! 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   3.9723284709   3.3528342703   1.0844446012
O   -2.5694909450  -0.7854094969  -1.2981337738
N   -0.9281308901   1.1721486731   0.2075620324
N   -1.3105323788   1.6575331993  -0.9757287390
N   -0.2337278036   3.2291527068   0.1867586765
C   -1.4991319298  -1.1735062262  -0.4621249679
C   -1.8286585691  -2.5630071535   0.1140258267
C   -0.2709227691  -1.4766748646  -1.3574970498
C   -1.7256395629  -3.4728821482  -1.1148507343
C   -0.6911346800  -2.7992444669  -2.0384822325
C   -3.0783861867  -2.7315712326   0.9944188760
C   -1.3112180121  -0.1533180151   0.6603438367
C    1.0756635142  -1.6427221577  -0.6375387712
C   -4.4218249040  -2.6170714203   0.2802028243
C   -3.0010665745  -4.0644819781   1.7379893494
C    1.7722533857  -0.3825740114  -0.2001385277
C   -0.2919310010   2.1223723533   0.8914723718
C    2.0172641771   0.6531781758  -1.1004578655
C    2.2365171989  -0.2370720609   1.1032163597
C    2.6900499117   1.8000572366  -0.7152650197
C    2.9189873691   0.9024025037   1.5079830989
C   -0.8687364500   2.8912182859  -0.9479423107
C    3.1368200547   1.9159142978   0.5918968546
H   -0.9844519577  -2.8086830146   0.7695972878
H   -0.1613442294  -0.6873418839  -2.1063951476
H   -2.6883211702  -3.5582939995  -1.6200670551
H   -1.4291122578  -4.4850981466  -0.8377588443
H    0.1766038709  -3.4393168628  -2.2067903144
H   -1.1211932743  -2.6040596497  -3.0208833540
H   -3.0485890248  -1.9471906180   1.7592847778
H   -0.5570121168  -0.4867078672   1.3728306322
H   -2.2498492010  -0.0582516893   1.2107307855
H    1.7445142091  -2.1626382948  -1.3303779068
H    0.9743785981  -2.3148719565   0.2186291471
H   -2.3513582156   0.0923801931  -1.6476744681
H   -4.5491375800  -3.3919481187  -0.4784842003
H   -5.2354738953  -2.7403270824   0.9982839375
H   -4.5547863133  -1.6531754859  -0.2048544126
H   -2.0780793559  -4.1517485666   2.3156646457
H   -3.0428373091  -4.9142722360   1.0527229652
H   -3.8330010363  -4.1715032759   2.4368721864
H    0.1077309864   1.9657465383   1.8807778114
H    1.6803593516   0.5719781603  -2.1266838347
H    2.0686024697  -1.0278995716   1.8251873647
H    2.8612185913   2.5951574537  -1.4283775569
H    3.2696139074   0.9938341698   2.5273842970
H   -1.0102701582   3.5667388250  -1.7771691567
*