! 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   1.4953849471   0.5610177978  -2.0406745125
Cl   4.1638600686  -3.7151976543  -0.3106746539
O   -1.1215456300   0.3866197749  -0.7336143434
O   -1.3139239012  -0.3291623492   1.3705203301
N   -0.8581013380   2.5270584115   1.0421748881
N   -1.6715297899   2.6746279576   2.0897763257
N   -2.1800797958   4.1541793049   0.4866769247
C   -0.4052012301   0.1774583570   0.4467192409
C   -2.3723742229  -0.2997694825  -0.6726620426
C   -2.2588798633  -1.0835553859   0.6324877063
C    0.1463506648   1.5017841836   0.9875094623
C    0.7538643491  -0.7946144128   0.2195184268
C   -3.5239107882   0.6906462082  -0.7055365413
C   -4.8693254066   0.0006866455  -0.8745682560
C    1.6331038331  -0.6985272294  -0.8582068750
C    0.9867198657  -1.8113495356   1.1405132277
C    2.6813967634  -1.5901729227  -1.0292153218
C    2.0243320775  -2.7165100132   0.9946294162
C   -1.1779099693   3.4083755333   0.0908927526
C    2.8625119662  -2.5986469424  -0.0991377109
C   -2.4437177728   3.6623357958   1.7142917032
H   -2.4399679491  -0.9751847369  -1.5311975805
H   -3.1856156746  -1.1290516622   1.2042150289
H   -1.9083060021  -2.1076054726   0.4641363563
H    0.9622901477   1.8586904965   0.3616530404
H    0.5499806131   1.3476862020   1.9876193152
H   -3.3677444509   1.3853264809  -1.5343914672
H   -3.5215260635   1.2860678675   0.2125047121
H   -4.9120220519  -0.5713104766  -1.8035238078
H   -5.0875017091  -0.6867938472  -0.0549789573
H   -5.6774966376   0.7315585122  -0.9031123803
H    0.3406407330  -1.9064396555   2.0021566424
H    3.3453367501  -1.4945399566  -1.8770674796
H    2.1706994448  -3.4979308516   1.7272211759
H   -0.6550054207   3.4717760473  -0.8504821946
H   -3.2241922869   4.0481514724   2.3518831147
*