! 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   0.4122211682  -0.1816419623  -3.2149527733
Cl   3.8886013106  -2.2873653359   0.2651850270
O   -1.1870049268   2.0583590055   0.2374002209
N   -2.3774369641  -0.5778886276   0.3388267089
N   -2.8798496558  -1.1075762843   2.4178294343
C   -0.9725872192   1.1261172429  -0.7843752487
C   -2.2049133859   0.2223280600  -0.8489165418
C    0.2814291237   0.3116899667  -0.5467994047
C    0.9550809060  -0.3404463562  -1.5737278767
C    0.7629282455   0.1288673701   0.7463417032
C   -1.8950188766  -1.8413008400   0.5457511423
C   -2.9509574077  -0.1828522449   1.4976689961
C   -0.3654599478   3.1975578959   0.1612777093
C    2.0640474936  -1.1399073086  -1.3433330021
C    1.8678434461  -0.6607686111   1.0109442945
C    2.5092668918  -1.2913035973  -0.0418739272
C   -2.2193687625  -2.1510371641   1.8331921197
C   -0.5012859017   4.0318016500   1.3869212539
C   -1.2250328833   3.7433088536   2.4605120520
H   -0.9070547606   1.6324284614  -1.7568693060
H   -3.0922705105   0.8379084704  -0.9989631177
H   -2.1290170041  -0.4418711403  -1.7085412714
H    0.2632672516   0.6149117256   1.5738019982
H   -1.3839029305  -2.3970210816  -0.2231054312
H   -3.4164921232   0.7845960956   1.6048281142
H    0.6930223568   2.9270432641   0.0373688607
H   -0.6255959350   3.8014425886  -0.7205550127
H    2.5665438210  -1.6327484189  -2.1639536281
H    2.2156149995  -0.7847960986   2.0270694157
H   -2.0153251756  -3.0681890744   2.3640353521
H    0.0677729559   4.9556394615   1.3546528611
H   -1.2526281208   4.4216911164   3.3034786143
H   -1.8106917181   2.8378161007   2.5508043875
*