! 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   5.3161260175   2.5116673156   0.6838232414
O   -2.4714939789  -1.3045056323   1.5666849542
N   -1.2733659330  -2.5063576541  -0.7066198745
N   -0.2703464522  -2.4803062143  -1.5888878573
N   -0.0302416706  -4.2130168710  -0.1965967866
C   -2.3024066666  -0.5149701570   0.3975199985
C   -3.5124832513   0.4814119075   0.2923362616
C   -0.9125776423   0.1526734449   0.4912287206
C   -2.3514069384  -1.5393490799  -0.7465648064
C   -3.6442612734   1.2788081568   1.5960079514
C   -3.3774967564   1.4841024052  -0.8570945393
C   -4.8273616939  -0.2851317678   0.0916214587
C   -0.2604312194   0.7539541369  -0.7614123649
C    1.1382557281   1.2031027902  -0.4396550789
C   -1.1178744959  -3.5477075570   0.1153442277
C    2.1958070001   0.2962996909  -0.4368696252
C    1.4038646948   2.5231259491  -0.0880339530
C    0.4506768307  -3.5172824405  -1.2445024528
C    3.4806660824   0.6876625787  -0.0937567492
C    2.6828725855   2.9359550946   0.2568357034
C    3.7128736260   2.0098024823   0.2527969752
H   -0.2303684083  -0.6125317648   0.8744469586
H   -0.9413963376   0.9220913734   1.2693755948
H   -3.2852808244  -2.0971987272  -0.7017392278
H   -2.3113185750  -1.0582635390  -1.7209148063
H   -4.4258386804   2.0332878832   1.4865418849
H   -2.7306004133   1.8124784624   1.8646031633
H   -3.9326107407   0.6527216045   2.4420160800
H   -3.1227904911   1.0184108067  -1.8109376643
H   -2.6382003024   2.2577225674  -0.6509281981
H   -4.3295592201   1.9994726134  -1.0026278095
H   -4.9533554749  -1.0913781054   0.8155593786
H   -5.6710002298   0.3967243383   0.2165460247
H   -4.9203160621  -0.7100850243  -0.9095587399
H   -0.8248425972   1.6032716279  -1.1389775649
H   -0.2240904987   0.0174394890  -1.5647952217
H   -2.1938603523  -0.7946009184   2.3351270935
H   -1.8097747727  -3.7860336336   0.9060391281
H    2.0178333489  -0.7366089186  -0.7127187257
H    0.6008527155   3.2508529639  -0.0842176356
H    1.3514818095  -3.7858355977  -1.7746192768
H    4.2893557437  -0.0308667611  -0.0989744715
H    2.8693403024   3.9676253380   0.5236159576
*