! 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  -5.8298162864  -0.8977818485  -1.0031106600
O    0.0374366087   1.5865994295   0.9805456131
N    1.4359688352   1.5317545508   0.7065131116
N    4.9141409612  -1.1760446581  -1.1520282119
C    1.5957024387   0.3085615390  -0.0977185897
C    0.7356804877  -0.6473226905   0.7438265053
C   -0.3788484393   0.2705633077   1.2836474885
C    3.0545819077  -0.1012050925  -0.0713019472
C    1.0444990374   0.4267600374  -1.5209050137
C   -1.7422588188   0.0153109509   0.6890377265
C    1.7780553584   2.7773125637   0.0623197558
C    3.8529922874   0.1287469027   1.0476202971
C    3.6526102064  -0.7621141713  -1.1402020789
C   -2.4284869705   0.9650950900  -0.0583656909
C   -2.3495255306  -1.2188269025   0.9126035280
C    5.1721470652  -0.2900771024   1.0418415984
C   -3.6854741346   0.6897378465  -0.5811311194
C   -3.6005196598  -1.5099843482   0.3956869549
C    5.6584860474  -0.9400205042  -0.0816461674
C   -4.2618355820  -0.5469804499  -0.3518548839
H    0.3604181459  -1.4852901599   0.1583529778
H    1.3166767952  -1.0531402027   1.5715581943
H   -0.4524525431   0.1467759578   2.3716373917
H    0.0390667140   0.8460289155  -1.5192210262
H    0.9749588548  -0.5507876565  -1.9962828067
H    1.6679371357   1.0590602990  -2.1539720937
H    1.6730837340   3.5955660915   0.7748768999
H    1.1762762499   3.0099980706  -0.8228185348
H    2.8262427497   2.7345930440  -0.2319008318
H    3.4487383734   0.6381858049   1.9118315645
H    3.0889128600  -0.9801730928  -2.0390391557
H   -1.9933948823   1.9365053324  -0.2479081451
H   -1.8418027218  -1.9754337884   1.4995125884
H    5.8166836396  -0.1169549531   1.8929152316
H   -4.2042293647   1.4411961975  -1.1612077816
H   -4.0519679345  -2.4761930872   0.5765341897
H    6.6866131507  -1.2823794596  -0.1188488556
*