! 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    0.4634510155   0.0924825957  -0.9184037694
N    1.2765324958  -2.6677477694  -0.3026092500
N    0.4930887830  -2.6328689957  -1.3839664471
N    1.5817638305  -4.5774652677  -1.2863237807
C    2.9021480497   0.1300322034  -0.5167688924
C    1.4619926373  -0.1645242013   0.0218954394
C    3.7134084728   0.2731217984   0.7770027226
C    1.3822293809   0.8071710901   1.1851293702
C    2.7641151580   0.9434346887   1.7817393306
C    1.2982950083  -1.5727726417   0.6455032226
C    2.8817340447   1.4699871833  -1.2599810004
C    3.4875547852  -0.9203819841  -1.4524460723
C    0.3483843248   1.5419587943   1.6010963964
C    1.9161978553  -3.8358016340  -0.2554269385
C    0.7127554279  -3.7952999484  -1.9485416689
H    4.6251847464   0.8504920092   0.6164795463
H    4.0333541895  -0.7072440557   1.1389736417
H    3.0113351626   1.9943591211   1.9412198327
H    2.8183239352   0.4665409732   2.7634802802
H    0.3642526009  -1.6016119769   1.2080004169
H    2.0954764346  -1.7845904986   1.3566768637
H    3.9021279687   1.7652363821  -1.5114929091
H    2.3215528431   1.4071691264  -2.1928374109
H    2.4455475052   2.2797862739  -0.6716686818
H    3.7092519997  -1.8632586210  -0.9526961555
H    2.8328176908  -1.1253399085  -2.3019025092
H    4.4334348326  -0.5598962130  -1.8628734092
H    0.2797367025  -0.7171773662  -1.4212661758
H    2.6053496130  -4.0970456890   0.5323841977
H    0.2239103822  -4.0847042773  -2.8654767923
C   -1.0512637401   1.5942833940   1.1550503539
C   -3.7185468302   1.8585065676   0.3687692251
C   -1.6622093206   2.8474190619   1.0687003954
C   -1.8322913999   0.4736247522   0.8704846401
C   -3.1552240868   0.5967321546   0.4800386080
C   -2.9809641695   2.9916600839   0.6683041879
H   -1.0926028714   3.7370507605   1.3092338197
H   -1.4246675793  -0.5206750897   0.9756956560
H   -3.7407314997  -0.2878450701   0.2686526503
H   -3.4226226964   3.9764064494   0.5959791886
Cl  -5.3700893251   2.0175481630  -0.1344384764
H    0.5770080718   2.2659500186   2.3808655437
*