! 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  -5.4481364406  -0.7526890231  -0.1733938173
O    3.2511554600   1.4403420811   1.0086722494
O    1.8329753082  -1.5231808489  -1.9608206396
N    2.5052849309  -0.3402316626  -0.1457275381
N    0.5202595563  -1.6012844907  -0.1119749170
N   -0.7199509519  -2.8870061920   1.1744353869
C    2.2323256783   0.4735600315   1.0808629074
C    3.8259778220   0.0144199384  -0.7208787032
C    4.3842009209   0.8292878156   0.4440144717
C    0.8971714206   1.2144888671   1.0715241188
C    2.3871833600  -0.3317180327   2.3697152476
C    4.6973824228  -1.2038860667  -0.9860386883
C    3.7027730379   0.8920682245  -1.9645656157
C    0.6343421451   2.1025570978  -0.1360384448
C    1.6748905737  -1.1434251949  -0.8198939056
C   -0.6667901452   2.9043712123  -0.0042064346
C   -1.8960702626   2.0409860914  -0.0346443496
C   -0.7755290541  -1.4510822018  -0.5451660716
C    0.4933035376  -2.4989610538   0.9117202002
C   -2.4791688674   1.5640641047   1.1359956913
C   -2.4563499913   1.6535758759  -1.2499420441
C   -1.5228824982  -2.2296743205   0.2809814563
C   -3.5720519546   0.7110300427   1.1042456647
C   -3.5521640181   0.8056572476  -1.3043234590
C   -4.0963347591   0.3344201246  -0.1205309643
H    4.9038958337   0.1891456111   1.1687797917
H    5.0798982926   1.6024917601   0.1179899238
H    0.8931224957   1.8326385082   1.9754443945
H    0.0855065522   0.4998111166   1.2101756040
H    2.5290640659   0.3584634270   3.2021883571
H    3.2425591404  -1.0070211896   2.3405510058
H    1.5015263348  -0.9206331717   2.5950947883
H    4.3788074215  -1.7640936639  -1.8626806214
H    4.7088185625  -1.8789873203  -0.1290849802
H    5.7238409087  -0.8768650858  -1.1623407134
H    3.1399494800   1.8034843805  -1.7607475092
H    4.6992756339   1.1878173594  -2.2967722677
H    3.2225809637   0.3704310975  -2.7892166624
H    1.4565483523   2.8098274031  -0.2591419273
H    0.5938283211   1.5139810758  -1.0573242642
H   -0.7109441889   3.6272692854  -0.8216988287
H   -0.6400653207   3.4842568259   0.9222772840
H   -1.0418421419  -0.8005213304  -1.3600580612
H    1.3920535820  -2.8497469482   1.3936954270
H   -2.0761477191   1.8581456610   2.0978202335
H   -2.0314469673   2.0173056666  -2.1784161613
H   -2.5942775632  -2.3528372428   0.2807567735
H   -4.0042335506   0.3454595825   2.0260244243
H   -3.9713348646   0.5166004850  -2.2588655171
*