! 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  -5.2174183738   4.7290951766   0.9028237695
O    1.6520677331   1.3073438701   0.2929166585
O    1.0277831603  -2.5924768702   1.4652054931
N    1.9475048877  -0.9267218915   0.2283643329
N    2.4648572046  -3.1830755574  -0.1833704766
N    3.7493263664  -4.9337478533  -0.5368657870
C    1.1590391731   0.1440182916   0.9089418819
C    3.0540727980  -0.3299416318  -0.5706983965
C    3.0088974178   1.0875100922   0.0070040277
C   -0.3394775655   0.0590737163   0.6318509465
C    1.4323595069   0.1996882120   2.4111076987
C    4.4225031977  -0.9451935971  -0.3161057121
C    2.7516568775  -0.2733994096  -2.0648807630
C   -0.7311094760  -0.0178207504  -0.8359317994
C    1.7536075350  -2.2040855748   0.5734459257
C   -2.2448401600  -0.1402067338  -1.0366228495
C   -3.0079059704   1.0620194189  -0.5553280502
C    2.3186248267  -3.5082310285  -1.5097288712
C    3.3204992646  -4.0911299379   0.3570521552
C   -2.9866107709   2.2502969156  -1.2837301807
C   -3.7299386310   1.0374896796   0.6340326486
C    3.1245688055  -4.5876606103  -1.7037437453
C   -3.6602247970   3.3795329769  -0.8456341627
C   -4.4115974865   2.1571794476   1.0910785077
C   -4.3690641129   3.3224287338   0.3446400657
H    3.6355603356   1.1694319605   0.9044563392
H    3.3482307431   1.8366212287  -0.7079707555
H   -0.7887073018   0.9437788993   1.0930263821
H   -0.7504203573  -0.7960915603   1.1708929954
H    0.9727975420  -0.6289883130   2.9424069607
H    1.0127796828   1.1246077085   2.8094311759
H    2.4995762590   0.1905348112   2.6371461667
H    5.1852171249  -0.2483917023  -0.6694850509
H    4.5820971536  -1.8777947612  -0.8544764138
H    4.6040070177  -1.1139286563   0.7459174441
H    1.7857548933   0.1872125825  -2.2691304813
H    3.5162822483   0.3259135892  -2.5615272732
H    2.7700593024  -1.2541754472  -2.5340327307
H   -0.3675808808   0.8609687882  -1.3737963857
H   -0.2630411105  -0.8862547719  -1.3062663919
H   -2.6080481272  -1.0362496227  -0.5268554868
H   -2.4399786794  -0.2903518518  -2.1013389243
H    1.6332366168  -2.9982905719  -2.1638090932
H    3.6028508219  -4.0606910599   1.3983215788
H   -2.4380942591   2.3007912345  -2.2171892544
H   -3.7691350152   0.1281180310   1.2218040681
H    3.2741256461  -5.1394343904  -2.6188024725
H   -3.6341757527   4.2899218248  -1.4294614548
H   -4.9678416130   2.1141606147   2.0179087394
*