! 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   -0.3789298300  -1.2160132540   1.4953877692
O   -2.4096927112   0.0143517927  -1.8972081896
O    0.0851443308  -0.9340358740  -0.6715174296
O   -0.3427199009   3.6573696960  -1.6157116208
N   -0.5257029604   1.8043198602  -0.3143183586
N    1.5665306056   2.5686729014  -1.0873038145
N    3.6599351953   3.2354174992  -1.2311475617
C    0.0439582812   0.9990419211   0.7600398445
C   -0.4583160760   1.4284772413   2.1408781445
C   -1.9885370054   1.8563320541  -0.3855192589
C   -0.1044192741  -0.4877097405   0.4314772765
C    0.1598608757   2.7232167883  -1.0294024011
C   -0.2260998912   2.9091564546   2.3976705986
C   -2.5810127618   0.5264943298  -0.6599596278
C   -0.5081302106  -2.6378902074   1.3399167771
C    0.8319310186  -3.3418503309   1.4157948430
C   -3.2708826356  -0.3511029313   0.1097200646
C    0.6491632453  -4.8560331508   1.3023469300
C    2.3174593476   1.4407667164  -1.3468127843
C    2.4347811706   3.6208442616  -1.0488297106
C   -3.5284531991  -1.4885019191  -0.7128319248
C   -2.9733110644  -1.2079336647  -1.9144086138
C    3.5991128470   1.8798157842  -1.4298342593
C    1.9560792146  -5.5808748349   1.3412725691
C    2.3109277678  -6.4616882184   2.2687707391
H    1.1243255635   1.1641457586   0.7715722170
H   -1.5109459936   1.1768738736   2.2854382468
H    0.0931931518   0.8518787379   2.8839613508
H   -2.2693282531   2.5657759984  -1.1613686070
H   -2.4030474261   2.2421564729   0.5474140465
H   -0.4920657466   3.1601783047   3.4244742669
H    0.8231319261   3.1791193428   2.2600658206
H   -0.8223128296   3.5520441520   1.7481521720
H   -1.0268400069  -2.8662259434   0.4068176832
H   -1.1516727611  -2.9453321159   2.1642338173
H    1.3204043941  -3.1006674114   2.3633257946
H    1.4881281387  -2.9918784315   0.6148503686
H   -3.5569484987  -0.2104507352   1.1400795497
H    0.1431445639  -5.0818615895   0.3574170668
H   -0.0019583564  -5.2170950369   2.1032374557
H    1.8805101423   0.4664868847  -1.4821253063
H    2.1040934579   4.6305602447  -0.8620407569
H   -4.0522474699  -2.3907983040  -0.4419466458
H   -2.9150721745  -1.7560688640  -2.8413940148
H    4.4825767538   1.2945504753  -1.6312015051
H    2.6542627023  -5.3447680773   0.5419720510
H    3.2759897042  -6.9523222531   2.2449741037
H    1.6501076414  -6.7302492270   3.0856681161
*