! 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   0.2427961614  -1.7770838094  -1.8224458453
S    1.1260012441  -1.3848524001   1.4585398892
O    0.4612960715  -2.6615252089   1.3176455654
O    1.9003154060  -1.0945711484   2.6441501356
O    1.2389299712   1.5363749141   1.2372999039
O   -4.9283121290   2.9136755082  -1.2141015043
O   -4.1723447456  -1.4503554577   0.1773045315
N    3.3769154573  -0.5352605537   0.0263930588
N    2.6843109236  -0.7964190348  -2.0903238168
N   -0.1095567673  -0.2854643335   1.2922563599
N   -0.9306948425   1.7904676242   0.6557964185
N   -2.9317742012   2.3556106372  -0.2626744617
N   -2.5494375401   0.1357689082   0.4323294196
C    2.1108989392  -1.0877576162   0.0672537762
C    3.6823665651  -0.3846251671  -1.3096413048
C    1.7449055782  -1.2103180289  -1.2596817609
C    4.2477873361  -0.1724543380   1.0092947391
C    4.9238799010   0.1516992679  -1.6775553085
C    5.4526825500   0.3476847441   0.6593398506
C    5.8007356227   0.5152710438  -0.6969914360
C    0.1417419035   1.0455252182   1.0822603649
C   -2.1933797751   1.3975962553   0.2627462366
C   -4.1461395035   2.0054157748  -0.6624026541
C   -3.7716112561  -0.2017025822   0.0317288593
C   -4.6421838500   0.7126164287  -0.5362712731
C   -4.4221715485   4.2323710927  -1.4039268367
C   -3.2757442419  -2.4044904567   0.7400760418
H    3.9432263835  -0.3195603784   2.0308404141
H    5.1478893088   0.2627613029  -2.7287499219
H   -1.0558853259  -0.6319004204   1.0771667435
H    6.1385601365   0.6307826021   1.4439568155
H    6.7639429859   0.9319614960  -0.9559590051
H   -0.7234750222   2.7692141365   0.5047859701
H   -5.6333086344   0.4379638340  -0.8666069658
H   -4.1710081393   4.7101023340  -0.4570730467
H   -5.2242945066   4.7874775706  -1.8830803526
H   -3.5457554594   4.2374120363  -2.0522588899
H   -2.3927205128  -2.5456873114   0.1153160017
H   -3.8274983582  -3.3397936345   0.7785660218
H   -2.9745652859  -2.1320035137   1.7520969919
*