! 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  -4.3760126808  -1.7499833540   0.0206322165
Cl  -1.7631844223   1.6350918343   0.7011664850
O    1.0354010225   0.3775973189   1.5654163823
N    1.8369757846   0.3881900749  -0.5534440657
N   -0.8967755814   4.0429980695   0.3063702258
C    1.5956736443  -2.0342222245  -0.3266313354
C    2.4009493779  -0.9084030827  -0.5203664967
C    0.1238155829  -1.9375923253  -0.2325673170
C    2.2137647516  -3.2811844416  -0.2476623390
C    3.7752945633  -1.0412274257  -0.6724908328
C   -0.6226057047  -1.3728993318  -1.2633208317
C   -0.5468264720  -2.4430914918   0.8773870981
C    3.5853895588  -3.4148933070  -0.3966791297
C    4.3684512849  -2.2927598429  -0.6246595958
C    1.2178492194   0.9449939186   0.5088224245
C    0.8046460547   2.3665732004   0.2939918128
C   -2.0052006900  -1.3162377673  -1.1947858115
C   -1.9287192291  -2.3915827686   0.9625511767
C   -2.6468523351  -1.8252727746  -0.0779777323
C    1.7573518448   3.3406456311   0.0305498852
C   -0.5136878312   2.7963750368   0.4200700765
C    1.3699996125   4.6664350921  -0.0799924128
C    0.0288681257   4.9669951218   0.0690288284
H    1.6038371789  -4.1627003619  -0.0939462829
H    4.3811232192  -0.1555297255  -0.8181328128
H    1.9692885060   0.9421660961  -1.3869472925
H   -0.1277652061  -0.9834509490  -2.1437481040
H    0.0139811666  -2.8756462940   1.6961461592
H    4.0389108085  -4.3959355449  -0.3447182096
H    5.4390205831  -2.3867010416  -0.7498511786
H   -2.5716693413  -0.8802032123  -2.0063000908
H   -2.4344514305  -2.7854304483   1.8337834001
H    2.7996426906   3.0661985779  -0.0731476588
H    2.0914747458   5.4469020780  -0.2741901204
H   -0.3226330334   5.9884910981  -0.0071519944
*