! 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   4.1373359132   2.3650059346  -1.5046441796
S    1.3444563325  -1.6410075617   1.1511489336
O    1.2828276420  -1.0098886259   2.4478661621
O    1.7531230126  -3.0203661946   1.0419060602
O    2.0659210881   2.8948849620   0.6101449532
O    0.4496076530   1.4081372826   1.0175983810
O    0.4002349809  -2.2639290587  -1.5497114972
O   -3.4345307196   0.6839766203   2.4490321845
O   -5.7439433977   0.6134950793  -1.5762014415
N    3.3797607247  -1.1861327098  -0.6590950225
N   -0.1543896940  -1.4417233825   0.4919941025
N    4.0629477970  -0.2309660570  -1.2688208982
N   -1.6529292255  -1.3641341230  -1.2764351999
N   -2.5247343639  -0.3385029779   0.6195028955
N   -3.6994264515  -0.3877159714  -1.4241222295
C    2.4008641906  -0.6774013428   0.1063648435
C    2.4552424358   0.7063830902  -0.0069653645
C    3.5273215609   0.9035710858  -0.8875674829
C    3.7800269631  -2.5628217098  -0.9025307928
C    1.5453920253   1.6860642361   0.5982820832
C   -0.4117502697  -1.7315654543  -0.8237904535
C   -2.6659173669  -0.6644699123  -0.6530700517
C   -3.5219429361   0.3404457039   1.1788769852
C   -4.6843346284   0.2945496416  -0.8569108509
C    1.2570316446   3.9494101006   1.1347012215
C   -4.6581388258   0.6991097243   0.4727985128
C   -2.2728490661   0.3162835335   3.1907110123
C   -5.7901382759   0.2210608355  -2.9453568802
H   -0.8506119785  -0.8749520057   1.0011343601
H    4.2015782520  -3.0077814467  -0.0058172339
H    2.9383716754  -3.1506398388  -1.2519851945
H    4.5400290755  -2.5300839270  -1.6754619051
H   -1.8218426947  -1.5817996936  -2.2500684596
H    0.3343879483   4.0649558947   0.5660846929
H    1.0181121515   3.7811092070   2.1847129705
H    1.8519301423   4.8533092249   1.0422001626
H   -5.4670807089   1.2542814561   0.9247928386
H   -2.4476971044   0.6710230435   4.2030359133
H   -1.3773542456   0.7971927444   2.7977839631
H   -2.1346643934  -0.7652590912   3.2163313341
H   -6.7351156943   0.5994717198  -3.3263433832
H   -5.7673432469  -0.8632237601  -3.0556323549
H   -4.9721030623   0.6574099001  -3.5188523157
*