! 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  -1.4018425765  -0.4700851370   3.1266797837
Cl   4.0204163438   2.6759779918  -2.7125260383
Cl  -3.3721026037   3.6943316758   0.3641002657
S    1.5472205013  -3.1201991560   0.0699392964
N   -2.1895614725  -2.0404712081  -0.4679278917
N    0.2698558091  -0.9300225517   0.7283102232
N   -2.6766848541  -2.4939863645   0.6887762981
N   -4.1468482686  -1.1273247090  -0.3044262349
C   -0.8790995096  -2.4236874409  -0.9113674903
C    2.8655437192  -2.0825954293   0.7733643382
C    0.2153945499  -1.9828967674   0.0403191019
C    3.1809917196  -0.8958413061  -0.0871246900
C    3.6462652887  -1.0640967937  -1.3883070586
C    2.9946207499   0.3957887116   0.3918614526
C   -0.6254484735   0.1207894522   0.6151963058
C    3.9107769897   0.0270940978  -2.1996621873
C    3.2559738611   1.5003496737  -0.4055021420
C   -3.0751877856  -1.2248357169  -1.0501909675
C   -1.4495194420   0.4729591400   1.6841720040
C   -0.6385386283   0.9341991752  -0.5173613166
C    3.7067523658   1.3044322392  -1.6997920169
C   -2.3033219356   1.5599100821   1.6106681585
C   -1.4732666575   2.0341184673  -0.6025304395
C   -2.3095598830   2.3309847294   0.4606244844
C   -3.8500958845  -1.9190357169   0.7473825028
H   -0.6984018156  -1.9874827546  -1.8954168603
H   -0.8479796076  -3.5076794293  -1.0399831052
H    3.7201159342  -2.7573228438   0.8539114281
H    2.5845353163  -1.7868244495   1.7828535044
H    3.7984157234  -2.0600942555  -1.7863960508
H    2.6312497315   0.5501575313   1.3992071723
H    4.2696492277  -0.1201704319  -3.2093217859
H    3.0980324352   2.4980280439  -0.0188437688
H   -2.8955853697  -0.7393189630  -1.9965635316
H    0.0267660175   0.7048281357  -1.3401525059
H   -2.9492491107   1.8006992368   2.4436742221
H   -1.4659296223   2.6490930104  -1.4917247988
H   -4.5203243210  -2.0758753638   1.5781827362
*