! 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  -4.0890637165  -2.2313350605  -0.1272009585
O    1.8334638200   0.6238766444  -1.2446138692
N    0.3708891468   2.5716254307   0.4088623780
N    0.2945145202   2.9184244013  -0.8789623744
N   -1.3362110221   3.9050447219   0.2824047136
C    2.5319331890  -1.9183065263  -0.1454838063
C    3.3588551855  -2.0217509188  -1.3842245028
C    3.8127877395  -2.6985845646  -0.1273733908
C    2.4368806150  -0.6376169411   0.6542032605
C    1.3841549401   0.3369237335   0.0577378844
C    2.2266547166  -0.9857943185   2.1246186705
C    1.3773427610   1.6439614846   0.8774875283
C   -0.0058999200  -0.2883208318   0.0243841632
C   -0.4854081516  -0.8624225127  -1.1500971402
C   -0.8250260040  -0.3314620646   1.1513011070
C   -1.7345976635  -1.4619606076  -1.2050116490
C   -2.0772739910  -0.9261764946   1.1153413818
C   -0.6102576428   3.1640409229   1.0879193551
C   -2.5241206061  -1.4887759173  -0.0681053805
C   -0.7435283009   3.7173409896  -0.9088565003
H    1.6286379482  -2.5213613368  -0.1309050466
H    3.9016401202  -1.1436262117  -1.7091259494
H    2.9873505097  -2.6360820994  -2.1952467096
H    3.7558734817  -3.7783963932  -0.0685838467
H    4.6605536128  -2.2732014588   0.3981355261
H    3.3988823161  -0.1157797101   0.5699795098
H    3.0450536831  -1.6233475104   2.4615294453
H    1.3024247726  -1.5412357199   2.2903380960
H    2.2212676867  -0.1151982716   2.7815595896
H    2.3599174426   2.1148320775   0.8060460675
H    1.1766997887   1.4766493886   1.9324522549
H    1.3235094485   1.3786664949  -1.5810922897
H    0.1199066335  -0.8529504428  -2.0454963951
H   -0.5033683060   0.0963857463   2.0917535783
H   -2.0831837997  -1.9013661286  -2.1300295075
H   -2.6933699620  -0.9430738377   2.0041525628
H   -0.7509017651   3.0356421009   2.1496636072
H   -1.0825341248   4.1769151110  -1.8241105999
*