! 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   0.9828605579  -1.8004636754  -1.6760339507
S   -2.4757768830   1.2219131697   1.0433390179
O    1.8691309961   0.6406536551   0.5320654293
O   -0.9715139426   3.0797686104  -0.0561526590
O    3.0242173801   1.0433969097  -1.3431601296
N   -0.4893575485   0.8892616653  -0.5688278733
C   -0.8974781012  -0.3977855890  -0.2383487650
C    0.6506919847   1.2496927959  -1.3812510532
C   -1.9943135398  -0.3985086033   0.6322295714
C   -1.1837077466   1.8975424134   0.0510226362
C   -0.3862172337  -1.6335282849  -0.6295896881
C   -2.5851599242  -1.5578140176   1.0964080261
C    1.9868605135   0.9567938228  -0.7378725038
C   -0.9721985411  -2.8046938662  -0.1700985988
C   -2.0632873398  -2.7715990894   0.6831500273
C    3.0593870858   0.3180208542   1.2723180920
C    2.6540061135   0.0882660690   2.7050949859
H    0.6025266802   0.7805665621  -2.3613626665
H    0.6028851993   2.3245588649  -1.5628293531
H   -3.4310299062  -1.5176377229   1.7690781491
H   -0.5634493709  -3.7550601513  -0.4846661979
H   -2.5015426248  -3.6979420558   1.0271596601
H    3.5170310786  -0.5762127934   0.8423774942
H    3.7762564295   1.1378878812   1.1939579301
H    1.9372656922  -0.7285226330   2.7969374882
H    3.5367588189  -0.1754287002   3.2879865927
H    2.2190779403   0.9849782807   3.1474089329
*