! 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   0.6082574611  -1.3599406327   2.4640998484
Cl   4.4818472828  -1.3863992973  -1.1909877246
O   -1.9572769454   0.1973642264  -0.9079262951
O   -1.9287415701  -1.0708829872   0.9387858430
N   -0.3891369566   2.2171355111   0.6443861811
N   -0.7380788014   2.9543911526  -0.4111078891
N    1.3418380599   3.4623797166   0.2469764319
C   -1.2391818503  -0.0662120167   0.2637733637
C   -3.0165437719  -0.7494491647  -1.0510878254
C   -2.6151969834  -1.8206368180  -0.0477984981
C   -1.2387635522   1.1803388806   1.1648819045
C    0.1902035616  -0.4746134334  -0.0945826635
C   -4.3586632925  -0.0915662030  -0.7691514104
C   -5.5350513223  -0.9921061099  -1.1121419510
C    1.0778358432  -1.0245317762   0.8292880867
C    0.6824998113  -0.2193328030  -1.3711296833
C    2.3938856475  -1.3135787873   0.5008287436
C    1.9915023514  -0.4963784855  -1.7266782376
C    0.8559982405   2.5233588796   1.0199861852
C    2.8396401852  -1.0420272947  -0.7803691628
C    0.3275683207   3.6864536887  -0.6110257162
H   -2.9972743176  -1.1328091547  -2.0754270924
H   -3.4547308199  -2.3292226774   0.4255062693
H   -1.9630097004  -2.5769805778  -0.4989168400
H   -0.8820953727   0.9273562986   2.1614349257
H   -2.2556351685   1.5601659406   1.2600929998
H   -4.4227235114   0.8273155665  -1.3573262489
H   -4.4111709132   0.2059096276   0.2828950143
H   -5.5405147511  -1.2582351441  -2.1708270655
H   -5.5269193043  -1.9211945455  -0.5389184416
H   -6.4791766107  -0.4915198462  -0.8959963276
H    0.0294207745   0.2147792875  -2.1141719169
H    3.0594614789  -1.7386701615   1.2394022692
H    2.3387986287  -0.2818868518  -2.7277436736
H    1.3518136877   2.0522353584   1.8547985716
H    0.3729960971   4.4174993199  -1.4035620610
*