! 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   -0.5918363933  -2.5184172186  -0.4615192483
O    2.4064614184   2.8595940823  -0.0277097804
O    0.3313024549   3.6488755129   0.2457250242
N   -0.8861199351  -0.2724635720  -0.2830276023
N    1.2326911302  -1.1841869134  -0.6309160260
N   -1.5950988406   1.7706811626   0.0698018118
N    0.7644660246   1.4086273352  -0.1529839911
C    2.9345147612  -2.5200865368   0.5677774555
C    2.2140827873  -2.2419442272  -0.7451656698
C   -2.2867081211  -0.3308405048  -0.1967497403
C    4.0051301797  -3.5929457445   0.4192282749
C   -2.7183007384   0.9751320177   0.0263736910
C   -0.4854257511   1.0399968457  -0.1180654170
C   -0.0629592786  -1.4234436983  -0.4610631010
C   -3.2089152383  -1.3613468744  -0.3030555415
C   -4.0523786280   1.3082090619   0.1598112325
C    4.7653145102  -3.8446925230   1.7122615911
C   -4.5531519218  -1.0321019462  -0.1715131497
C   -4.9725440681   0.2752260261   0.0578596328
C    1.0863385701   2.7133784085   0.0388033848
C    2.9246328523   4.1708523719   0.1617284596
H    2.2050307469  -2.8253309741   1.3241475141
H    3.3915576521  -1.5936790491   0.9302730571
H    1.7270278683  -3.1445568151  -1.1126748374
H    2.9347691423  -1.9403635918  -1.5077444184
H    3.5432429736  -4.5246432110   0.0787341289
H    4.7093868487  -3.2987012578  -0.3651202532
H    1.5499652727  -0.2197586659  -0.5464211736
H   -2.9154109499  -2.3818086863  -0.4811798160
H   -4.3609014530   2.3300865175   0.3343338824
H    5.5199184584  -4.6225428569   1.5867883068
H    5.2781840599  -2.9431623502   2.0534727568
H    4.0955035566  -4.1637959006   2.5132098902
H   -5.2898521974  -1.8202186182  -0.2512330160
H   -6.0279587593   0.4906747619   0.1565121751
H    2.5649506817   4.8647970127  -0.5990316536
H    2.6824255045   4.5647740836   1.1495997501
H    4.0044332042   4.0802956838   0.0734523444
H   -1.5627464453   2.7701405729   0.2169969284
*