! 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   1.6385356012   1.2084365961  -1.4944792099
Cl   4.1748756474  -3.2005227667   0.0857704643
O   -1.2318213006   0.5759204427  -1.1838804497
O   -1.9371243240  -0.6344037920   0.5562332292
N   -1.8728665323   2.1592232421   1.0590910439
N   -2.0296461724   3.1899265197   0.2262450801
N   -3.8610422906   2.9131516873   1.4845438773
C   -0.8674871197   0.1423402505   0.0843908003
C   -0.6944461127   1.3372991145   1.0259200215
C    0.4163179769  -0.6876623860   0.0582862654
C   -2.0126781507  -0.4645975497  -1.7441644336
C   -2.7814288976  -0.9772956015  -0.5383715379
C    1.5668341906  -0.2840241012  -0.6191525742
C    0.4794495077  -1.8894479905   0.7573248705
C    2.7231326297  -1.0501379809  -0.6187491877
C    1.6214028571  -2.6721845541   0.7786465102
C   -2.9744562246   2.0004936787   1.7983255108
C    2.7366162133  -2.2430108529   0.0819479867
C   -3.2318586014   3.6128011525   0.5179403839
H    0.1465931303   1.9598867579   0.7286023279
H   -0.4903068221   0.9676439638   2.0305158066
H   -1.3800006060  -1.2417817070  -2.1867915415
H   -2.6485125899  -0.0477345321  -2.5235438389
H   -3.7466654476  -0.4781341428  -0.4221612990
H   -2.9453618468  -2.0554507473  -0.5657675525
H   -0.3881277726  -2.2317725355   1.3034154095
H    3.5987686022  -0.7154639495  -1.1577708343
H    1.6343150357  -3.6014166032   1.3310839887
H   -3.0757946066   1.2307391024   2.5470422707
H   -3.6723965841   4.4631355258   0.0206446267
*