! 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   2.6229247671   0.0575007793  -2.8722361363
Cl  -6.9242674156  -1.5906467976   1.2960361374
O    3.1617146421  -0.5834753212   1.5676012121
O    3.9338270963  -1.0903612521  -0.4621532224
O   -2.2015373948   0.2090005931  -1.6610446822
N    3.0162402201   2.2692650301   0.5912957622
N    2.7492160910   2.4436989442   1.8865267746
N    1.5784235392   3.8926419927   0.6426519328
C    3.1558586032  -0.1650801843   0.2322328599
C    3.4938708852  -1.9737051192   1.6259457851
C    3.8526296905   1.1983268683   0.1204057338
C    3.6921229244  -2.3382533355   0.1555624700
C    1.7212546194  -0.1003799335  -0.2917971942
C    2.4240577519  -2.7837522617   2.3200565428
C    1.3988566978   0.0028577705  -1.6442064018
C    0.6581954757  -0.0697859408   0.6058009529
C    0.0884065675   0.0832922907  -2.0844035284
C   -0.6607863256   0.0252582981   0.1982982981
C   -0.9440771651   0.0893413230  -1.1579769254
C    2.3035568158   3.1316690785  -0.1386649866
C    1.8874661783   3.4283030961   1.8696458337
C   -3.2755567421  -0.2293980286  -0.9328504303
C   -3.3380013952  -1.5278949115  -0.4447126074
C   -4.3324370954   0.6469829143  -0.7471539298
C   -4.4628702525  -1.9461356359   0.2465301265
C   -5.4649124562   0.2253782365  -0.0671018968
C   -5.5185441055  -1.0658815693   0.4319061744
H    4.4359531801  -2.0653269884   2.1753992093
H    4.0996702677   1.4053819374  -0.9194240650
H    4.7826020431   1.1832221752   0.6889194669
H    4.5494791943  -2.9881534809  -0.0150036514
H    2.8010419318  -2.8223539082  -0.2637079641
H    2.2692610928  -2.4452819600   3.3448147986
H    2.7288786930  -3.8308859067   2.3639169482
H    1.4708436315  -2.7349991497   1.7912984688
H    0.8622268624  -0.1129960321   1.6657833530
H   -0.1346837165   0.1489245107  -3.1412326890
H   -1.4447633958   0.0552077870   0.9428683837
H    2.3548573381   3.1726812076  -1.2157955043
H    1.4679464854   3.8320294468   2.7781394889
H   -2.5198331281  -2.2198396595  -0.5996615215
H   -4.2779836128   1.6554813788  -1.1361989307
H   -4.5117866299  -2.9558409420   0.6307566775
H   -6.2916881066   0.9076978661   0.0756722219
*