! 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   2.6680785999  -1.8197398514   2.3172920081
Cl   0.2860044029   1.3738014712  -1.3094811306
Cl   4.5967265059  -1.4916928075  -2.6692176961
O    0.5804096475   0.0646278792   1.3030167618
O   -3.3063885630   1.0531096557  -1.1571793622
N   -2.1913685855  -0.1984446529   0.3539004669
N   -2.5997835702   2.1157876003   0.7070883688
N   -3.2525024450   4.0831446473   1.4629822563
C   -2.3227411300  -1.3619287722  -0.5192571388
C   -1.7550510416  -0.4644898996   1.7114787527
C   -3.6835395884  -2.0427794509  -0.4276928133
C   -0.3139687302  -0.9251682311   1.8222027996
C   -2.7164293623   0.9511264700  -0.1002737906
C   -3.7307851659  -3.2948038868  -1.2895909631
C    1.5028963762  -0.3171407674   0.4034361407
C   -1.5463854986   2.6258386807   1.4388014472
C   -3.5913216359   3.0544929819   0.7493102027
C    2.5348216482  -1.2056517337   0.7120213899
C    1.4896431888   0.2199344580  -0.8843490553
C   -1.9747701667   3.8318710943   1.8911076542
C    3.4856679254  -1.5809208808  -0.2214111635
C    2.4373752050  -0.1249593207  -1.8328687336
C    3.4191015264  -1.0376112396  -1.4921304543
H   -2.1123315278  -1.0643118292  -1.5466227288
H   -1.5431660099  -2.0739662054  -0.2444045593
H   -2.3667784407  -1.2679372200   2.1336844632
H   -1.9267896444   0.3994642320   2.3473158489
H   -4.4644229760  -1.3480497710  -0.7417474562
H   -3.8952183851  -2.3068317001   0.6122344556
H   -0.1009675701  -1.0897980491   2.8786200867
H   -0.1680287463  -1.8766211611   1.3077387149
H   -4.7083604177  -3.7740447632  -1.2319890996
H   -3.5406192558  -3.0640041046  -2.3394074514
H   -2.9867756840  -4.0278810783  -0.9719853653
H   -0.5998723551   2.1285827344   1.5444037677
H   -4.5371840342   2.9115296489   0.2511771519
H   -1.4269207651   4.5369613842   2.4965415981
H    4.2692294828  -2.2757003562   0.0467970947
H    2.3990158774   0.3083668938  -2.8225508442
*