! 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   0.4614283845  -1.1354973065   2.2637112449
Cl   0.8968876558  -5.2758279230  -1.0605840562
O   -0.5766630308   1.0492892748   0.6082236664
O    0.0934609382   1.3121919531  -1.5034146871
N    1.6764699269   2.6913923243   0.4329155047
N    1.4736255827   3.1427476614   1.6719986763
N    1.4850280493   4.8404060094   0.2113681982
C    0.4296230691   0.7063908073  -0.2926870957
C   -1.7292971946   1.5011101316  -0.0983760174
C   -1.3204260879   1.3497221507  -1.5625927646
C   -2.9581316619   0.7026370209   0.2871167630
C    1.7747653228   1.2834012999   0.1575229515
C    0.5434918105  -0.8101925570  -0.4516149944
C   -4.2141653170   1.2090601138  -0.4132929241
C    0.5522712385  -1.6925448361   0.6278724537
C    0.6790828415  -1.3594909254  -1.7230658973
C   -5.4572030087   0.4339966464  -0.0058640010
C    0.6596250273  -3.0638967918   0.4495637587
C    0.7877439053  -2.7240608580  -1.9303003363
C    1.6724006150   3.7122294755  -0.4293361114
C    0.7700262435  -3.5677797022  -0.8342440060
C    1.3662772599   4.4331209985   1.4913481173
H   -1.8832186764   2.5578058708   0.1498780865
H   -1.7205174347   0.4277891187  -2.0037306272
H   -1.6187094360   2.1896225264  -2.1883150010
H   -3.0976789664   0.7614554118   1.3702362257
H   -2.7956534197  -0.3533252219   0.0463036005
H    2.5176610553   1.1159956041  -0.6226719031
H    2.1286855198   0.7917117440   1.0606622137
H   -4.0912671924   1.1434023514  -1.4990953134
H   -4.3545699367   2.2704398743  -0.1872971190
H    0.6989626458  -0.7076370901  -2.5854061243
H   -5.6371493494   0.5080823458   1.0683412883
H   -6.3453154642   0.8111613590  -0.5145162861
H   -5.3635527015  -0.6256456766  -0.2513146993
H    0.6581088195  -3.7257009102   1.3045081369
H    0.8840788882  -3.1153026702  -2.9333548219
H    1.8204288553   3.5903954965  -1.4912377258
H    1.2061095186   5.1112199428   2.3158801231
*