! 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  -5.9529648200   1.7401257364  -2.1042526631
O    3.1231234790   1.5302938599  -0.1381024714
O    1.3763032716  -1.2371390176   2.3775667167
N    2.3159751848  -0.5058387181   0.4483432954
N    1.5344689249  -2.7138500589   0.6616971225
N    1.8721524669  -4.8068994514   0.0774438374
C    2.6158767730   0.8500152633   0.9879001101
C    2.6827722620  -0.5950735381  -0.9872978397
C    2.6898582218   0.8965229000  -1.3147160515
C    1.3812713140   1.5768484212   1.5410576289
C    3.7214256083   0.8071054841   2.0312781846
C    4.0803402756  -1.1765565661  -1.1758812638
C    1.6676801625  -1.2933097562  -1.8804995801
C    0.1322292220   1.5636571402   0.6697674471
C    1.7462203334  -1.4206299006   1.2374648970
C   -1.0718562546   2.1678491182   1.3959921860
C   -2.3144028327   2.0867972296   0.5564749212
C    0.2975436603  -3.2462795039   0.3966890893
C    2.4433496426  -3.7058359048   0.4739394532
C   -2.7080054636   3.1442525987  -0.2582766367
C   -3.0735933214   0.9189320313   0.5282840823
C    0.5342738982  -4.5313501984   0.0176324372
C   -3.8236019830   3.0482993060  -1.0778798552
C   -4.1908264129   0.8017492416  -0.2839281452
C   -4.5562564372   1.8727912640  -1.0842376525
H    3.3861812597   1.1336082724  -2.1205712798
H    1.6927796379   1.2340591040  -1.6216035521
H    1.6931004146   2.6122377881   1.7089867225
H    1.1412647020   1.1743357580   2.5243327377
H    4.6097818312   0.3097419221   1.6411708458
H    3.4043401885   0.2884794457   2.9333271394
H    3.9990441196   1.8229490034   2.3162732797
H    4.8329064314  -0.6146835637  -0.6221409168
H    4.3528246231  -1.1426914597  -2.2317064863
H    4.1398407265  -2.2170544444  -0.8643099908
H    0.6441730354  -1.0055544764  -1.6381255651
H    1.8537438248  -0.9842578600  -2.9110685749
H    1.7430559829  -2.3782480069  -1.8636373913
H    0.2988277660   2.1226693955  -0.2541039111
H   -0.1235963797   0.5426533511   0.3715603855
H   -0.8604792809   3.2084957428   1.6544742623
H   -1.2281904214   1.6361755228   2.3386162639
H   -0.6106302868  -2.6726901721   0.4773669188
H    3.4947116022  -3.5697735554   0.6711315878
H   -2.1382416901   4.0658732134  -0.2571525978
H   -2.7946846571   0.0803884191   1.1558918658
H   -0.1882977733  -5.2699495958  -0.2923215895
H   -4.1144664278   3.8832421328  -1.7011133293
H   -4.7679165516  -0.1132209392  -0.2876050108
*