! 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   1.8146250645  -1.4830867819   2.4470711195
Cl  -8.1103868339   0.5772365363  -1.1361833327
Cl   6.0587109101  -2.3682058903  -0.7169794002
S   -1.5635787512   1.0214664897   0.6761327100
N    2.2247952053   2.0058663208   0.6254252173
N    0.5553161669  -0.3479554543  -0.0404436792
N    3.3907902400   1.6434770898   1.1651251170
N    3.7150570004   2.6260112486  -0.8194058391
C    0.9720015161   1.7372519354   1.2771932493
C   -2.2849866149  -0.4550714586  -0.1127503831
C    0.1482245814   0.6782289385   0.5683331789
C   -3.7384810690  -0.1956804350  -0.3608154286
C   -4.1466415399   0.4747239738  -1.5106325470
C   -4.7023571394  -0.6083260819   0.5526900508
C    1.8778939595  -0.7549882931  -0.1547216149
C   -5.4880780929   0.7171850053  -1.7559709411
C   -6.0495524348  -0.3736417992   0.3227696257
C    2.4333425486   2.5908329064  -0.5595759846
C    2.5693707267  -1.3554409422   0.8979300812
C    2.5152619134  -0.6812156098  -1.3919765077
C   -6.4306834752   0.2873611129  -0.8338978216
C    3.8484241138  -1.8592003038   0.7343964537
C    3.7998893328  -1.1584178987  -1.5704512402
C    4.4572457955  -1.7494462204  -0.5030248142
C    4.2560023728   2.0323578031   0.2659252936
H    0.4037546229   2.6647391068   1.3608214220
H    1.1848414173   1.4038884998   2.2931723587
H   -2.1328012219  -1.3132450053   0.5410045008
H   -1.7446213920  -0.6352208004  -1.0411859407
H   -3.4108285388   0.8080379351  -2.2324159938
H   -4.4049215123  -1.1279117089   1.4552326453
H   -5.7933391453   1.2317211390  -2.6570614413
H   -6.7900825859  -0.7061867048   1.0374013436
H    1.6358869302   2.9670839233  -1.1819882523
H    1.9867119536  -0.2380428302  -2.2257220402
H    4.3624098335  -2.3206230045   1.5663180464
H    4.2767024049  -1.0768318159  -2.5375928786
H    5.3171536323   1.8890928589   0.3957175512
*