! 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  -1.0681841094   1.2839564865   2.9290274844
Cl   5.0723605882   1.5820892129  -2.5254631323
Cl  -3.0549374243   4.8303292414  -0.5820582110
S    0.5079578057  -2.7368387510   0.4835468957
N   -2.3643630553  -2.9801317838  -0.1216144982
N   -0.2427784812  -0.2253197524   0.5625996199
N   -2.8989713491  -3.0168209895   1.1001325968
N   -3.0201368884  -5.0288755633   0.1249952651
C   -1.7881393420  -1.7632513526  -0.6278024830
C    1.9286209286  -1.8939555314   1.2381658760
C   -0.5521600420  -1.3793501130   0.1582583767
C    2.7001559575  -1.0283744075   0.2879522131
C    3.3385121829  -1.5765523346  -0.8209470402
C    2.8077630392   0.3398027504   0.5103660108
C   -0.9563067541   0.9205402437   0.2619473895
C    4.0679362810  -0.7822666755  -1.6912270173
C    3.5379589183   1.1494181343  -0.3467010029
C   -2.4389830207  -4.1867803072  -0.6920252958
C   -1.3707547855   1.7601707228   1.2993395612
C   -1.1889630089   1.3425264750  -1.0469136536
C    4.1604731884   0.5792690805  -1.4446525244
C   -2.0227132878   2.9548969570   1.0515126941
C   -1.8301174295   2.5392819753  -1.3163445657
C   -2.2480120574   3.3343016333  -0.2624344374
C   -3.2794363499  -4.2629628437   1.2045295610
H   -2.5343055999  -0.9705102774  -0.5842040949
H   -1.5277234238  -1.9194136444  -1.6751187528
H    2.5464271993  -2.7119685813   1.6143958416
H    1.5765810422  -1.3275594288   2.0994873858
H    3.2678316486  -2.6396323067  -1.0181873702
H    2.3099692911   0.7864058856   1.3611902478
H    4.5596053079  -1.2225054100  -2.5483265153
H    3.6122356792   2.2120343941  -0.1585872081
H   -2.0675951826  -4.3932183722  -1.6838616573
H   -0.8382766743   0.7347732965  -1.8714326516
H   -2.3454452886   3.5803966872   1.8724084988
H   -1.9949685323   2.8437030236  -2.3406237702
H   -3.7655998919  -4.6369800646   2.0922091479
*