! 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   -3.7793094298  -0.4155969371  -0.0219534720
O    2.7187594983  -2.6955805483  -0.1703751210
N    0.7044085556  -1.7497362505  -0.4256532299
C   -4.8838724433   0.4937480073  -0.0672453099
C   -2.5433554426  -0.0233476541  -0.3774357814
C   -0.2333507334  -0.7147590045  -0.5760654125
C    2.5775623150  -0.4079388880   0.4020933462
C   -1.5437557650  -0.9812007117  -0.2065142038
C    3.7116417404   0.1545647621  -0.1945018286
C   -6.1318857803  -0.3626136312  -0.1244014996
C   -4.8747542955   1.4086178392   1.1437980724
C    2.0208609931  -1.6965271033  -0.1036113086
C   -2.2118429362   1.2277332960  -0.8929703753
C    0.0967261227   0.5219386910  -1.1283712052
C    2.0099486021   0.1679122664   1.5343932622
C   -0.8954974011   1.4760209091  -1.2617344010
C    4.2411954148   1.3091444726   0.3756881200
C    4.3460228915  -0.4323110288  -1.4220949254
C    2.5671246198   1.3036340099   2.0994437564
C    3.6855250498   1.8766806066   1.5130435224
H   -4.8322364724   1.0886350050  -0.9853050092
H   -1.8035650342  -1.9445317112   0.2171272299
H    0.3557616904  -2.6854212676  -0.5902408852
H   -6.2314978990  -0.9849956741   0.7669111670
H   -7.0152032232   0.2730490747  -0.1881572681
H   -6.1283630942  -1.0121945661  -1.0005459486
H   -5.7223107264   2.0936739463   1.0997085408
H   -3.9705115581   2.0155923569   1.2045567925
H   -4.9577655777   0.8320548892   2.0670935665
H   -2.9481805095   2.0074301281  -1.0280356681
H    1.1011835948   0.7397105572  -1.4610169232
H    1.1338676262  -0.2788032406   1.9885676555
H   -0.6445002668   2.4417061568  -1.6809407393
H    5.1086675733   1.7716013020  -0.0798878799
H    3.6090447306  -0.7216513448  -2.1732811667
H    5.0197305496   0.2873468657  -1.8869671972
H    4.9305656625  -1.3229228735  -1.1861546538
H    2.1278195404   1.7393766237   2.9869979066
H    4.1261406512   2.7697592363   1.9373746573
*