! 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    4.0508409007  -0.3927618254  -0.0319974433
O    0.3529210254   1.6371681054   0.1168379020
N   -0.5144520529  -0.4577853637  -0.0126516547
C    1.8505411773  -0.1892499306   0.0359342560
C    3.0371144189   0.4887594586  -0.0471301323
C    0.5143249880   0.4279499170   0.0501622804
C   -1.8916339518  -0.2179747741  -0.0067824591
C    2.1944088489  -1.5840092370   0.1089234304
C    3.4255948777   1.9113259591  -0.1575992179
C    3.5372696456  -1.6409496514   0.0636944120
C   -2.7166712157  -1.3438106207  -0.0926945068
C   -2.4815220996   1.0445663609   0.0766810272
C   -4.0937991494  -1.2159110586  -0.0969049384
C   -3.8661155193   1.1557273856   0.0715662989
C   -4.6823866497   0.0391560321  -0.0147328678
H    1.5410984098  -2.4376538145   0.1961152499
H   -0.2707811409  -1.4323595640  -0.0940394730
H    4.0142023630   2.0809478016  -1.0615245668
H    2.5545317557   2.5549938878  -0.1893699711
H    4.0421531255   2.2108140293   0.6924409406
H    4.2437989989  -2.4539822590   0.0931500941
H   -2.2741510897  -2.3314076449  -0.1578502570
H   -1.8838700474   1.9379101352   0.1438430797
H   -4.7073403227  -2.1048791368  -0.1648847133
H   -4.3056049139   2.1429053584   0.1366052793
H   -5.7592227852   0.1432248417  -0.0178747545
*