! 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  -2.1579400413  -0.9660496001  -2.5985911289
Cl   4.9409011236   2.9182153848   1.1406617725
Cl  -3.7079849434   3.5864065763  -0.2061476033
S    1.5514398787  -3.0124657455  -0.0126482049
N   -1.9799900491  -1.8989054982   1.3790795512
N    0.0096935300  -0.9734075200  -0.5932752580
N   -2.8013796538  -2.3897384029   0.4491020604
N   -3.8686786235  -0.9029595130   1.7394713713
C   -0.6073207926  -2.3072301631   1.4378021541
C    2.5655815944  -2.0809844040  -1.2011530406
C    0.1922805015  -1.9261489002   0.2074003833
C    3.1521633124  -0.8318960796  -0.6171261522
C    2.7470482006   0.4220608864  -1.0607392039
C    4.1218669673  -0.9061211635   0.3798764092
C   -0.9095528574   0.0505980736  -0.4393888754
C    3.2919389206   1.5805392982  -0.5257284945
C    4.6769264112   0.2397342500   0.9247484612
C   -2.6285315922  -1.0119861055   2.1413833831
C   -1.9512854782   0.2088329226  -1.3542751739
C   -0.7419463935   1.0327258546   0.5360105565
C    4.2529146884   1.4783157258   0.4656668073
C   -2.8201644486   1.2839576503  -1.2833293843
C   -1.5937991133   2.1197701360   0.6158111200
C   -2.6323090366   2.2337972594  -0.2934690268
C   -3.9208788050  -1.7622599632   0.6999479133
H   -0.5644171709  -3.3895147046   1.5783022172
H   -0.1435628519  -1.8600424045   2.3182274171
H    1.9677689230  -1.8757004916  -2.0876764565
H    3.3475244429  -2.7864200705  -1.4881705149
H    1.9973142369   0.5024824159  -1.8360354462
H    4.4538974770  -1.8720167802   0.7415573044
H    2.9660755995   2.5486105623  -0.8815529958
H    5.4323638045   0.1665204534   1.6954686883
H   -2.1623382881  -0.4867623950   2.9603728569
H    0.0806777882   0.9469745462   1.2347446900
H   -3.6289652648   1.3768990431  -1.9950712895
H   -1.4444353861   2.8669217889   1.3830593887
H   -4.8128141459  -1.9304078705   0.1168695115
*