! 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   1.0372640814   1.7377736211   0.4991647256
O   -3.3831807351   1.4584679046  -0.9113499831
O    2.1798630364  -1.1630698808  -2.7121673776
N    0.2489886386  -0.8763391287  -1.6095377045
N    3.1826209292   0.4259721693   1.3382836402
N    4.0010748805  -0.5963405844   1.0748444088
C   -3.6856736670   0.9192385527   0.3782941032
C   -2.5513566257  -0.0352453290   0.6348250282
C   -2.3005408080   0.7954838652  -1.5500082367
C   -1.7373813895  -0.0914606884  -0.4787009800
C   -5.0317723038   0.2023926065   0.3385514681
C   -3.7094880987   2.0628840420   1.3835381985
C   -0.5814144706  -0.8611488050  -0.4738397635
C   -2.2553307858  -0.7554167088   1.7788138357
C   -2.7946132230   0.0520254676  -2.7830693837
C   -0.2913705877  -1.6136586619   0.6618846021
C   -1.1153839822  -1.5492935155   1.7771593904
C    1.6053885832  -0.8787658441  -1.6724667174
C    2.3682831249  -0.5256192850  -0.4655683871
C    3.5399989361  -1.1752013115  -0.0136785950
C    2.1932802413   0.4987981612   0.4408279361
C    4.2015177306  -2.3769679640  -0.5864772672
C    3.4210579000   1.2881989635   2.4713259536
H   -1.5641281902   1.5475181249  -1.8618812282
H   -5.0283243432  -0.6148391011  -0.3840962799
H   -5.8321970714   0.8935230974   0.0675710961
H   -5.2755814380  -0.2186344026   1.3150767175
H   -2.7503022783   2.5815573894   1.4148928139
H   -3.9258235664   1.6963128507   2.3877660655
H   -4.4828376709   2.7889624055   1.1253679273
H   -2.8869646673  -0.7072497916   2.6574470863
H   -3.3071081477   0.7374932149  -3.4589196372
H   -1.9713091362  -0.3855589920  -3.3489294904
H   -3.4836514961  -0.7508664606  -2.5179783203
H    0.5802815294  -2.2539818354   0.6813934782
H   -0.8639988145  -2.1348040234   2.6518326364
H   -0.1983307600  -1.0421402844  -2.5007935721
H    4.4344593603  -2.2423868809  -1.6412881679
H    5.1282214254  -2.5864869661  -0.0546942570
H    3.5625040036  -3.2582061897  -0.5050767414
H    2.5785154229   1.2691652113   3.1602734290
H    4.3021707352   0.9173968798   2.9849607178
H    3.6045493139   2.3132997394   2.1542357408
*