! 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   -2.8115492573   0.1095063657   1.0131847319
O    1.9233724583  -1.5288252345  -0.2198991205
O   -1.5414866893  -1.5606690768  -0.9495990233
O   -3.8771820451   0.4662724078  -0.9145890033
N   -0.3922418083   0.2797556100  -0.3690954256
C   -1.5627673521   1.0762087871  -0.7547617836
C    0.8207100452   0.9362278090   0.0000315482
C    1.6062669630   1.5034498084  -1.0074836440
C    1.1934309695   0.9940136998   1.3436040898
C   -1.4881445582   2.5100666594  -0.2426362831
C   -0.4897571535  -1.0566756100  -0.5715244433
C   -2.8688735597   0.4764494327  -0.2542880778
C    2.7791276651   2.1546089518  -0.6437046224
C    2.3776239926   1.6507082237   1.6678033596
C    1.2099290747   1.4146310384  -2.4506481359
C    0.3927709179   0.3287736406   2.4211398788
C    3.1629791269   2.2295628462   0.6858766883
C    0.6455715030  -1.9544028641  -0.3174427198
C    0.6000712880  -3.3075729675  -0.1692162926
C    1.9371973192  -3.7298034771   0.0452280104
C    2.6928699536  -2.6043629514  -0.0029202277
C   -3.9885024972  -0.4597798051   1.5823353483
H   -1.6467787875   1.0961616774  -1.8448691434
H   -2.3987313854   3.0362964143  -0.5296241035
H   -1.3978840901   2.5576509945   0.8420347491
H   -0.6547895147   3.0565219030  -0.6795873905
H    3.4005021969   2.6004433779  -1.4108328834
H    2.6849071203   1.7075778487   2.7051458326
H    2.0481976206   1.6709736210  -3.0968969407
H    0.8753369017   0.4149616966  -2.7307286329
H    0.4000776437   2.1061824177  -2.6955896208
H    0.6085756912   0.7716310841   3.3930811065
H   -0.6794526283   0.3945381621   2.2525985837
H    0.6401786900  -0.7338662850   2.4944296095
H    4.0791534442   2.7390290153   0.9562145473
H   -0.2828171190  -3.9250053116  -0.1992642033
H    2.2906413096  -4.7342330726   0.2105672586
H    3.7526032725  -2.4275375469   0.0904530790
H   -3.7399249692  -0.6934264977   2.6137199998
H   -4.2723770221  -1.3766443027   1.0660581265
H   -4.8247036611   0.2388682583   1.5649647828
*