! 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  -4.4964720036  -1.2460645358  -0.2043176664
O    3.3488590503   1.6365751901   0.3124240161
O    0.3593735730  -0.7213893196   1.9009319226
N    1.8565259116  -0.0473857756   0.3288594970
N    0.3494453547  -1.8024090374  -0.0876489465
N   -0.4349570911  -3.7676347327  -0.6924331384
C    2.3142866795   1.1342540672   1.1184753502
C    2.8547668608  -0.3906485175  -0.7229813995
C    3.9932986071   0.5337991284  -0.2716697493
C    1.2313991205   2.1991591602   1.2426433304
C    2.8610829675   0.7518010382   2.4934780598
C    3.3226462575  -1.8387553445  -0.6829525141
C    2.4199958203  -0.0061577301  -2.1328928615
C    0.7672658580   2.8249099812  -0.0693722157
C    0.8616306147  -0.8120536669   0.8015765548
C   -0.6585107176   3.3882797736   0.0188169547
C   -1.6844504889   2.2906518513  -0.0171153007
C   -0.3071945716  -1.6075182275  -1.2783446106
C    0.2147872296  -3.1185977804   0.2285826219
C   -2.0999291299   1.7649166392  -1.2401037224
C   -2.1892461979   1.7147425139   1.1447212498
C   -0.7787354493  -2.8331053632  -1.6318930428
C   -2.9710688386   0.6896523919  -1.3082146288
C   -3.0538668611   0.6298205258   1.0984668471
C   -3.4321766707   0.1209982030  -0.1313265755
H    4.6578693522   0.0250757740   0.4390593869
H    4.6001854296   0.8793757567  -1.1090084972
H    1.6137308227   2.9840365390   1.9016292019
H    0.3940825088   1.7552586425   1.7805719832
H    3.5432231454  -0.0981505660   2.4499017560
H    2.0689748207   0.5051718267   3.1946663746
H    3.4109477049   1.6024282964   2.8987129718
H    2.6198845402  -2.5288107349  -1.1469086207
H    3.5258105288  -2.1741881604   0.3351184182
H    4.2559518097  -1.9183006572  -1.2439120285
H    2.1119459023   1.0373282793  -2.1974002444
H    3.2621148646  -0.1421386070  -2.8135093652
H    1.6110096736  -0.6293151722  -2.5060398622
H    1.4518055799   3.6233725258  -0.3609701862
H    0.7895523923   2.0928984786  -0.8800422414
H   -0.8233895476   4.0668367315  -0.8210040657
H   -0.7690126750   3.9857032521   0.9277633574
H   -0.4234895069  -0.6362917372  -1.7250114493
H    0.6391447952  -3.5365497910   1.1282784599
H   -1.7345869950   2.1985287037  -2.1640618791
H   -1.9066050227   2.1114947070   2.1123396101
H   -1.3575096633  -3.0871521024  -2.5059784339
H   -3.2772842573   0.2968472395  -2.2685637106
H   -3.4229740813   0.1917711160   2.0159507041
*