! 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  -4.5097509594  -1.2189552998   0.3397590261
O    3.3516268823   1.5932099489   0.4533423241
O    0.0994187880  -0.6546770362   1.6272319433
N    1.8304058908  -0.0498245778   0.2817183484
N    0.3257942887  -1.7430235862  -0.3440028764
N   -0.6266152274  -2.5839484068  -2.1429735182
C    2.2112336610   1.1213655490   1.1234453483
C    2.9731660801  -0.4577035280  -0.5843032205
C    4.0532258902   0.4627274654   0.0034159264
C    1.1514358559   2.2151839424   1.1150178118
C    2.5671753125   0.7268687640   2.5579043896
C    3.3764456803  -1.9151737707  -0.4100726932
C    2.7873251660  -0.1218073299  -2.0613077737
C    0.7803461132   2.7684180432  -0.2572686632
C    0.7467141753  -0.7727620070   0.6105110303
C   -0.6398062730   3.3506470725  -0.2855360943
C   -1.6767676311   2.2728685073  -0.1346551042
C   -0.0250807064  -3.0350528350  -0.0314338654
C   -0.0854331225  -1.5229610042  -1.6232597086
C   -1.9956554308   1.4532929672  -1.2155739665
C   -2.2822265433   2.0032062594   1.0890359308
C   -0.5847237358  -3.5393525615  -1.1619242097
C   -2.8678659501   0.3848088387  -1.0826761508
C   -3.1543806705   0.9356177908   1.2450758528
C   -3.4330588338   0.1284952154   0.1559997284
H    4.5960833500  -0.0307911110   0.8191429438
H    4.7836905983   0.7713089311  -0.7440451172
H    1.5131214996   3.0265343017   1.7531726948
H    0.2710361303   1.8188083956   1.6201441944
H    3.2315762551  -0.1367341484   2.6034905986
H    1.6838875802   0.4928287304   3.1451916176
H    3.0738641415   1.5652105705   3.0379459153
H    3.4198261454  -2.2011437886   0.6418375760
H    4.3734406337  -2.0604038086  -0.8303797974
H    2.7128888872  -2.6054894488  -0.9284928127
H    3.7430575514  -0.2381040390  -2.5745922611
H    2.0872453433  -0.7861531885  -2.5613454155
H    2.4579057852   0.9069910184  -2.2094714323
H    1.4901849752   3.5413969915  -0.5575194282
H    0.8411843957   1.9864011017  -1.0183995614
H   -0.7872497799   3.8758129117  -1.2321830457
H   -0.7514524979   4.0973658905   0.5050084931
H    0.1771626474  -3.4711992872   0.9321018960
H   -0.0013598558  -0.5592241134  -2.0972837743
H   -1.5529444363   1.6471328014  -2.1860832317
H   -2.0693556376   2.6307305722   1.9463213625
H   -0.9578628205  -4.5385033281  -1.3239231886
H   -3.0947474336  -0.2436900957  -1.9331642587
H   -3.6050433033   0.7384072565   2.2085400208
*