! 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    0.8891644986   0.5357893075  -1.3024613359
N    0.9067086011  -2.2313507121  -0.4180623780
N    0.9309907066  -2.9829194304   0.6846553779
N   -1.0185325316  -3.2315578639  -0.3845281286
C    3.2373316520   0.8045372279  -0.5138559951
C    1.8660162044   0.0641133899  -0.4194726747
C    3.9679897159   0.2992884800   0.7430394331
C    1.5643176832   0.1911878544   1.0585986634
C    2.8705631442   0.0016876712   1.7864239525
C    2.0388256140  -1.4181464978  -0.7900271835
C    3.0064958235   2.3139995556  -0.4003037740
C    4.0051339391   0.5241334101  -1.7984098274
C    0.4202266374   0.4970116470   1.6629561479
C   -0.2628940008  -2.3839514536  -1.0429086818
C   -0.2409157079  -3.5659512842   0.6639922279
H    4.6865081669   1.0373639243   1.1027168258
H    4.5444645268  -0.6008952946   0.5192746512
H    2.9332484518   0.6539947194   2.6577749921
H    2.9523476621  -1.0228572995   2.1586474634
H    2.9100146769  -1.8584669351  -0.3104610785
H    2.1823710871  -1.5052495406  -1.8673681805
H    2.4838227432   2.5959235925   0.5168528943
H    3.9652187073   2.8354273310  -0.3922447273
H    2.4417882225   2.7117063631  -1.2466486034
H    4.9419770717   1.0851599750  -1.8067825660
H    4.2685546256  -0.5280213619  -1.9158231127
H    3.4379214232   0.8293181808  -2.6804046215
H    0.6250156439   1.4277274994  -1.0575348065
H   -0.5143446841  -1.8748809476  -1.9593504304
H   -0.5438424015  -4.2628497103   1.4303893846
C   -0.8992437660   0.7743776958   1.0510508971
C   -3.4164312755   1.3223030766  -0.0060018761
C   -1.1936208056   2.0270071053   0.5149485123
C   -1.9071554862  -0.1857405489   1.0732289303
C   -3.1615102629   0.0763730377   0.5447011293
C   -2.4412312848   2.3061014704  -0.0228915592
H   -0.4425624934   2.8090497411   0.5236086281
H   -1.7125206730  -1.1578075974   1.5062069677
H   -3.9285711685  -0.6861578126   0.5636338633
H   -2.6465993492   3.2810431769  -0.4442141218
Cl  -4.9808096554   1.6585105109  -0.6736774093
H    0.4386433929   0.5636005132   2.7492171378
*