! 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  -3.3432284352   3.3149619712  -3.1729882418
O    1.7629797965   1.1744150227   0.7585559055
O    2.3144919992  -2.6749405050  -1.3487663392
N    1.6460755022  -0.8712026151  -0.1501688576
N    1.6483241763  -3.0276345408   0.7917399846
N    2.0860210210  -4.5466111148   2.3217069366
C    1.3578761883  -0.1243470588   1.1134225073
C    1.7938572215   0.0787860578  -1.2818121609
C    1.3882217692   1.3773158270  -0.5809912034
C   -0.1472514786  -0.1538439589   1.4158192214
C    2.2010095254  -0.5321821716   2.3070037301
C    3.2446836765   0.1829592539  -1.7475666937
C    0.8511467810  -0.2217435893  -2.4370433332
C   -0.6118728642   0.9045875878   2.4124404792
C    1.8955116913  -2.1707937346  -0.3281369183
C   -2.1216676164   1.1589100760   2.3167585091
C   -2.5026626874   1.7114096088   0.9713866021
C    0.4343533421  -3.4519738771   1.2736863907
C    2.6052298751  -3.7391607449   1.4427396497
C   -3.1254285793   0.9211270423   0.0097578389
C   -2.1613445158   3.0173858674   0.6234782813
C    0.7318348343  -4.3823005242   2.2219232237
C   -3.3908021556   1.4036389591  -1.2645920612
C   -2.4201947263   3.5198757891  -0.6419140913
C   -3.0296856101   2.7020376279  -1.5812097228
H    1.9209496395   2.2444584442  -0.9707345508
H    0.3120392718   1.5736474959  -0.6776663119
H   -0.4165909310  -1.1383906278   1.7978524450
H   -0.6915733470  -0.0419844850   0.4754698160
H    1.8380708027  -1.4380524019   2.7860966143
H    2.1518042225   0.2607154042   3.0543241510
H    3.2484900979  -0.6636838431   2.0350481318
H    3.6065829400  -0.7433472323  -2.1868891939
H    3.9061923769   0.4553834239  -0.9235835615
H    3.3243006954   0.9613966078  -2.5080617917
H    1.1556273852  -1.0957016621  -3.0092404185
H   -0.1713062170  -0.3768666256  -2.0875131651
H    0.8391603756   0.6299789329  -3.1200576437
H   -0.3693887821   0.5962843009   3.4323213358
H   -0.0906278760   1.8492946034   2.2441838292
H   -2.4089015957   1.8609432474   3.1032568385
H   -2.6696983435   0.2331182694   2.5094404986
H   -0.5041655315  -3.1016757133   0.8801342159
H    3.6567168235  -3.6019713170   1.2416884200
H   -3.4058226700  -0.0975271054   0.2505345803
H   -1.6791485604   3.6607192607   1.3504338292
H    0.0406917931  -4.9497659930   2.8254546732
H   -3.8693776853   0.7686058237  -1.9981512505
H   -2.1457484402   4.5363314141  -0.8906891421
*