! 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  -0.0842843889  -0.9729132634   0.8692929848
Cl  -4.1777311921  -2.0461893080   2.1708924030
Cl   4.1539491335  -3.5420768237  -1.2087711576
S   -0.9275378556   3.1540228316  -1.1822374392
N    1.7652659930   2.0044701967   0.8660480603
N    0.1362446301   0.7742197823  -1.4959429315
N    0.9171929215   2.3818398797   1.8232151126
N    2.4569560286   0.9771090713   2.6418670444
C    1.6177492952   2.4833787347  -0.4845857296
C   -2.3404215520   2.1557703691  -1.7190858556
C    0.3343409401   1.9559005102  -1.0992059729
C   -2.7702524569   1.1119573310  -0.7281303460
C   -3.0387726938  -0.1809513814  -1.1610855179
C   -2.9427999988   1.4118714446   0.6183615316
C    1.1195518606  -0.2052403517  -1.4116900720
C   -3.4806904523  -1.1560276447  -0.2812262300
C   -3.3758920505   0.4480644198   1.5147019771
C    2.6765570832   1.1635941716   1.3647599315
C    1.1020619023  -1.1333270752  -0.3682140387
C    2.0971341818  -0.3420984291  -2.3941498422
C   -3.6419477178  -0.8316258814   1.0548183067
C    2.0298321382  -2.1587023169  -0.2973741816
C    3.0325662713  -1.3620868580  -2.3406888312
C    2.9909299986  -2.2631777243  -1.2898910578
C    1.3696973747   1.7416817538   2.8694608382
H    2.4784197922   2.1466610208  -1.0610321235
H    1.6382202340   3.5732094924  -0.4832276732
H   -2.1141152647   1.7110393842  -2.6878050222
H   -3.1334621202   2.8898996585  -1.8814995791
H   -2.8972230808  -0.4411985622  -2.2026393886
H   -2.7274189501   2.4067632561   0.9875967740
H   -3.6821488533  -2.1579216219  -0.6356049395
H   -3.5020508858   0.6964627116   2.5599576053
H    3.4667225086   0.7299618078   0.7712041341
H    2.1173762263   0.3574360655  -3.2200451565
H    2.0039406690  -2.8595056929   0.5256635583
H    3.7816356009  -1.4473574754  -3.1157936045
H    0.9012641826   1.8302838801   3.8374444408
*