! 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  -0.2653455963  -1.1284551186   2.8719050158
Cl  -4.5101411781  -1.9366529035  -0.2960703569
O    3.3601736904  -0.6470239700  -0.2216986501
N    2.0928593236  -1.1329972748  -0.2599743602
N    0.0066212638   3.4473363706  -1.4295936698
C    1.5287759375   0.9587535335   0.9418814490
C    1.2432648699  -0.3824091202   0.3138485966
C   -0.1668319705  -0.8159586376   0.1866720497
C    1.4293360160   2.0243751858  -0.1186558103
C   -0.9608041448  -1.1262316584   1.2872158784
C   -0.7529784706  -0.8873477457  -1.0739826598
C    2.5409959868   2.5020365335  -0.8024651424
C    0.1880557866   2.5433351625  -0.4775071931
C   -2.2947921465  -1.4737214913   1.1552404382
C   -2.0831699375  -1.2343878588  -1.2386424694
C   -2.8434859767  -1.5162576410  -0.1163524508
C    2.3638194428   3.4545305842  -1.7934143845
C    1.0783771585   3.8890430699  -2.0759335301
C    4.2505654929  -1.5601361266  -0.8349683455
H    0.7999462470   1.1588295268   1.7273388382
H    2.5133775835   0.9711757438   1.4086097240
H   -0.1576049349  -0.6540856876  -1.9465028723
H    3.5327423820   2.1423757315  -0.5602194695
H   -0.7051679241   2.2127654677   0.0441859012
H   -2.8897203835  -1.7140246402   2.0251788726
H   -2.5150453863  -1.2760232498  -2.2285278283
H    3.2061683490   3.8556181912  -2.3404081329
H    0.9086373140   4.6276642083  -2.8513605625
H    4.2716192283  -2.5194697046  -0.3128257230
H    5.2375469837  -1.1050431625  -0.7771344276
H    3.9985581563  -1.7284557431  -1.8844474957
*