! 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  -5.0134327890  -1.9858239578  -0.3999658802
O    1.7224406862  -1.6245965733  -0.4970596104
N    1.8620001192  -0.2533385824  -0.8578156729
N    0.2559047415   3.5028559346  -0.4722048718
C    2.2266988742   0.4137436802   0.4064420339
C    1.2738841418  -0.3070905676   1.3876093894
C    0.9074372754  -1.6135020556   0.6500826293
C    1.8761657660   1.8821384840   0.2579840691
C    3.6776231598   0.1874775130   0.8302532617
C   -0.5671520916  -1.7116623368   0.3384968672
C    2.8281781863  -0.1921801197  -1.9261641935
C    2.7009155811   2.9127212476   0.6864204807
C    0.6577317995   2.2509530890  -0.3167508358
C   -1.0948474877  -1.4262666792  -0.9155329585
C   -1.4377360752  -2.0921631438   1.3564400388
C    2.2889821178   4.2293614276   0.5308253445
C   -2.4615724626  -1.5069988025  -1.1464059432
C   -2.8038300626  -2.1784993708   1.1424254639
C    1.0608748342   4.4745956060  -0.0543794718
C   -3.3060290130  -1.8815587877  -0.1150047231
H    1.7720736504  -0.5060720626   2.3359547868
H    0.3872160964   0.2850377190   1.6092736920
H    1.1975821075  -2.4868711308   1.2395056137
H    3.8519085337   0.5737893234   1.8346807163
H    4.3940556700   0.6678430982   0.1626238266
H    3.9083965172  -0.8782078147   0.8570581579
H    2.4113919924  -0.6557164569  -2.8205435108
H    3.7855590460  -0.6744375469  -1.7007439955
H    3.0153309290   0.8556063891  -2.1604892484
H    3.6611064467   2.7107665632   1.1417066449
H   -0.0244638059   1.4853576979  -0.6694200389
H   -0.4498940066  -1.1273796085  -1.7299889379
H   -1.0482241503  -2.3312716181   2.3395592108
H    2.9138342797   5.0490492856   0.8585161256
H   -2.8589963754  -1.2784431502  -2.1263712036
H   -3.4638058626  -2.4791447405   1.9449933923
H    0.7092837995   5.4907358994  -0.1937171379
*