! 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
Cl   0.3067135106   0.9662972748  -2.3236404584
Cl   2.8510998445   4.4144420867   0.8395006446
O   -1.3893904634  -0.6314950042  -0.4682458908
O   -0.5659685362  -1.2294068092   1.5291881192
N    0.0158849578  -3.1003017087  -0.4978655422
N   -0.6963551352  -3.4413086325  -1.5736992624
N   -0.8368990801  -5.0326075718  -0.0036925643
C   -0.2094142037  -0.7721913406   0.2531057344
C   -2.4689967775  -0.4762702539   0.4461738235
C   -1.9803989837  -1.2834964186   1.6411142835
C    0.6858676464  -1.8312425071  -0.4048217853
C    0.5611967712   0.5430738760   0.3709197362
C   -2.7762695295   0.9770656678   0.7723977749
C   -3.1252762060   1.8110584547  -0.4489376022
C    0.8230977657   1.3706524833  -0.7196809995
C    1.0582302296   0.9466575537   1.6068966027
C    1.5211461381   2.5618464734  -0.5849256410
C    1.7633899740   2.1266816974   1.7697019202
C   -0.0808386007  -4.0546758889   0.4324982384
C    1.9833657614   2.9305618745   0.6655696313
C   -1.1860021744  -4.6051079701  -1.2341565393
H   -3.3439636003  -0.9382353234  -0.0174114653
H   -2.2840942151  -0.8573245919   2.5990349704
H   -2.3226616895  -2.3216058316   1.6014984233
H    1.5898131627  -1.9524692853   0.1923040056
H    0.9887776037  -1.5335127255  -1.4060489334
H   -3.6215495269   0.9750578286   1.4668446331
H   -1.9416524633   1.4324517673   1.3140878568
H   -2.2998795474   1.8582163320  -1.1591246953
H   -3.9916733736   1.4039238709  -0.9747181947
H   -3.3691890288   2.8345440304  -0.1617640959
H    0.8871529608   0.3292344325   2.4769637256
H    1.7006232909   3.1884489654  -1.4475782011
H    2.1303087892   2.4093039690   2.7465900862
H    0.4181246027  -3.9995878393   1.3872561179
H   -1.8159761986  -5.1730364843  -1.9013423828
*