! 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   6.3577137241  -1.2820615516   2.6213062118
N   -3.5182943892   1.2206589155   0.4155672875
N   -4.5083432797   0.3940643201   0.7622687090
N   -5.2290145196   1.8970570531  -0.7311812796
N   -2.4308479267  -2.3115273136   0.1477173252
C   -1.3468777919   0.0641180025   0.0324137595
C    0.0540335875  -0.0732349490   0.6701512445
C   -2.1817996719   1.0316442077   0.9092283406
C   -1.3030801390   0.5899175649  -1.3959277509
C    1.0003970979  -0.9858854565  -0.1070590079
C    2.3424809217  -1.0716830569   0.5624898657
C   -1.9749986246  -1.2582378855   0.0829874357
C   -0.5404825835   1.7239202621  -1.6732811184
C   -2.0640516307   0.0305315045  -2.4156410319
C    2.5969881936  -2.0361436113   1.5335013386
C    3.3534269402  -0.1671606325   0.2498478287
C   -0.5351431848   2.2789542127  -2.9433048653
C   -2.0596316533   0.5874509035  -3.6882602436
C   -3.9614803080   2.1083814989  -0.4813758369
C   -1.2965401319   1.7120963142  -3.9571424139
C    3.8255012199  -2.1072899810   2.1733295924
C    4.5886355900  -0.2213572641   0.8782743281
C   -5.5128293213   0.8377781880   0.0536229600
C    4.8141340100  -1.1962819006   1.8369723078
H   -0.0665903503  -0.4461050823   1.6904512323
H    0.4911180474   0.9232236924   0.7642957382
H   -2.2413628235   0.6644486499   1.9323393344
H   -1.6796822375   1.9975846940   0.9335843023
H    1.1230379414  -0.6138893872  -1.1262936969
H    0.5691000835  -1.9863375625  -0.1905853263
H    0.0561125477   2.1917397664  -0.8996936502
H   -2.6748277362  -0.8452150372  -2.2344020853
H    1.8284992684  -2.7542330859   1.7949055194
H    3.1834065892   0.5926051772  -0.5042874055
H    0.0649696851   3.1581590990  -3.1389952261
H   -2.6602828749   0.1375243792  -4.4679960422
H   -3.3363923500   2.8773304532  -0.9089097407
H   -1.2939469628   2.1463283584  -4.9484911548
H    4.0070337593  -2.8682571406   2.9206403072
H    5.3642791730   0.4860376375   0.6166632503
H   -6.4911044027   0.3849303756   0.1075785919
*