! 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   -0.0666952984  -1.0650660433   1.2095063237
O   -1.6783757248  -0.4206848754  -1.8458200658
O   -1.5574573509  -0.3982877773   2.7328202123
O    0.0666619625   2.5278086205  -1.8218471705
N   -0.5320566736   1.5087659802   0.1157932867
N    1.7285892865   1.9176848345  -0.4078581592
N    3.7101159283   1.0509713397   0.0061191332
C   -0.2711865486   1.2567883056   1.5294517215
C   -0.8809601303   2.3174996060   2.4421400820
C   -1.9304057108   1.4384825763  -0.3075656038
C   -0.7274867055  -0.1538411837   1.8965443377
C    0.3576358922   2.0115896888  -0.7664204435
C   -0.3952351326   3.7171782264   2.1023340836
C   -2.3206102377   0.0833297829  -0.7704674832
C   -0.3333573984  -2.4520910435   1.4763602155
C    0.7391233073  -3.2766013896   0.8033428609
C   -3.2584178990  -0.7941502336  -0.3395651988
C    0.7312905552  -3.2035795774  -0.7239273073
C    2.6462950484   2.9199135228  -0.6261122650
C    2.4366609663   0.8077615134  -0.0431179356
C   -3.1875730176  -1.9184693703  -1.2178589879
C   -2.2071643348  -1.6347304900  -2.1044935884
C    3.8543127066   2.3685957510  -0.3438486991
C    1.8730278446  -3.9667655420  -1.3144480948
C    1.7579876090  -5.0409386246  -2.0858327011
H    0.8060258659   1.2810561015   1.6965892150
H   -1.9718759797   2.2834711153   2.4261111409
H   -0.5881690162   2.0695388656   3.4640731403
H   -2.1083974866   2.1821758712  -1.0836506827
H   -2.5745963491   1.7140398818   0.5264188044
H   -0.7517315119   4.4311603720   2.8447172694
H    0.6953741445   3.7761294693   2.0934514888
H   -0.7578310528   4.0600468806   1.1320277369
H   -1.3280140073  -2.7037111369   1.1002580393
H   -0.3207186015  -2.6271139248   2.5536973548
H    0.5828321500  -4.3130541711   1.1130723541
H    1.7183091448  -2.9871413512   1.1970244699
H   -3.9198371011  -0.6583821576   0.5011791020
H    0.7945498951  -2.1595249798  -1.0467154511
H   -0.2181340280  -3.5903629735  -1.1027547834
H    2.3584324974   3.9113738390  -0.9319064524
H    1.9636015348  -0.1410737367   0.1525199339
H   -3.7843483927  -2.8155610418  -1.1855155457
H   -1.7974694657  -2.1726923943  -2.9442855896
H    4.8202828782   2.8474443334  -0.3712283642
H    2.8667563616  -3.6015237964  -1.0661309870
H    2.6288077848  -5.5551825621  -2.4730310496
H    0.7915589073  -5.4492129635  -2.3604373166
*