! 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   0.8760757621  -1.8510980905   1.4587330909
S   -2.7638565826   1.2186452486  -0.9613229592
O    3.0141647529   0.7128933349   0.5432957464
O   -0.9631746009   3.0260371530  -0.3146616013
O    1.6443748918   0.2533986966  -1.1725723532
N   -0.5532481388   0.8515737921   0.3152178892
C   -1.1038795463  -0.4182390945   0.1890207544
C    0.7484724719   1.1659028719   0.8528973197
C   -2.3330669924  -0.3973677839  -0.4816555618
C   -1.2730931993   1.8613273904  -0.2721483672
C   -0.6274506042  -1.6545341936   0.6215178209
C   -3.0772331623  -1.5358749736  -0.7228454368
C    1.8420716702   0.6470022617  -0.0534471255
C   -1.3664457667  -2.8049390096   0.3832253008
C   -2.5809169328  -2.7503614249  -0.2811502506
C    4.1769579296   0.2520173700  -0.1707380673
C    4.7027228334   1.2807790819  -1.1427053653
H    0.8360461433   2.2522995358   0.9094271493
H    0.8564813991   0.8029100559   1.8723606836
H   -4.0220920836  -1.4795383870  -1.2461284572
H   -0.9815852923  -3.7563707144   0.7237578012
H   -3.1371883883  -3.6608103602  -0.4547068382
H    4.9085489697   0.0515795415   0.6099928453
H    3.9538482748  -0.6921455804  -0.6700607568
H    4.9209416775   2.2257159760  -0.6443246548
H    5.6341289492   0.9111648804  -1.5737562329
H    4.0111731634   1.4693152947  -1.9629122164
*