! 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  -2.1032921238  -0.3261326512  -2.8926166137
Cl   3.5624707252   2.5751174593   2.3737012533
Cl   0.6435111163   4.2751722253  -2.5845723249
S   -0.4183829742  -2.4744108289  -0.6003533145
N   -1.9575743906  -3.2238132957   1.8616521802
N   -1.9446777843  -0.2634223232   0.1453915641
N   -1.1728634674  -2.6843566411   2.7951431417
N   -1.2337806389  -4.9118143500   3.0090250072
C   -2.6375493946  -2.3915088159   0.9041768574
C    0.8909534762  -1.4099570316  -1.2484145372
C   -1.6812855184  -1.4963505741   0.1400839557
C    1.5359999526  -0.4432884190  -0.2960857016
C    1.4693769190  -0.5663412891   1.0860778065
C    2.2534339115   0.6185294280  -0.8395260881
C   -1.3185353074   0.7614488581  -0.5394452444
C    2.0947210951   0.3563436397   1.9118133596
C    2.8858737873   1.5454983506  -0.0290555968
C   -1.9858753155  -4.5510838903   1.9984108643
C   -1.3231747906   0.8797187788  -1.9291373896
C   -0.7642885227   1.8081739757   0.2004408962
C    2.7952977729   1.4082324108   1.3465703593
C   -0.7302911025   1.9604375662  -2.5661868811
C   -0.1632406632   2.8864298566  -0.4136761384
C   -0.1384198909   2.9466494637  -1.7992929929
C   -0.7581888474  -3.7335745050   3.4573247515
H   -3.3631563565  -1.7568848693   1.4100508462
H   -3.1782268159  -3.0412085783   0.2144878348
H    0.5534114577  -0.9048887711  -2.1514295929
H    1.6281949125  -2.1483849218  -1.5785902832
H    0.9141442186  -1.3763745543   1.5428046264
H    2.3141591223   0.7374863145  -1.9144394539
H    2.0268559662   0.2523316257   2.9863564505
H    3.4307273285   2.3698901599  -0.4687181019
H   -2.5583737716  -5.1968030676   1.3508828137
H   -0.7925388711   1.7513314597   1.2800769170
H   -0.7334854974   2.0220464899  -3.6458599374
H    0.2855155562   3.6679764989   0.1831750707
H   -0.0885163732  -3.6464736391   4.2988366670
*