! 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   0.0280758983  -1.1533104612   1.0232284490
Cl  -4.3451952930  -2.1475256960   1.6239297543
Cl   3.1504875751  -4.6143630085  -1.6445875935
S   -0.2819118928   3.0056951677  -0.5841734705
N    1.9991987119   2.6156861148   1.1836563097
N    0.3932736853   0.5956582571  -1.3633335946
N    1.3835678323   2.2699466471   2.3151527325
N    2.1826447399   4.3581291062   2.4571106600
C    2.0571506108   1.7142981584   0.0685333979
C   -1.7845446187   2.3784763852  -1.3912824832
C    0.7425342987   1.5908001006  -0.6717832704
C   -2.4351915448   1.2568487278  -0.6365858559
C   -2.8008490592   1.4069911010   0.6967497457
C   -2.6846475265   0.0415585729  -1.2620272451
C    1.1001425648  -0.5977725794  -1.3923643783
C   -3.3920721479   0.3682988209   1.3968354646
C   -3.2820408092  -1.0067863067  -0.5800524600
C    2.4670754773   3.8650479961   1.2787293377
C    0.9781353244  -1.5378950851  -0.3648505267
C    1.8726813761  -0.9384728545  -2.5000310671
C   -3.6234267586  -0.8350756576   0.7500661164
C    1.6047369511  -2.7713841921  -0.4342951551
C    2.5097838667  -2.1635793935  -2.5841467492
C    2.3689060570  -3.0728019601  -1.5481542085
C    1.5170527829   3.3437770742   3.0476110036
H    2.3902986477   0.7385689759   0.4183530298
H    2.8102072845   2.0804539346  -0.6312057833
H   -1.5492257260   2.0897878946  -2.4147860990
H   -2.4360730467   3.2534822253  -1.4418128305
H   -2.6128499405   2.3414913535   1.2108872608
H   -2.4002581312  -0.0999261266  -2.2966351859
H   -3.6644029788   0.4981660979   2.4354757001
H   -3.4614027684  -1.9486510530  -1.0802582109
H    3.0029610447   4.3548053848   0.4806732080
H    1.9674719504  -0.2285121719  -3.3112062898
H    1.4970921017  -3.4819152233   0.3736745037
H    3.1067834256  -2.4019738679  -3.4529579533
H    1.1290474443   3.3990737574   4.0528314279
*