! 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   1.9723678379   0.6455595792  -2.5124311967
Cl  -8.2168677198  -0.1065114946   0.4429643645
Cl   6.0685273118  -2.3503997518  -0.7461769206
S   -1.5256434645   0.9405542241   0.8947452641
N    2.2967968870   1.7537125249   1.2517798386
N    0.5846616906  -0.2724736379  -0.0796328435
N    3.4180251510   1.2657721367   1.7889567789
N    3.8936938778   2.6191944451   0.0704158116
C    0.9989946942   1.3850986939   1.7506269894
C   -2.2506563120  -0.3083652700  -0.2134752657
C    0.1805434652   0.5805321725   0.7569126551
C   -3.7396892044  -0.2594808240  -0.0578002937
C   -4.5194037715   0.5231111526  -0.9026416968
C   -4.3653483899  -0.9854926507   0.9515321986
C    1.8988962000  -0.7100130937  -0.1864186420
C   -5.8974112783   0.5755691099  -0.7562604452
C   -5.7407837393  -0.9447653391   1.1119320265
C    2.5955270830   2.5608901080   0.2280879796
C    2.6549279857  -0.3940664553  -1.3152797390
C    2.4619697455  -1.5673818290   0.7557521287
C   -6.4961314752  -0.1611839587   0.2529344068
C    3.9387367721  -0.8801172540  -1.4910335682
C    3.7353752216  -2.0810617036   0.5891364258
C    4.4676784015  -1.7267284736  -0.5313674983
C    4.3486367463   1.8097858621   1.0498193740
H    0.4540907218   2.2850060710   2.0408043209
H    1.1433558590   0.7986132726   2.6580507800
H   -1.8505108113  -1.2835782644   0.0627795791
H   -1.9426268886  -0.0932253708  -1.2358473857
H   -4.0523582205   1.0982571978  -1.6927597227
H   -3.7755519466  -1.5981845633   1.6224735691
H   -6.4923138130   1.1830109345  -1.4246549917
H   -6.2142951598  -1.5199858280   1.8959540237
H    1.8480067125   3.0759923291  -0.3548254905
H    1.8857684721  -1.8472538743   1.6281635940
H    4.5104892843  -0.6032036003  -2.3660922711
H    4.1490680480  -2.7472210995   1.3335407426
H    5.3961396067   1.6178879697   1.2220028322
*