! 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   4.9814650947   3.9880244888  -1.2818356944
O   -1.7217300527  -0.8278125930   1.6561030914
N   -1.6492286744  -3.0399199400   0.0846042623
N   -0.8207471466  -3.4049231123   1.0678900624
N   -2.3333434536  -5.0060603293   0.6977229855
C   -1.7297719220  -0.5118719673   0.2843571589
C   -3.1414286015   0.0936615196  -0.0021129489
C   -0.6076899008   0.4937335304  -0.0453582227
C   -1.4603562381  -1.7803287706  -0.5937422740
C   -4.2309497905  -0.9754341255   0.1344275639
C   -3.4647347298   1.2095565980   1.0001412508
C   -3.2131716744   0.6842507417  -1.4130574255
C    0.7399979218   0.1472425048   0.5950919255
C    1.8152746326   1.0920190570   0.1395903755
C   -2.5433060129  -4.0057671416  -0.1257963577
C    2.5896662461   0.8112640383  -0.9827210857
C    2.0379505064   2.2935654580   0.8072674273
C   -1.2715901609  -4.5865881896   1.4089225706
C    3.5631458655   1.6933893170  -1.4276336682
C    3.0050855482   3.1900667048   0.3780790477
C    3.7628946513   2.8795894316  -0.7397665033
H   -0.8881590559   1.4972930241   0.2819051466
H   -0.4836828910   0.5539201015  -1.1306084572
H   -2.0914737139  -1.7895858303  -1.4798830994
H   -0.4334636884  -1.7768897668  -0.9602547836
H   -5.2160747077  -0.5086544574   0.0704298015
H   -4.1817405756  -1.4970776585   1.0906714641
H   -4.1967908830  -1.7177730496  -0.6643014353
H   -4.4294932384   1.6556245884   0.7489396311
H   -2.7327054769   2.0184689053   0.9880108448
H   -3.5379293839   0.8405785377   2.0231716584
H   -2.5582016912   1.5472164480  -1.5394131698
H   -2.9613113010  -0.0385692617  -2.1924503862
H   -4.2301195792   1.0239296249  -1.6202671608
H    1.0371358895  -0.8777617070   0.3536162148
H    0.6537832880   0.1987553094   1.6818679234
H   -1.0134380911  -1.4551390352   1.8520175419
H   -3.3112815835  -3.9462814127  -0.8807485705
H    2.4393919281  -0.1163212962  -1.5226785100
H    1.4516678193   2.5379507904   1.6853193500
H   -0.8151658840  -5.1662703692   2.1961745450
H    4.1590434822   1.4538462854  -2.2981756133
H    3.1657840712   4.1160615339   0.9138920961
*