! 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    0.4393753835   2.1847044870   0.0666870693
O   -0.6190284659  -2.2722389810  -0.0035685308
N   -0.1398252506  -0.0334593733   0.0142370273
N    1.5415620510  -1.6542402168   0.0214317093
C   -1.5711041964   0.3319519744   0.0000992469
C   -2.2868750250  -0.0879660697  -1.2822526328
C   -2.3169728629  -0.0996359764   1.2612723216
C   -3.7108154140   0.4642510184  -1.2822297149
C   -3.7405946118   0.4526628552   1.2325475949
C   -4.4764603990   0.0353349585  -0.0356904937
C    2.1701119206   0.6114879468   0.0248413288
C    2.4919571877  -0.6923586247   0.0245865842
C    0.7974767153   1.0180579527   0.0383351697
C    3.3899918187   1.4789838569   0.0768936373
C    3.9627503109  -0.9258564853   0.0729111958
C    4.5202084720   0.4758156922  -0.2408767267
C    0.1991160383  -1.3724935069   0.0097571991
H   -1.5635275722   1.4212544882   0.0053116764
H   -2.3219857543  -1.1735343655  -1.3763606306
H   -1.7381285028   0.2950614856  -2.1466133531
H   -1.7889271831   0.2751177885   2.1420260320
H   -2.3540894878  -1.1861213437   1.3442861889
H   -4.2312279715   0.1295425423  -2.1825845788
H   -3.6796770480   1.5580950645  -1.3307913036
H   -3.7106473279   1.5460146913   1.2919151905
H   -4.2822317353   0.1098643369   2.1171834517
H   -5.4821894556   0.4630784679  -0.0456191143
H   -4.6014914580  -1.0529046437  -0.0422214821
H    3.3611113805   2.3006737030  -0.6400613775
H    3.5107884645   1.9279876700   1.0670381258
H    4.2443862912  -1.2743387243   1.0712042759
H    4.2925551743  -1.6875677964  -0.6355655541
H    4.7654652163   0.5322814541  -1.3019146509
H    5.4325756102   0.6863044616   0.3145429472
H    1.7959903818  -2.6321502099   0.0147512753
*