! 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   0.0232139085  -0.9655676517   2.4023566176
Cl   0.6343776411  -5.2961861426  -0.6379821271
O   -0.5581972637   1.2118751643   0.5448856230
O    0.3259349717   1.2857530220  -1.4895748131
N    1.8446117694   2.6801821622   0.4573631267
N    2.2756354849   3.4506638174  -0.5432108942
N    1.4930164548   4.7092143911   1.1360283575
C    0.5030495367   0.7380689684  -0.2223376558
C   -1.6684503182   1.4754681443  -0.3094222891
C   -1.0712747807   1.3263762147  -1.7160531785
C   -2.8276599812   0.5360849710  -0.0333834148
C    1.8244747673   1.2469739493   0.3564749860
C    0.5265162656  -0.7907218162  -0.2839226311
C   -4.0509163378   0.8708303518  -0.8794244644
C    0.3135911036  -1.6116093516   0.8222214728
C    0.8076276300  -1.4162249254  -1.4954022062
C   -5.2111289780  -0.0778718586  -0.6207677436
C    0.3434257989  -2.9950112408   0.7213611902
C    0.8457939904  -2.7937209722  -1.6247361340
C    1.3732973173   3.4420926462   1.4475580849
C    0.6038089214  -3.5736463387  -0.5079274554
C    2.0497043195   4.6563595472  -0.0910275579
H   -1.9814340694   2.5083697447  -0.1257229615
H   -1.4173635084   0.4077472263  -2.2058461269
H   -1.2923625842   2.1675334798  -2.3719207491
H   -3.0917244904   0.5950952482   1.0262597956
H   -2.5158481326  -0.4965029322  -0.2239145957
H    2.6543657377   0.9295328207  -0.2731340940
H    1.9860432102   0.8237030947   1.3471643717
H   -3.7937706583   0.8387531444  -1.9430831738
H   -4.3647298735   1.8988857338  -0.6744631851
H    1.0000498776  -0.8133231327  -2.3722617039
H   -6.0774227598   0.1767091107  -1.2327536080
H   -4.9385265244  -1.1097669322  -0.8510301127
H   -5.5261212846  -0.0465550813   0.4241439712
H    0.1673700749  -3.6082943137   1.5941863987
H    1.0606052398  -3.2441494376  -2.5837455550
H    0.9734023240   3.0351458086   2.3629658973
H    2.2991864381   5.5355567986  -0.6649660070
*