! 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   0.1851796921  -1.8747725104   0.1636264993
Cl  -5.7771653389  -1.3916780591   2.1594405321
Cl   5.4283217098  -2.4778047525  -0.8125408824
S   -1.1991116103   2.6889666525  -1.1670299149
N    1.7874534760   1.7996348356   0.9764381190
N    0.4383786201   0.6273924362  -1.3672805173
N    0.9360207087   1.1943660370   1.8066126091
N    3.0510634242   0.7296728055   2.3708692403
C    1.2960432827   2.5984469709  -0.1140551931
C   -2.3013023564   1.4317937422  -1.8607467374
C    0.2895533237   1.8016384117  -0.9291254726
C   -3.1486473349   0.7431669161  -0.8261576766
C   -2.6543981075   0.3792626319   0.4233886046
C   -4.4689230585   0.4301501853  -1.1350211433
C    1.6299001049  -0.0735586854  -1.2296595780
C   -3.4563973081  -0.2792719680   1.3418737136
C   -5.2839982982  -0.2305485928  -0.2278071818
C    3.0462941155   1.5122708738   1.3211033952
C    1.6444909833  -1.2881332421  -0.5412291934
C    2.8153414788   0.3503332101  -1.8280239958
C   -4.7679329067  -0.5791647914   1.0089192860
C    2.8058028427  -2.0285024442  -0.4037277037
C    3.9846143400  -0.3797474050  -1.7090860843
C    3.9723334409  -1.5606603831  -0.9853671862
C    1.7367350927   0.5625465609   2.6251013729
H    2.1391655308   2.9088661651  -0.7300873960
H    0.8394427731   3.5081278585   0.2783628460
H   -1.6815187590   0.7174680047  -2.4058222009
H   -2.9267901116   1.9426530738  -2.5923370552
H   -1.6359623968   0.6122840141   0.7076519700
H   -4.8787059618   0.7075132185  -2.0987154534
H   -3.0588412330  -0.5500114675   2.3107569657
H   -6.3093876698  -0.4600501693  -0.4844108844
H    3.9052798497   1.8896893142   0.7888009676
H    2.8197129375   1.2641206503  -2.4086042858
H    2.7962370944  -2.9580551476   0.1486344617
H    4.8931318847  -0.0247064033  -2.1757027588
H    1.3626810629  -0.0423971154   3.4361261598
*