! 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   0.7627097413  -0.9206251355  -2.1364896238
Cl   5.6279523653  -0.7193397281   0.0225583589
O   -1.0888502786  -0.4379782809   0.0756628942
O   -0.5557825192   0.9674167245   1.7395450594
N   -1.9726586428   2.1069889836  -0.5019375292
N   -2.5327611094   2.9030800612   0.4123074480
N   -4.1022386670   1.9838567206  -0.8946825986
C   -0.2567451039   0.6182465355   0.4156231429
C   -1.5185242000  -1.0854360633   1.2656213432
C   -1.5060418743   0.0588748723   2.2682849202
C   -2.8759900281  -1.7132085330   1.0453824477
C   -0.5658460008   1.8123824798  -0.5001698963
C    1.2204268775   0.2492146927   0.2990730588
C   -2.8780813561  -2.8313145931   0.0105720730
C    1.7490399327  -0.4268372168  -0.8000450669
C    2.1095535213   0.6266520241   1.3010201299
C   -4.2637514905  -3.4214362123  -0.1965200324
C    3.0989136606  -0.7328081436  -0.8899188789
C    3.4622945981   0.3401885243   1.2339398045
C   -2.9199254962   1.5581213889  -1.2664956497
C    3.9447884125  -0.3453420952   0.1338293369
C   -3.8071110905   2.8031156287   0.1350250506
H   -0.7896179953  -1.8549795962   1.5538707897
H   -2.4848436950   0.5440661849   2.3476724987
H   -1.1966432261  -0.2600997193   3.2644810615
H   -3.5862586944  -0.9312515304   0.7563423960
H   -3.2223484795  -2.1037005446   2.0076379737
H   -0.2545732224   1.6102307909  -1.5239074090
H   -0.0210353135   2.6910653109  -0.1588353795
H   -2.1873961740  -3.6184954863   0.3253819408
H   -2.4983776852  -2.4529457865  -0.9412984158
H    1.7422899949   1.1618636979   2.1648584742
H   -4.9682888021  -2.6659193937  -0.5478501268
H   -4.2494189844  -4.2227153404  -0.9364353554
H   -4.6646891410  -3.8370616507   0.7293721895
H    3.4803886248  -1.2661057240  -1.7495860950
H    4.1228348132   0.6491747798   2.0320566705
H   -2.7019574336   0.8736505644  -2.0709473569
H   -4.5548138461   3.3447658882   0.6935576291
*