! 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  -5.3653025117   4.5123318119   1.2501747164
O    1.7818167541   1.2562223451   0.6889594662
O    0.5390292544  -2.6866130802   0.6817638750
N    1.9271249910  -0.9553947992   0.2123793056
N    2.4543917434  -3.1491684993  -0.4456928806
N    4.0657447512  -4.6244143497  -0.7027273056
C    1.1185035486   0.0429705792   0.9662381484
C    3.0806875428  -0.3030893256  -0.4544473498
C    2.5447708944   1.1262558257  -0.4836639566
C   -0.3470575629   0.1242017828   0.5205149636
C    1.2016476600  -0.1943140114   2.4669773067
C    4.3441032398  -0.3678280484   0.3993957730
C    3.3562838605  -0.7647947812  -1.8782815615
C   -0.6037638247   0.2758721006  -0.9727836923
C    1.5591859682  -2.2391704854   0.2027227113
C   -2.0912903656   0.1576611981  -1.3219002673
C   -2.9333769229   1.2307389022  -0.6907359729
C    2.1725761922  -3.8321933979  -1.6022990044
C    3.5948636402  -3.6838251128   0.0643954028
C   -2.9350274256   2.5247164278  -1.2083346802
C   -3.7041815934   0.9777755661   0.4402160073
C    3.1927925375  -4.7204001623  -1.7511444046
C   -3.6773389797   3.5375099352  -0.6213536436
C   -4.4536133291   1.9776165039   1.0442843332
C   -4.4321058187   3.2534249818   0.5064055482
H    3.3474062270   1.8647788315  -0.4659749666
H    1.9470755429   1.3001565529  -1.3858426963
H   -0.7685548126   0.9818245710   1.0524381820
H   -0.8806613775  -0.7494252512   0.8935222564
H    2.2383682984  -0.2503090864   2.8000562666
H    0.6972836334  -1.1139221970   2.7565348838
H    0.7182993456   0.6274226952   2.9971222339
H    5.1335806977   0.2201094420  -0.0708724263
H    4.7223890518  -1.3828416038   0.5011371700
H    4.1826493168   0.0353645062   1.3994859779
H    3.9480865183   0.0046609136  -2.3780012302
H    3.9338655790  -1.6852294232  -1.9324325447
H    2.4381345687  -0.8911755583  -2.4531948183
H   -0.2349191023   1.2401824606  -1.3313688999
H   -0.0689780706  -0.4923777825  -1.5382009560
H   -2.4558055191  -0.8260659804  -1.0152204985
H   -2.1973394204   0.2030998550  -2.4084974855
H    1.3087422482  -3.6144931910  -2.2080084122
H    4.0083630029  -3.3681075938   1.0091072750
H   -2.3507803077   2.7523693038  -2.0923460961
H   -3.7274800103  -0.0191487243   0.8637315052
H    3.3428856540  -5.4227517743  -2.5560428509
H   -3.6688153006   4.5338786255  -1.0426667906
H   -5.0460599977   1.7585286115   1.9224961048
*