! 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   -0.4215705089  -0.1337401432  -0.8274323570
O   -1.3768403013  -0.8827515460   1.0758406273
O    6.0671130057   1.7378106615   0.3170378851
O    6.0457266951  -0.4654182812  -0.1262193291
N   -2.5816132413   0.1613443083  -0.5713899478
N    4.1171283374   0.7376933467   0.1625081853
C   -3.8877022564   0.1632411726  -0.0687508699
C   -6.1426934483   1.0180010405  -0.3693664207
C   -4.8107591405   0.9584274332  -0.7523193480
C    3.1305994911  -0.2283626586  -0.0350934426
C    0.8083701329  -0.6544831960  -0.4863953888
C   -4.3093619811  -0.5884611549   1.0246201083
C   -6.5558272731   0.2622329560   0.7278256786
C    1.8409410210   0.2409843276  -0.2928908360
C   -5.6432949636  -0.5252075706   1.4078936398
C   -7.1133316377   1.8918962760  -1.1064931086
C    3.3519511597  -1.6027687639   0.0434572269
C    1.0111914937  -2.0234326270  -0.4252913885
C    2.2917293321  -2.4761401927  -0.1551299519
C   -1.4688717375  -0.3413086604   0.0040866966
C    5.4642088593   0.5712700808   0.0956900928
C    7.4914028583   1.7411746784   0.2752150823
H   -4.4773807853   1.5422142396  -1.6043116662
H   -3.6301424261  -1.2223508195   1.5716099117
H   -7.5914631590   0.2886127549   1.0450778140
H    1.6465438938   1.3052619056  -0.3584567066
H   -5.9698943987  -1.1146550649   2.2554495111
H   -2.4547631481   0.6240291379  -1.4603921964
H    4.3302562274  -2.0022868701   0.2561601495
H    0.2007241008  -2.7202427936  -0.5937221338
H   -8.0422959422   1.3626910715  -1.3219504868
H   -7.3771400088   2.7712987188  -0.5153612325
H   -6.7037193946   2.2449157484  -2.0522773081
H    2.4746237852  -3.5408994618  -0.0954372722
H    3.7898267520   1.6850658119   0.2872933771
H    7.8687554141   1.4705339050  -0.7111020898
H    7.9189358414   1.0726474815   1.0228841189
H    7.7912700866   2.7610326296   0.5022704699
*