! 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   4.5538355182   4.6805283556   1.1332365376
O   -1.7736397541  -1.4720812812   1.5448647517
N   -1.5302555034  -3.4184255039  -0.6355823822
N   -2.3558131788  -3.8851424534   0.3059025592
N   -2.5505412854  -5.1006011314  -1.5555246399
C   -1.2716937943  -1.0965434696   0.2769963003
C   -2.3724389337  -0.3506005585  -0.5794791415
C   -0.2188986415  -0.0103725600   0.6052984005
C   -2.1191826048   1.1531200677  -0.2793368956
C   -1.1045241583   1.2085266232   0.8569412465
C   -0.6176404430  -2.3186899210  -0.3826560892
C    0.8308990360   0.2340598030  -0.4916084408
C   -3.7922525821  -0.7302172510  -0.1537400119
C   -2.2576543815  -0.5955112779  -2.0865552252
C    1.7808094345   1.3367942371  -0.1178255836
C   -1.6547162290  -4.1578832203  -1.7377498313
C    2.7415461467   1.1389958115   0.8719479671
C    1.7073452776   2.5896948735  -0.7182805196
C    3.5972716219   2.1570394132   1.2612929786
C    2.5552037818   3.6227293052  -0.3438453514
C   -2.9519530113  -4.8883538253  -0.2905879400
C    3.4931643635   3.3969733727   0.6492714826
H    0.3196134732  -0.3127507886   1.5088482002
H   -3.0444086798   1.6788856062  -0.0351067204
H   -1.7135193068   1.6515903305  -1.1646416495
H   -0.5484643452   2.1467801791   0.8829068140
H   -1.5998215214   1.1130068379   1.8246418362
H    0.1821994500  -2.6830183858   0.2672873653
H   -0.1672362460  -2.0722618223  -1.3413785279
H    0.3615113250   0.4759849901  -1.4471937157
H    1.4088691894  -0.6791631990  -0.6540571713
H   -4.0031690127  -0.4568081694   0.8799908989
H   -4.5135141077  -0.1998298332  -0.7789321575
H   -3.9984633630  -1.7962618034  -0.2688631132
H   -2.9387948609   0.0740488117  -2.6160788399
H   -1.2596807758  -0.3983465117  -2.4800994565
H   -2.5350364491  -1.6108258876  -2.3742212870
H   -2.3101376864  -2.2733223757   1.4455312780
H   -1.0816118326  -3.9772589439  -2.6338928061
H    2.8302655023   0.1713429703   1.3520278080
H    0.9750323985   2.7718398148  -1.4959070076
H    4.3357420783   1.9829193759   2.0324572301
H    2.4792721574   4.5899143225  -0.8225044332
H   -3.7007046060  -5.4844462535   0.2072078940
*