! 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
O   -2.9682960141   0.5957120862   0.2353184657
O    3.0013863614  -1.9832175938   1.1449434667
N    0.9772440089  -2.2442417017   0.2236140570
C   -2.3891747872   1.6242679009   1.0452860291
C   -2.2365846413  -0.4479899716  -0.1966730363
C   -0.2985701996  -1.8779451173  -0.2328395236
C    1.9974764529  -0.0079038067   0.3446199607
C   -0.9622577832  -0.7606033114   0.2695803294
C    1.9552667850   0.5155915695  -0.9520838618
C   -1.4680206177   2.5053244668   0.2213563669
C   -3.5526554704   2.4024236138   1.6244120289
C    2.0291263610  -1.4786623210   0.6059178133
C   -2.8523558868  -1.2699059812  -1.1425500239
C   -0.9133269397  -2.7017818987  -1.1698526732
C    2.1413269781   0.8338877728   1.4451810757
C   -2.1921389963  -2.3917252504  -1.6079129726
C    2.0428645030   1.8992870403  -1.0969943062
C    1.8354489025  -0.3511780927  -2.1711727061
C    2.2018114155   2.2070303113   1.2793528577
C    2.1565287028   2.7397709591  -0.0006066592
H   -1.8307098823   1.1730435350   1.8730318880
H   -0.4901801336  -0.1641444939   1.0358775622
H    1.1431515641  -3.2394996408   0.2950889464
H   -0.6368859260   1.9517708256  -0.2156453929
H   -2.0176436623   2.9897713892  -0.5884631643
H   -1.0388891066   3.2853806755   0.8507967921
H   -4.2040048966   1.7628916096   2.2215302799
H   -4.1508508909   2.8661886794   0.8376017530
H   -3.1817777906   3.1957030117   2.2734690776
H   -3.8474510033  -1.0273489648  -1.4937925986
H   -0.3944097624  -3.5698955329  -1.5563882978
H    2.1921083980   0.4098419219   2.4405902021
H   -2.6767310464  -3.0305397600  -2.3351137922
H    2.0250894662   2.3245903630  -2.0934000952
H    0.7995534183  -0.6455444061  -2.3532198041
H    2.1758142452   0.1837664723  -3.0572446998
H    2.4252467227  -1.2651464030  -2.0970707063
H    2.2946306135   2.8537186789   2.1420551286
H    2.2135590948   3.8105720636  -0.1478880985
*