! 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  -5.9652051842   1.8675987465  -2.0293798960
O    2.8362031835   1.6557238518   0.0702756084
O    1.8670369234  -1.6543677283   2.3334282829
N    2.3401106942  -0.5114312350   0.4320970196
N    1.6824209497  -2.7655147350   0.3628209184
N    1.7513677357  -4.8883303820  -0.2100029115
C    2.5270690678   0.7907620586   1.1345067926
C    2.8095751661  -0.4205079617  -0.9761009330
C    3.5557026172   0.9138493903  -0.8804552560
C    1.2535798904   1.3044754432   1.8016496131
C    3.6889189407   0.7471892778   2.1242851405
C    3.7768510545  -1.5204108785  -1.3901582148
C    1.6666760049  -0.2964457940  -1.9784850755
C    0.0206864407   1.3407847037   0.9109642371
C    1.9778538230  -1.5930366057   1.1269962338
C   -1.2000058823   1.8894793413   1.6523184052
C   -2.4155352322   1.9028881764   0.7703910066
C    0.5578679416  -2.9998747733  -0.3910591383
C    2.3488079928  -3.9458540681   0.4593368283
C   -3.2248766583   0.7753737426   0.6540709247
C   -2.7310529346   3.0189920059   0.0001759117
C    0.6260906204  -4.3146989825  -0.7353398099
C   -4.3162643783   0.7542246981  -0.2013269745
C   -3.8184570927   3.0189163140  -0.8612018361
C   -4.6031093066   1.8810344819  -0.9552817915
H    4.5990377215   0.7628279469  -0.5746798753
H    3.5586806771   1.4543779029  -1.8270651028
H    1.4759418005   2.3144696117   2.1603168033
H    1.0518242773   0.7100731286   2.6936053224
H    3.8857409606   1.7572609398   2.4861975935
H    4.6040718659   0.3714066171   1.6642448590
H    3.4699838160   0.1226897693   2.9861412792
H    3.2782735532  -2.4488644053  -1.6624696715
H    4.5137962551  -1.7297926420  -0.6138543576
H    4.3221779577  -1.1875929640  -2.2755199457
H    1.0932476488  -1.2161608504  -2.0702619374
H    0.9835562130   0.5122082753  -1.7203881867
H    2.0778684653  -0.0812089471  -2.9659729748
H    0.2070338294   1.9573963999   0.0284381220
H   -0.2169419454   0.3375591733   0.5458025198
H   -0.9870390359   2.9009550259   2.0079548549
H   -1.3914121610   1.2795377296   2.5392528892
H   -0.1909869248  -2.2482318274  -0.5741840034
H    3.2715920152  -4.0379877086   1.0111166019
H   -3.0060202012  -0.1078438711   1.2427450543
H   -2.1205523872   3.9114736557   0.0706305100
H   -0.0788711962  -4.8760202183  -1.3283284332
H   -4.9339010040  -0.1308966186  -0.2747630705
H   -4.0479929854   3.8979743190  -1.4485136255
*