! 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  -3.6020099570   2.6978024225  -3.3321857489
O    1.7184111758   1.3199697434   0.3388434829
O    2.2593696655  -2.8284128778  -1.1059835699
N    1.6262201616  -0.8607170603  -0.1752760977
N    1.8277745368  -2.8107547736   1.1230586119
N    0.9560969249  -3.9676122649   2.7796761912
C    1.4539238612   0.0905471827   0.9675953069
C    1.5839705674  -0.1268211744  -1.4655691397
C    1.1783941488   1.2581723479  -0.9573990878
C    0.0084988317   0.0475694553   1.4857981433
C    2.4766984297  -0.0581095264   2.0779817455
C    2.9611003082  -0.0500862652  -2.1202822114
C    0.5344534403  -0.6703886083  -2.4225943185
C   -0.3979395999   1.2560477066   2.3272738690
C    1.9256063897  -2.1609314030  -0.1500478453
C   -1.9165794855   1.4790469644   2.3205700813
C   -2.4177193754   1.8017259654   0.9403821882
C    2.8808522949  -3.3876034595   1.7884891444
C    0.6917782228  -3.2146105935   1.7509931642
C   -2.1427057442   3.0402709247   0.3627852302
C   -3.0878696726   0.8569006321   0.1687671762
C    2.3193570655  -4.0753157372   2.8194844198
C   -2.5072103453   3.3273688558  -0.9430644493
C   -3.4580322761   1.1220458015  -1.1429184380
C   -3.1576391579   2.3573071446  -1.6902688948
H    1.6069833946   2.0615751047  -1.5571231611
H    0.0875870361   1.3886141949  -0.9522267211
H   -0.1321299291  -0.8557549362   2.0796374401
H   -0.6632139982  -0.0551879982   0.6301902884
H    3.4853745507  -0.1822071914   1.6823866263
H    2.2538135674  -0.8857444127   2.7467143870
H    2.4687317858   0.8491646500   2.6846363915
H    2.8973699433   0.5635919299  -3.0207684967
H    3.3361615600  -1.0270139617  -2.4154894629
H    3.6914010091   0.4131942079  -1.4545966710
H   -0.4286672999  -0.8002819030  -1.9247704256
H    0.3894522150   0.0441870916  -3.2361499055
H    0.8234164229  -1.6197940407  -2.8693680650
H   -0.0641174249   1.1266467140   3.3596263289
H    0.0842383944   2.1638405846   1.9597462050
H   -2.1528274097   2.2979358138   3.0043546700
H   -2.4270102287   0.5930041338   2.7064786617
H    3.9044456780  -3.2365931227   1.4891488895
H   -0.2895550359  -2.9527380380   1.3874062907
H   -1.6275526950   3.8009011584   0.9379244794
H   -3.3230136318  -0.1138114006   0.5891629441
H    2.8259143840  -4.6400388406   3.5865757008
H   -2.2811902913   4.2951393533  -1.3704882525
H   -3.9698237680   0.3677403348  -1.7254871747
*