! 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   0.6232684981   0.4233116264  -2.8910500736
Cl   3.7769476656  -2.4928778191   0.2967781618
O   -1.2508383829   1.9104169107   0.7986042463
N   -2.4464794514  -0.7194077733   0.3258637590
N   -3.0097986761  -1.6768377145   2.2285403925
C   -0.9754707164   1.1629011050  -0.3541101165
C   -2.2120474149   0.3127479285  -0.6535555020
C    0.2512529028   0.2907259889  -0.2017114701
C    1.0172334516  -0.1169088762  -1.2885726263
C    0.6130710929  -0.1999157302   1.0499476613
C   -2.0348301490  -2.0211088078   0.2432186693
C   -3.0178007610  -0.5649841531   1.5419745436
C   -0.3431174480   2.9658658495   1.0914908422
C    2.1026595004  -0.9687747337  -1.1537575229
C    1.6911648963  -1.0501482422   1.2199480231
C    2.4281975127  -1.4279694627   0.1101839966
C   -2.3955903976  -2.5957606878   1.4256662140
C   -0.2368576210   3.9947552468   0.0060622231
C   -0.8183351165   5.1857661360   0.0703983163
H   -0.8552755933   1.8213588457  -1.2221120885
H   -3.0856314900   0.9626714568  -0.7115288113
H   -2.0988022997  -0.1569259544  -1.6293537754
H    0.0383659436   0.0872356080   1.9205797627
H   -1.5398761317  -2.4147582067  -0.6295153194
H   -3.4327946038   0.3767825132   1.8662967622
H   -0.7217267894   3.4236162058   2.0062756188
H    0.6534935707   2.5684810221   1.3171415007
H    2.6791499264  -1.2658408239  -2.0187410841
H    1.9460516059  -1.4148890308   2.2052730454
H   -2.2482978773  -3.6188466369   1.7361632171
H    0.3676326374   3.7499827273  -0.8624350452
H   -0.7084872822   5.9118425160  -0.7254210823
H   -1.4208025419   5.4856337369   0.9202964577
*