! 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 4
end
%cpcm
    smd    true
    smdsolvent "1-OCTANOL"
end
*xyz 0 1
O   -2.6253419385  -1.0234415285   0.0008693859
N    0.1897361082  -1.0352982779  -0.0007213000
N    0.2293544700   1.1893528238  -0.0003301806
C    1.5132839975  -0.6900189349  -0.0005984565
C    1.5151189564   0.7161523550  -0.0002672353
C   -0.5248677099   0.1219045355  -0.0003843703
C   -1.9639349883   0.1537276619   0.0000931622
C    2.6831630922  -1.4396225110  -0.0005859009
C    2.7256140208   1.4090331148   0.0003779022
C    3.8733642698  -0.7327016845  -0.0000236949
C   -2.8462613062   1.1869184832  -0.0004538900
C    3.8945346909   0.6703722279   0.0005265793
C   -4.1400034668   0.5961247929   0.0000771335
C   -3.9429706276  -0.7439606722   0.0007382826
H   -0.1849640337  -1.9718899914   0.0003356938
H    2.6699155546  -2.5217473373  -0.0009229672
H    2.7438350472   2.4915621638   0.0009932764
H   -2.5982338717   2.2361594110  -0.0015851912
H    4.8482902888   1.1821298113   0.0015209113
H   -5.0911418739   1.1033529281  -0.0005230867
H   -4.6167290578  -1.5858560011   0.0010875539
H    4.8100581320  -1.2749412760   0.0004656800
*