! 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   5.4270370016   2.0537671358  -0.7639239408
O   -2.2602739052  -0.3832184436   1.7450225619
N   -1.3463185397  -2.7011996123   0.1105570891
N   -0.8509038833  -2.8284826141   1.3450887656
N    0.3829538326  -3.9941024082  -0.1057856374
C   -2.3104276094  -0.4030961562   0.3336724708
C   -3.5714211320   0.4283743216  -0.0860718769
C   -0.9748659768   0.1050610602  -0.2516230910
C   -2.5029090674  -1.8662633561  -0.1414713036
C   -3.6852215504   1.7308009969   0.7172440013
C   -3.5260207002   0.7804787546  -1.5746304954
C   -4.8651132170  -0.3571616518   0.1820513394
C   -0.5022592141   1.5025803855   0.1603382496
C    0.9752288608   1.6620160160  -0.0731442910
C   -0.6001028125  -3.3987201662  -0.7434357717
C    1.4695097278   2.3704048660  -1.1632286081
C    1.8923070317   1.0725355528   0.7959857888
C    0.1871109439  -3.6091057249   1.1663728137
C    2.8346673597   2.4962345634  -1.3855407762
C    3.2578757527   1.1852146011   0.5925171623
C    3.7188035567   1.9007091039  -0.5023653800
H   -0.9897307205   0.0316682764  -1.3423373725
H   -0.1960904798  -0.5916742957   0.0699093268
H   -3.3483809528  -2.3214628096   0.3719161608
H   -2.6955965531  -1.9141639010  -1.2122257966
H   -2.8489744782   2.4094760243   0.5661435962
H   -3.7810624181   1.5500952947   1.7871487983
H   -4.5830339308   2.2665014059   0.4000314650
H   -2.7228410112   1.4789671083  -1.8139744926
H   -4.4615312887   1.2592026981  -1.8710134604
H   -3.4042521968  -0.0954321245  -2.2154305300
H   -5.0027650022  -1.2020823198  -0.4945698159
H   -4.9162686098  -0.7299296820   1.2065198515
H   -5.7262419528   0.2977070595   0.0350612696
H   -0.7171333094   1.6650732194   1.2185094689
H   -1.0343664409   2.2755939451  -0.3953968735
H   -1.6420592717  -1.0697717874   2.0375229702
H   -0.8076901283  -3.4454167774  -1.8010394856
H    0.7829903340   2.8405180063  -1.8573415475
H    1.5380345447   0.5143637551   1.6552009212
H    0.8194379398  -3.9104959569   1.9870105986
H    3.1974119197   3.0559484638  -2.2373297837
H    3.9510453871   0.7236483871   1.2829999713
*