! 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
O    0.9868609947   0.6114638155  -1.3003378462
N    0.8206977825  -2.1166560902  -0.4181368085
N    0.7247395465  -2.8677487255   0.6811426910
N   -1.1500631918  -3.0186913610  -0.5313503903
C    3.3342697974   0.7826715251  -0.4962037372
C    1.9271061546   0.1135923069  -0.3921154978
C    4.0263304487   0.2885496747   0.7839226313
C    1.6130972333   0.2922482490   1.0791913998
C    2.9098831238   0.1259173947   1.8334128514
C    2.0263818678  -1.3841446397  -0.7219533941
C    3.1741497541   2.3044734271  -0.4383021328
C    4.1011298491   0.4206313054  -1.7605092152
C    0.4588408472   0.5863890734   1.6712671382
C   -0.3054666641  -2.2120826679  -1.1290155428
C   -0.4697856655  -3.3917664702   0.5704047334
H    4.8002430646   0.9850900440   1.1099466365
H    4.5313082499  -0.6632257649   0.6042332341
H    2.9882557459   0.8569780060   2.6388373344
H    2.9536020917  -0.8588142194   2.3056115851
H    2.8329866637  -1.8665677933  -0.1742435077
H    2.2372169886  -1.5058218910  -1.7849136889
H    2.6280629610   2.6426417667   0.4459204004
H    4.1558780129   2.7802099953  -0.4057440451
H    2.6653858614   2.7011331860  -1.3199467721
H    5.0513274497   0.9579374197  -1.7912449383
H    4.3395079157  -0.6421580131  -1.8228868693
H    3.5460452332   0.6947678979  -2.6603588864
H    0.7737402558   1.5242424662  -1.0853503080
H   -0.4608053291  -1.6923997532  -2.0605696846
H   -0.8651858843  -4.0691235426   1.3118838744
C   -0.8724560420   0.7938017889   1.0601978590
C   -3.4220044448   1.1756910423   0.0066737148
C   -1.2057421892   1.9767871442   0.4036515403
C   -1.8609263347  -0.1753359987   1.2090216638
C   -3.1300319738   0.0014918770   0.6815406923
C   -2.4696120187   2.1723907363  -0.1323512354
H   -0.4769556192   2.7750452399   0.3209444995
H   -1.6368231895  -1.0898878878   1.7419210286
H   -3.8784454495  -0.7708885813   0.7970063152
H   -2.7055797667   3.0944720644  -0.6464241614
Cl  -5.0051488403   1.4073321995  -0.6617836761
H    0.4736117089   0.6683980398   2.7566749241
*