! 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  -2.6586465305  -0.4213118632  -2.7241016869
Cl   4.5823163725   2.2270745728   1.8702816362
Cl  -2.9740675692   4.7301177320  -1.2455357828
S    0.4672191493  -2.9135722288  -0.3402027290
N   -1.6948095794  -2.4333241724   1.5826292531
N   -0.1800744142  -0.4617239505  -1.0012641565
N   -0.9857001471  -1.9880620535   2.6204822463
N   -1.7421201005  -4.0589786384   3.0119856446
C   -1.8436159558  -1.6338058911   0.3997565181
C    1.9695568379  -2.2763283515  -1.1374421102
C   -0.5453245852  -1.4871753292  -0.3652034815
C    2.6233191521  -1.1598208444  -0.3765083613
C    2.9496824255   0.0262929466  -1.0238348633
C    2.9203201338  -1.2846669851   0.9765226949
C   -0.8929544905   0.7274453406  -1.0298221302
C    3.5605540485   1.0695804269  -0.3450736585
C    3.5242785115  -0.2501080502   1.6731578626
C   -2.1369239543  -3.6715929278   1.8257800605
C   -2.0337562848   0.9087671525  -1.8125924663
C   -0.4075314724   1.8277923454  -0.3227839449
C    3.8376405044   0.9230327299   1.0041938396
C   -2.6775354586   2.1335574232  -1.8881842540
C   -1.0417518671   3.0548481556  -0.3751961242
C   -2.1749751022   3.1985317986  -1.1614302205
C   -1.0417475605  -2.9935293783   3.4533165164
H   -2.2294838496  -0.6523699799   0.6764855069
H   -2.5846428553  -2.1107858670  -0.2431404580
H    1.7377808500  -1.9795684004  -2.1593765871
H    2.6222465931  -3.1505256200  -1.1927984573
H    2.7161425188   0.1485183007  -2.0738801214
H    2.6674434393  -2.1940506729   1.5074384293
H    3.8038118311   1.9873256836  -0.8633453994
H    3.7435964886  -0.3590870148   2.7267401176
H   -2.7328675463  -4.2332756653   1.1231666029
H    0.4866091274   1.7066373800   0.2750375894
H   -3.5602883266   2.2477819042  -2.5020839440
H   -0.6509093088   3.8896332035   0.1900178719
H   -0.5650558498  -2.9606101786   4.4206079401
*