! 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  -1.5187609100   1.6618839270   2.0427383910
Cl   8.1921740827  -0.2833493414  -0.4101701944
Cl  -6.0480563713   2.3894478983  -0.7448401344
S    1.5201770385  -1.2064091781   0.3759745070
N   -2.3007561901  -1.9682652232   0.8474560126
N   -0.6150784505   0.1114946858  -0.3765726516
N   -2.5192531683  -2.6360964881  -0.2874257142
N   -4.4562169408  -2.0015486809   0.6402521966
C   -0.9641201888  -1.7127506481   1.3004564916
C    2.2068249349   0.1393079989  -0.6388504280
C   -0.1851452266  -0.8236456655   0.3520759854
C    3.7003000535   0.0395451944  -0.5880376523
C    4.4204413477   0.7174224752   0.3905805864
C    4.3896796257  -0.7496393936  -1.5032383055
C   -1.9194332053   0.5832661219  -0.4071800459
C    5.8019074713   0.6251519041   0.4515270192
C    5.7709354822  -0.8549295802  -1.4551748464
C   -3.4644863519  -1.5936493088   1.3895423549
C   -2.4521839002   1.3734837095   0.6135313281
C   -2.7015655309   0.3828223317  -1.5442993757
C    6.4656121330  -0.1633459968  -0.4753294314
C   -3.7149262446   1.9349444057   0.5195273973
C   -3.9697230849   0.9212639981  -1.6508108189
C   -4.4679766698   1.6964423957  -0.6160007750
C   -3.8247332255  -2.6321208182  -0.3712697088
H   -0.4462081120  -2.6638189950   1.4363421921
H   -1.0089187464  -1.2351980001   2.2805368220
H    1.8514139685   1.0883582608  -0.2382217390
H    1.8303750838   0.0377841686  -1.6558477838
H    3.9013856456   1.3334501748   1.1147596299
H    3.8470190590  -1.2877050061  -2.2710145374
H    6.3503264501   1.1633854390   1.2127212464
H    6.2953713266  -1.4678733885  -2.1755734051
H   -3.5332107007  -1.0424198991   2.3148221436
H   -2.3003749280  -0.2105992238  -2.3548210775
H   -4.1017984380   2.5418800288   1.3264212708
H   -4.5594343420   0.7387189122  -2.5386751196
H   -4.3439390871  -3.1005912046  -1.1926750290
*