! 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  -4.5508107222  -0.2065144410  -0.3819335738
O    0.9714429079  -0.2949909012   1.5586327940
O    4.3395897714   1.6958418992  -1.8632645846
O    3.3122264876  -0.0627270095  -2.7648796415
C    2.4634127536  -1.0387912414  -0.2427366325
C    1.9289961460  -1.2669176174   1.1600074985
C    3.1479925445   0.3097231354  -0.3902670637
C   -0.2831305977  -0.3350580929   1.0656254978
C   -1.0995864009   0.7574968850   1.4012766037
C   -0.7923398300  -1.3723545528   0.2917893083
C   -2.4094602709   0.7739015746   0.9471149152
C   -0.5630180881   1.8816132924   2.2334341049
C   -2.1066033892  -1.3398519556  -0.1560331806
C    3.5937960989   0.5972826398  -1.7949662942
C   -2.9070390531  -0.2653879308   0.1737579431
H    1.6657669857  -1.1420140813  -0.9802443775
H    3.1756407088  -1.8420660488  -0.4471452781
H    2.7352725863  -1.1780308137   1.8895892715
H    1.5244530268  -2.2785911782   1.2603102521
H    4.0150456439   0.3804264436   0.2731026493
H    2.4811266204   1.1248287072  -0.0912969036
H   -0.1876736533  -2.2263910679   0.0206271683
H   -3.0457227228   1.6122028730   1.2008820019
H   -0.2007757540   1.5339673889   3.2021448461
H    0.2717130312   2.3858163380   1.7428783708
H   -1.3345293633   2.6277391897   2.4185165465
H   -2.4849945542  -2.1547213266  -0.7577670048
H    4.5900926054   1.8682406869  -2.7837013815
*