! 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  -2.7773444203  -2.5012052863   1.1172407179
Cl  -4.3053156298   2.3791383823  -0.6937268107
O   -0.3757743899  -1.9139794837  -0.1796359587
O    1.3616516797  -0.4154691351   1.2383512150
N    2.7983582922  -0.2873755993  -0.5279960934
C    0.9399426531  -1.8128152583  -0.6684682878
C   -1.2261838488  -0.8878725427  -0.3399314225
C    1.7104104536  -0.7519192642   0.1260976251
C    1.5874258754  -3.1741604227  -0.4850126922
C   -3.4722825273  -0.0518902030   0.1654484105
C   -2.4866859986  -1.0315681483   0.2521415511
C   -0.9508347821   0.2697649570  -1.0528960098
C    3.7769462320   0.6165187450  -0.0946192354
C   -3.1405690854   1.1011693635  -0.5516299754
C   -1.9100153649   1.2637353311  -1.1542714629
C   -4.8206953240  -0.1886071127   0.7989840325
C    3.6783564330   1.3805218857   1.0681588737
C    4.9025731724   0.7560758257  -0.9093363547
C    4.6992646694   2.2646817269   1.3921628908
C    5.9104433595   1.6424383152  -0.5732429972
C    5.8162463085   2.4050916111   0.5832549280
H    0.9364846625  -1.5615984307  -1.7367593901
H    2.6027073639  -3.1703321313  -0.8795975228
H    1.0252889931  -3.9340373950  -1.0272023424
H    1.6305283810  -3.4547968892   0.5674797465
H    2.9598873544  -0.6659600235  -1.4500056747
H    0.0011924848   0.4283073896  -1.5405404954
H   -1.6840167807   2.1655104482  -1.7061087878
H   -4.9626835826  -1.1563031261   1.2697590361
H   -5.6127500547  -0.0618572181   0.0604552061
H   -4.9685757015   0.5748926600   1.5642523097
H    2.8217962223   1.3030734911   1.7176887863
H    4.9898480626   0.1640295961  -1.8132737740
H    4.6085127346   2.8545781145   2.2952480130
H    6.7729218123   1.7344916378  -1.2204942027
H    6.6022640202   3.0998207768   0.8479281717
*