! 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   -0.4969467081   1.9167887858  -0.6874511500
N   -2.2017914937   0.5129117644  -0.1840211536
N   -0.4718278204  -1.4496149009   0.3930154926
N   -1.7912101362  -1.6855037459   0.4418543867
N   -3.1579183531   1.4768835571  -0.4700102508
C    0.0075990588  -0.2954513458   0.0642282046
C    1.4730848677  -0.1474660622   0.0246703772
C   -0.8589430827   0.8235636193  -0.3020270732
C   -2.6246519095  -0.7280532506   0.1755208811
C    2.1073646180   1.0233096184   0.4428997986
C    2.2532116123  -1.2256009027  -0.3970726898
C   -4.0819891391  -0.9988798385   0.2566586360
C    3.4915979773   1.1093352003   0.4356083588
C    3.6352951712  -1.1311295907  -0.4127278851
C    4.2594638812   0.0378668224   0.0021556047
H    1.5319376324   1.8660016154   0.7979087242
H    1.7737895371  -2.1382015219  -0.7263539747
H   -4.2295907838  -2.0300500090   0.5665340866
H   -4.5700201838  -0.8465215839  -0.7058612320
H   -4.5690896672  -0.3387854304   0.9737329897
H    3.9702425270   2.0198837023   0.7717903704
H    4.2261961400  -1.9715578824  -0.7530050493
H    5.3392234432   0.1120968619  -0.0105451116
H   -2.9514876018   2.3041311050   0.0787771781
H   -3.0765681132   1.7330982347  -1.4483816432
*