! 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   -0.1699168016  -0.3989111702  -0.6504069987
O   -1.3617158139  -1.3098325909   1.0398870674
O    6.1030988908   1.2715905177   0.2341164757
O    3.9826802668   1.9083728944  -0.1465325082
N   -2.2787890913   0.1632210439  -0.4564798137
N    4.5524973310  -0.2852631617   0.1933219040
C   -3.6161871040   0.2465900259  -0.0555377381
C   -5.7155307029   1.4390788112  -0.3385911421
C   -4.3688367263   1.2756104216  -0.6281728238
C    3.3421145286  -0.9559428062   0.0312717971
C    0.9805280938  -1.0942553636  -0.3507779837
C   -4.2272543697  -0.6350573388   0.8317289994
C   -6.3191325505   0.5502520768   0.5511490239
C    2.1176079965  -0.3217565674  -0.1747759118
C   -5.5756409933  -0.4673865214   1.1224461589
C   -6.5089902163   2.5447749966  -0.9688350358
C    3.3849038460  -2.3511224749   0.0841605191
C    1.0077348730  -2.4775639373  -0.3169379495
C    2.2303161584  -3.0920118036  -0.0879983867
C   -1.2927208027  -0.5890068069   0.0779970206
C    4.8008697622   1.0444652114   0.0727538779
C    6.5365159645   2.6255187504   0.1340870766
H   -3.8881050484   1.9620166838  -1.3174984566
H   -3.6829249715  -1.4455580206   1.2891393171
H   -7.3702521041   0.6553884756   0.7924628092
H    2.0337428937   0.7528000003  -0.2151078780
H   -6.0495417688  -1.1568883831   1.8096923444
H   -2.0160294493   0.7582916642  -1.2288362425
H    4.3280154588  -2.8581350069   0.2494627466
H    0.1170894317  -3.0681526957  -0.4788377827
H   -7.3179537413   2.1484262181  -1.5853359655
H   -6.9695388951   3.1829263441  -0.2128054977
H   -5.8901542555   3.1780356246  -1.6039526276
H    2.2842241607  -4.1720425141  -0.0531081412
H    5.3555203571  -0.8727261494   0.3661409251
H    6.0908338174   3.2502475953   0.9084341497
H    6.3157020064   3.0488760111  -0.8458559687
H    7.6140410125   2.6019558878   0.2748144926
*