! 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  -6.4828508875   4.6706079959   0.6903078834
O    1.7591722303   0.8910537860   0.7680636787
O    1.0773906322  -3.1610486658   0.3768451011
N    2.2501263666  -1.2302991465   0.1850414592
N    3.2332949013  -3.3024926663  -0.3266590865
N    4.3761646615  -4.7312292153  -1.5485051593
C    1.1522600048  -0.3767855911   0.7288476077
C    3.3736442789  -0.3880631904  -0.2982425229
C    2.6546597552   0.9629070048  -0.3116549382
C   -0.0535947195  -0.3696890949  -0.2219409395
C    0.7824313547  -0.7455630238   2.1555946245
C    4.5291331916  -0.3440369411   0.6972470097
C    3.8661844110  -0.7203731053  -1.6993759153
C   -1.1325841138   0.6349718975   0.1670194353
C    2.0927014874  -2.5534696409   0.1099188827
C   -2.2657069038   0.6600011359  -0.8608289061
C   -3.3331859108   1.6523494701  -0.4980577744
C    4.3125395407  -3.6846633259   0.4325835274
C    3.3110426534  -3.9853311401  -1.4987859008
C   -4.4092915618   1.2857797576   0.3062276676
C   -3.2513938483   2.9770454607  -0.9198883746
C    5.0062747778  -4.5589485717  -0.3467293722
C   -5.3801093338   2.2041092321   0.6777805421
C   -4.2114921338   3.9110095313  -0.5600659369
C   -5.2719176119   3.5138420142   0.2386025060
H    3.3371805775   1.7978088318  -0.1544762061
H    2.1348886332   1.1264096046  -1.2643787909
H   -0.4861184220  -1.3697867434  -0.2562891894
H    0.2895759041  -0.1522824360  -1.2384329526
H    0.2237293345   0.0699636806   2.6146009927
H    1.6753337140  -0.9147656171   2.7582125586
H    0.1618428972  -1.6368929897   2.1986738342
H    4.1911192596  -0.0755406640   1.6986229633
H    5.2571341770   0.4033669572   0.3782118225
H    5.0557236602  -1.2942154734   0.7568985476
H    4.5564055756  -1.5615828255  -1.7224977765
H    3.0405914511  -0.9212041345  -2.3831141670
H    4.4103338104   0.1420647321  -2.0892338030
H   -1.5503220452   0.3858004865   1.1461599731
H   -0.7062253087   1.6373635745   0.2547792121
H   -2.7024384798  -0.3387321377  -0.9436451961
H   -1.8557281400   0.9038080657  -1.8445448957
H    4.4675391185  -3.3394032364   1.4406024338
H    2.5719520701  -3.8740006246  -2.2772660793
H   -4.5006335053   0.2618399866   0.6490575872
H   -2.4257896356   3.2921857821  -1.5471113113
H    5.9194090613  -5.0781863781  -0.1008679304
H   -6.2111453499   1.8973223163   1.2987913385
H   -4.1320372062   4.9340415784  -0.9027726110
*