! 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  -1.8644621040   0.8926168302   3.2131272835
Cl   3.8114059828   1.0850416279  -3.6725760053
Cl  -2.5986379079   5.0819365703  -0.0647631911
S    0.6328581727  -2.5928183459   1.3071218333
N   -1.9895275545  -2.7704602308   0.0402849494
N    0.0934698159  -0.0375042229   1.1030072531
N   -1.6248421462  -2.8683432566  -1.2389233415
N   -2.3191996274  -4.8507157095  -0.4619258856
C   -1.8409274975  -1.5341780135   0.7546755528
C    2.2666779432  -1.8058477177   1.3698979343
C   -0.3924517529  -1.1982597385   1.0368786063
C    2.6467849705  -1.0971704968   0.1018059506
C    2.5569720605  -1.7248355845  -1.1360595547
C    3.1090471913   0.2129009808   0.1521687193
C   -0.6107001727   1.1251878181   0.8294993940
C    2.9141536553  -1.0621653067  -2.3000899476
C    3.4776873447   0.8892074684  -1.0004638061
C   -2.3965317322  -3.9602715885   0.4941887707
C   -1.5118706863   1.7007991235   1.7256999497
C   -0.3381221464   1.8161317869  -0.3519260339
C    3.3711632866   0.2441597254  -2.2216029830
C   -2.1259956912   2.9152076316   1.4616860674
C   -0.9480457563   3.0224372446  -0.6390770456
C   -1.8387795490   3.5653742642   0.2746175160
C   -1.8421227779  -4.1307611600  -1.4977838920
H   -2.3766041606  -1.6201148061   1.7013152832
H   -2.3085185303  -0.7314733150   0.1839017564
H    2.9453350373  -2.6377136405   1.5723403773
H    2.3129978286  -1.1351481538   2.2268657135
H    2.1899631968  -2.7413533643  -1.2064221563
H    3.1727443556   0.7254080711   1.1035763199
H    2.8347754176  -1.5623141802  -3.2558554556
H    3.8302945414   1.9101286586  -0.9422403883
H   -2.7358926995  -4.1192527483   1.5060321010
H    0.3707733476   1.3907518807  -1.0503456114
H   -2.8196409271   3.3403312558   2.1740177639
H   -0.7244205126   3.5328738555  -1.5656226462
H   -1.6534965869  -4.5526637548  -2.4727345290
*