   -4.0953670388   1.0251948186  -0.5928244794
C   -4.1192229594   2.6607910268   1.1775837360
C   -4.6927029801   1.5792137506   0.5266455953
H    4.0181966350   0.4829179253   1.7531981972
H    4.7420952207   1.2304852956   0.3212175363
H   -0.4140081804   0.6639571197  -0.1149263609
H    0.7843944272   1.0918697279  -1.3224022312
H    0.2378421324   0.0932318240   2.2246798331
H    1.0471808745   1.6332214869   2.4798945428
H    1.9303223042   0.1285488527   2.7046756027
H    5.3902492453  -1.4400579280   0.5764323168
H    4.3182834137  -2.6272369625  -0.1308385852
H    3.9917812697  -1.9909536687   1.4895612190
H    3.3774401470   0.4885237321  -2.0013188586
H    4.9905048131  -0.1329352140  -1.6543923428
H    3.7351462862  -1.2314181259  -2.1777327640
H   -0.0034967488   2.9391037116   0.9888261853
H    1.0742783305   3.3234174730  -0.3366606968
H   -0.8298449927   2.9543450955  -1.9508986717
H   -1.0285382042   4.3024063865  -0.8525927731
H    1.8319823705  -4.2154041410   1.1112403738
H    1.8568528855  -2.2364543584  -2.5995877998
H   -2.4454019946   1.1297921155  -1.9397497477
H   -2.4887374781   4.0317688960   1.2057271390
H    2.4747164431  -5.9857949779  -0.8866741144
H   -4.5462049973   0.1825494081  -1.0996463878
H   -4.5919837938   3.0951194736   2.0483405290
*