! 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  -3.4005230716   0.8362595880   1.9817661459
S    1.2571718362  -2.0992917716   0.6234549626
O    1.2449820957   0.9060134355   1.4041849717
O    1.3044307200  -3.4604574513   0.1353389466
O    0.9740092938  -1.8508559833   2.0239920418
O    2.9432820489   1.0171285416   2.8660736549
O    0.8810805106  -1.6932412553  -2.2704243274
O   -4.5246928722   2.3606706368  -2.6401962398
N    0.0624501862  -1.2749666563  -0.1974054135
N   -0.9641370218  -0.4141714127  -2.1014550315
N   -2.7447646366   0.9662445820  -2.3659576259
N   -2.1463644710   0.2322998856  -0.2038400381
C    2.7879452389  -1.3084942440   0.1839700401
C    3.2370115969  -0.1528510767   0.8301589681
C    3.5912130521  -1.9667811161  -0.7355133066
C    4.5097706489   0.3184949277   0.5354246007
C    4.8455586714  -1.4610334466  -1.0399923817
C    5.3048713299  -0.3210862345  -0.4035083083
C    2.4586533163   0.6350705345   1.8326010906
C    0.0502009500  -1.1729765898  -1.5596754338
C    0.3113772908   1.5906552465   2.2600588199
C   -1.9895516059   0.2844706449  -1.5165797519
C   -0.0852535543   2.9036616417   1.6340422310
C   -3.7463467508   1.6519772891  -1.8563773825
C   -4.0278222609   1.6649433186  -0.4809167356
C   -3.1704053005   0.9203941361   0.2805160339
C   -4.2507703354   2.3883642176  -4.0414499003
H    3.2563415292  -2.8756172626  -1.2124626585
H    4.8785896844   1.2046882915   1.0341963202
H   -0.6621647338  -0.7930584720   0.3439498180
H    5.4631433271  -1.9717152332  -1.7659259873
H    6.2871182641   0.0713051050  -0.6291488679
H   -0.9244962090  -0.3430441219  -3.1101254479
H    0.7350862124   1.7398412603   3.2517911406
H   -0.5444167684   0.9238878762   2.3628594508
H   -0.8471868553   3.3802870437   2.2512309365
H    0.7620640394   3.5866370034   1.5668725702
H   -0.5004167546   2.7715207006   0.6348012864
H   -4.8548792450   2.2222202110  -0.0683754011
H   -3.2573051904   2.7867182995  -4.2460215128
H   -4.9993984225   3.0477284049  -4.4715410886
H   -4.3425919812   1.3976469901  -4.4859182070
*