! 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  -2.2802617771  -1.3664876574  -2.5692076492
Cl   4.3043153930   2.7857568289   1.8052021220
Cl  -3.7956970977   3.4390872863  -0.7091724632
S    1.5029541523  -3.1491677579  -0.4800245515
N   -1.6930554841  -1.7879121767   1.2888176812
N    0.1583486670  -0.9350709884  -0.8372325850
N   -1.0509959214  -1.1877657807   2.2926267476
N   -3.1642282640  -0.4585354351   2.1597060261
C   -1.0122631056  -2.7279482118   0.4452008413
C    2.6835307476  -2.0739482292  -1.3445506493
C    0.1220113467  -2.0842856033  -0.3278544479
C    3.0936914470  -0.8675810989  -0.5506570160
C    3.6046454362  -0.9910173296   0.7368791772
C    2.9769159382   0.4035452299  -1.1013392028
C   -0.8261843524   0.0353449029  -0.7721740327
C    3.9812009518   0.1253104322   1.4669348878
C    3.3550669711   1.5313093925  -0.3894963037
C   -2.9513870968  -1.3417652112   1.2181584431
C   -1.9761003192   0.0076165781  -1.5616632053
C   -0.6136336385   1.1604221925   0.0255780077
C    3.8490534572   1.3813098266   0.8959396267
C   -2.8910640186   1.0478164395  -1.5541562017
C   -1.5219773806   2.2004598063   0.0596550325
C   -2.6567432759   2.1370721236  -0.7340309083
C   -1.9708989315  -0.4001627529   2.7864279624
H   -1.7299567754  -3.1513225799  -0.2589720223
H   -0.6415692929  -3.5523845142   1.0554355778
H    2.2651059962  -1.7913421923  -2.3098639844
H    3.5372366380  -2.7270917145  -1.5392492120
H    3.7029544635  -1.9691783985   1.1917880652
H    2.5743476303   0.5246921749  -2.0988434285
H    4.3706177472   0.0135486058   2.4698492830
H    3.2518569527   2.5132126302  -0.8314319816
H   -3.6599049773  -1.6890706982   0.4821514433
H    0.2830049837   1.2050111568   0.6291843983
H   -3.7759320873   0.9993545524  -2.1737541949
H   -1.3393203239   3.0548456923   0.6968009812
H   -1.7778679605   0.2419498724   3.6315623250
*