! 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   -0.6134502284  -2.6822322272   0.3437568914
O    2.5187363024   2.6121011300   0.5554470997
O    0.5093436042   3.4765109530   0.0865903813
N   -0.8576211059  -0.4245576194   0.2860379390
N    1.1510964597  -1.4049947681   0.9607350854
N   -1.4679978069   1.6482377484  -0.0778788483
N    0.8282073158   1.2142714746   0.4649360420
C    2.8246714448  -2.8521305514  -0.1637348097
C    2.0795444179  -2.5067075301   1.1193503631
C   -2.2253518599  -0.4472646109  -0.0298558841
C    3.6923577925  -1.7147288795  -0.6875651353
C   -2.5957076392   0.8765531164  -0.2559523728
C   -0.4120247769   0.8830833992   0.2402363516
C   -0.0901086686  -1.5996310827   0.5255930272
C   -3.1649343898  -1.4622243150  -0.1318059738
C   -3.8842434825   1.2440270234  -0.5925733308
C    4.4301665076  -2.0804441018  -1.9660265598
C   -4.4628506219  -1.0990920900  -0.4722456700
C   -4.8210141198   0.2264574163  -0.7012283989
C    1.2096919735   2.5114208516   0.3456980579
C    3.0980128521   3.9064232668   0.4420386266
H    2.1057791222  -3.1597990859  -0.9295397806
H    3.4508372726  -3.7267754273   0.0377924960
H    2.7880822543  -2.2179533894   1.8971676001
H    1.5418047294  -3.3770270973   1.4930759512
H    3.0765812653  -0.8287870606  -0.8702645948
H    4.4155239200  -1.4290812369   0.0831587246
H    1.4987301199  -0.4485988672   0.9797595499
H   -2.9185999843  -2.4964787137   0.0384013419
H   -4.1456914412   2.2793612971  -0.7642903813
H    3.7339879055  -2.3273652683  -2.7703979370
H    5.0543605058  -1.2564232859  -2.3153233516
H    5.0808115044  -2.9450728107  -1.8186844062
H   -5.2109513360  -1.8752543908  -0.5627592815
H   -5.8413820413   0.4672289323  -0.9675850881
H    4.1624724403   3.7735267411   0.6202917741
H    2.9577702080   4.3289941864  -0.5541165889
H    2.6991492445   4.5987925282   1.1848696072
H   -1.3901640894   2.6508891176  -0.1834667562
*