! 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   -2.3839684365   0.9043859931   0.6057732911
O    3.1272369829  -2.3811997583   0.9944833590
N    1.0569764825  -2.3464604283   0.1407721878
C   -3.5561084316   1.6060827780   0.1812099179
C   -1.9561456292  -0.1861206622  -0.0572367459
C   -0.1811448762  -1.8094089022  -0.2446967588
C    2.2538348238  -0.2387494774   0.5279567953
C   -0.7280356782  -0.6933330289   0.3694852192
C    2.1922121902   0.4791309590  -0.6705144509
C   -3.9552512556   2.4956803534   1.3402896694
C   -3.2815749934   2.4084819604  -1.0787218993
C    2.1845566732  -1.7297097353   0.5733968564
C   -2.6579047259  -0.8289266786  -1.0741852151
C   -0.8829548997  -2.4604436508  -1.2602019559
C    2.4624591005   0.4161416715   1.7391057217
C   -2.1130918688  -1.9684545767  -1.6523840137
C    2.3082986789   1.8662518369  -0.6026692122
C    2.0137276757  -0.1855868513  -2.0036253415
C    2.5550154423   1.7967119600   1.7856399095
C    2.4734487483   2.5235277492   0.6065810061
H   -4.3659556382   0.8905774744  -0.0008357094
H   -0.2235979691  -0.2015985113   1.1896841163
H    1.1305483011  -3.3543049461   0.0891496414
H   -4.1473533622   1.9141695938   2.2428126741
H   -3.1806230877   3.2322159948   1.5623323829
H   -4.8692473012   3.0364702253   1.0945454554
H   -4.1847492730   2.9363461836  -1.3869623339
H   -2.9700619410   1.7849810689  -1.9173771149
H   -2.5012954005   3.1515256784  -0.9032887751
H   -3.6173021692  -0.4729258289  -1.4216290905
H   -0.4611188049  -3.3339820870  -1.7408576817
H    2.5285130807  -0.1584838828   2.6547730545
H   -2.6615418932  -2.4707312615  -2.4387098181
H    2.2725917271   2.4417606772  -1.5200739162
H    0.9611085442  -0.3898955281  -2.2113390914
H    2.3774971732   0.4572313623  -2.8046977493
H    2.5504038002  -1.1315953709  -2.0769312878
H    2.6968846650   2.2993641631   2.7333136034
H    2.5515715964   3.6030232166   0.6258464953
*