! 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  -3.8122305233   2.9874597960   0.6496690845
N   -0.2509510993  -2.1200431088  -0.4627627829
N    0.1704251516  -2.2991484241  -1.7181427277
N   -2.0670170583  -2.3239469163  -1.6315199148
N    2.4436550602  -0.2046574266   2.9448005863
C    1.1705873325  -0.4188680483   0.6694531243
C    2.1656726349  -0.0969654123  -0.4685536386
C    0.6622981304  -1.8904592711   0.6225576328
C    3.5039477942  -0.8228922901  -0.3813784269
C   -0.0416979413   0.5068692591   0.6769212587
C    4.3304846686  -0.6843983071  -1.6571589632
C    1.8854605120  -0.2852816289   1.9429804168
C   -0.7631388627   0.7208859118   1.8478262851
C   -0.5131885087   1.0717633419  -0.5031658033
C    4.6664080955   0.7515454778  -2.0303973625
C   -1.9192462650   1.4845664795   1.8497353600
C   -1.6708347650   1.8347886524  -0.5186672238
C   -1.5869302398  -2.1295328474  -0.4284471648
C   -2.3665655191   2.0356282217   0.6604672893
C   -0.9511356449  -2.4170273450  -2.3813151986
H    2.3285025454   0.9833521548  -0.4683048384
H    1.6887882531  -0.3462565773  -1.4177446836
H    0.1376744154  -2.1272644013   1.5473315650
H    1.4949557450  -2.5853773879   0.5326734466
H    3.3513761600  -1.8884776433  -0.1884058848
H    4.0834212037  -0.4381726694   0.4630742678
H    3.7999108593  -1.1637590548  -2.4851954422
H    5.2576595424  -1.2476899024  -1.5261149528
H   -0.4351597424   0.2957813014   2.7885487505
H    0.0091402030   0.9294898557  -1.4385496581
H    3.7793932385   1.3263701259  -2.3004258471
H    5.3405176063   0.7845138255  -2.8874000214
H    5.1591311020   1.2734525817  -1.2070869250
H   -2.4598864828   1.6422946480   2.7725643634
H   -2.0202107464   2.2624602175  -1.4481970712
H   -2.1515885560  -2.0044964131   0.4823260705
H   -0.9654200446  -2.5835530726  -3.4472517320
*