! 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  -5.6216349080  -0.3028068950   0.5251479156
O    2.7654014125  -0.5756140070  -1.6920061463
O    0.0749844770  -0.8760840597  -0.7197636727
N    1.1227923045   1.1204499599  -0.1583208095
N    1.1459507711   1.9657096671   0.8776588451
N    1.0614447119   3.0961212583  -1.0497432829
C    3.5642662890  -1.0134500510   0.6052625119
C    2.4005101092  -1.0225709722  -0.4116194241
C    1.1063790408  -0.3166642668   0.0455955121
C    4.7342409899  -1.7831380935  -0.0176978744
C    4.0401685513   0.3927557493   0.9760264692
C    3.1326114324  -1.7507101275   1.8749017118
C    1.0631677126   1.8113092207  -1.3055737829
C   -1.2226699005  -0.6830507544  -0.3653306771
C    1.1190229517   3.1360270432   0.2970192455
C   -1.6466130197   0.0472969136   0.7385106263
C   -2.1621788041  -1.2902998039  -1.1950660733
C   -3.0046644150   0.1606051975   1.0086506136
C   -3.5125691240  -1.1767404766  -0.9240525731
C   -3.9292228852  -0.4489685882   0.1815730682
H    2.1132311099  -2.0732110749  -0.5301730104
H    0.9401355065  -0.4708644484   1.1143562097
H    5.1486187550  -1.2818716602  -0.8934423830
H    5.5442496156  -1.8820745149   0.7072528058
H    4.4407015857  -2.7912509602  -0.3199122233
H    4.9375268729   0.3241690920   1.5939934737
H    3.3008242267   0.9506249264   1.5493738089
H    4.3132193043   0.9987385241   0.1073573392
H    2.3550853872  -1.2256100545   2.4323694446
H    3.9814069027  -1.8591048732   2.5522529135
H    2.7624952224  -2.7544891248   1.6531735540
H    3.3549035606   0.1827974169  -1.6193280026
H    1.0034365490   1.3544305994  -2.2798711590
H    1.1351493257   4.0534297405   0.8645048457
H   -0.9576572946   0.5446741250   1.4068817302
H   -1.8310679283  -1.8590552121  -2.0546628796
H   -3.3253199387   0.7324210549   1.8688167153
H   -4.2320710982  -1.6556677052  -1.5741508327
*