! 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  -2.2653849549   2.6211455555  -1.5610059388
S    1.7407006479  -1.1842237043  -1.4971917432
O    2.7460476111   2.2260459507   0.4318558166
O    1.9480669046   0.1178933185  -2.1006029081
O    2.0670429940  -2.3840597070  -2.2341597794
O    0.7486333757   1.2154341375   0.5053556885
O    0.1163086034  -3.2543912456  -0.1425638573
O   -5.5533339306   0.1610510171   1.2933984571
N    0.1235439166  -1.1994546500  -1.1115113559
N   -1.7425671982  -1.9884110715   0.0271883010
N   -3.6554847897  -0.9228722745   0.6485297866
N   -2.0811308946   0.1877780024  -0.7092611499
C    2.6039821474  -1.2236443347   0.0518185706
C    2.7216332946  -0.0673836865   0.8253135569
C    3.2542803605  -2.3939683875   0.4072740138
C    3.5149613472  -0.1083519459   1.9629458587
C    4.0236602930  -2.4232027033   1.5610079958
C    4.1557203213  -1.2826831811   2.3336067783
C    1.9500214816   1.1838441794   0.5493073933
C   -0.4512528243  -2.2160473602  -0.3995804585
C    2.1425613515   3.5242157800   0.2607949329
C   -2.5156136805  -0.8536657075  -0.0238492545
C    1.6797526706   4.1090053020   1.5737359359
C   -4.4123718519   0.1553350237   0.6419899286
C   -4.0495020058   1.3311515367  -0.0336696983
C   -2.8511365585   1.2623291843  -0.6899072863
C   -5.9385666318  -1.0057938422   2.0194366537
H    3.1765043554  -3.2780038671  -0.2082381788
H    3.6240134491   0.7756585734   2.5768631030
H   -0.3955321274  -0.3148382256  -1.1961665381
H    4.5257187336  -3.3378397208   1.8444391781
H    4.7626914498  -1.2993691987   3.2285183100
H   -2.1424935342  -2.7547015848   0.5531376232
H    1.3260518670   3.4606956750  -0.4595940238
H    2.9330908435   4.1310333402  -0.1760310152
H    1.3382733756   5.1303233273   1.4034000734
H    0.8502960168   3.5511253198   2.0060902839
H    2.4920154887   4.1490123681   2.2995299914
H   -4.6725993040   2.2122503422  -0.0257837840
H   -6.8930218970  -0.7621686825   2.4774003160
H   -5.2155689442  -1.2483504210   2.7979215329
H   -6.0625030655  -1.8650202715   1.3608810264
*