! 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   1.9750565169  -0.0471456107   2.6259391503
Cl  -7.0507673374  -0.2727149041  -2.1707947918
O    3.3789957060   0.5858086378  -1.6090717957
O    3.9197654762   0.2364979635   0.5129747893
O   -2.3481764841   1.5966198980   0.7778243717
N    2.5746839381  -2.3835095284   0.3577285732
N    1.2899669441  -2.6928560240   0.5485881328
N    2.5561037920  -3.5633196255   2.1769957429
C    2.9597689874  -0.0669904161  -0.4434264374
C    4.1240817203   1.7476655848  -1.2330851570
C    3.0008055690  -1.5678321625  -0.7473064611
C    4.2645241657   1.5899021764   0.2886921754
C    1.5566359665   0.4019520594  -0.0533225770
C    5.4393584920   1.7636463971  -1.9774193291
C    1.0470439634   0.4260955291   1.2428463264
C    0.6897037090   0.7846485472  -1.0764618879
C   -0.2592528389   0.8135657144   1.5055596647
C   -0.6151540768   1.1745298711  -0.8429653075
C   -1.0865289695   1.1844006270   0.4615823495
C    3.3169142509  -2.9047857150   1.3394236910
C    1.3259059511  -3.3967485798   1.6499571393
C   -3.4088440879   1.1282621181   0.0549056995
C   -4.4745620057   1.9952633210  -0.1386434697
C   -3.4637416408  -0.1735812030  -0.4266758059
C   -5.6018613426   1.5622321159  -0.8176468341
C   -4.5869839292  -0.6030824915  -1.1152532077
C   -5.6482365864   0.2668105311  -1.3081380292
H    3.5456697401   2.6438713765  -1.4760225940
H    4.0230266698  -1.8438145566  -1.0083038352
H    2.3628443703  -1.7900474993  -1.6016490835
H    5.2808975341   1.7531998428   0.6475833436
H    3.5957849711   2.2674120087   0.8301335993
H    6.0572304817   0.9035018429  -1.7126534652
H    5.2844689712   1.7577944670  -3.0571092661
H    5.9958998680   2.6687684852  -1.7313431835
H    1.0467838385   0.7839738276  -2.0971103874
H   -0.6348269641   0.8237490265   2.5202723282
H   -1.2467469905   1.4711960235  -1.6703629060
H    4.3878433044  -2.7872188178   1.3927675229
H    0.4323975327  -3.8152116826   2.0867550195
H   -4.4275171892   3.0066687928   0.2439599937
H   -2.6456896831  -0.8646694195  -0.2687108146
H   -6.4317716334   2.2392885854  -0.9670840473
H   -4.6283644641  -1.6165239982  -1.4905420741
*