! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
Cl  -4.8602288351  -0.2494308678  -1.7852014645
S   -2.0684112494  -1.6247846378  -0.0049547475
O   -2.8714141255  -2.4500674741  -0.8719223111
O   -1.9841547636  -1.9084793016   1.4123779737
O   -0.8605433636  -0.9959591863  -2.6510350347
O    2.7096957150  -1.6176244257   2.4492358463
O    5.6262894887  -0.1501171003  -0.8522992079
N   -1.9288618607   1.0855382299   0.2980141663
N   -0.8027281353   1.0366710879   0.9961625438
N   -3.6936184940   1.8928665265  -0.7844673358
N   -0.4869798091  -1.6162616793  -0.4948348455
N    1.2640193906  -0.9878332487  -1.8778480608
N    1.9797297226  -1.3413088603   0.3051051819
N    3.4468082115  -0.5790992217  -1.3735321369
C   -2.5865056765   0.0112967993  -0.2430570013
C   -0.3307207713   2.1854499273   1.3967012003
C    0.9746588648   2.1598286246   2.1282302682
C   -2.6314808511   2.2046414956  -0.0540879314
C    2.1791106146   2.3280496606   1.1941917438
C   -0.9889786052   3.4183847303   1.1256877049
C   -2.1365308379   3.4377415884   0.3976707509
C   -3.6630180970   0.5697545797  -0.9071339229
C    2.2459905358   3.6635772686   0.4710114616
C   -0.0913084577  -1.1922061874  -1.7384771428
C    2.2685271422  -0.9795272088  -0.9336672819
C    2.9642811095  -1.2902280285   1.1965149277
C    4.4240702036  -0.5443255423  -0.4778821151
C    4.2468410042  -0.8962301325   0.8562326650
C    1.3849385259  -2.0105741090   2.8035348255
C    5.8321987814   0.2446008751  -2.2059242181
H    0.9821270626   2.9524938522   2.8796415102
H    1.0652737200   1.2128814083   2.6624372188
H    2.1752057486   1.5183083547   0.4619078097
H    3.0824595662   2.1941752426   1.7927022016
H   -0.5647234978   4.3360557101   1.5075674502
H   -2.6656149967   4.3499140082   0.1617498440
H    3.1643742024   3.7344402583  -0.1132333477
H    1.4163163330   3.8024832738  -0.2241023389
H    2.2392533695   4.5010572243   1.1714078039
H    1.5456540673  -0.6895457754  -2.8027459156
H    5.0498141561  -0.8534072605   1.5775680834
H    1.0838492524  -2.9219390253   2.2854824259
H    0.6596097043  -1.2192142869   2.6080809333
H    1.4127170514  -2.2061795554   3.8723129756
H    5.2160222851   1.1033149333  -2.4741107585
H    5.6323257295  -0.5715298660  -2.9002757000
H    6.8806121303   0.5231191982  -2.2730886800
H    0.2391513505  -1.6464924903   0.2379129318
*