! 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   0.4590929002   0.5411394699  -2.8428676423
Cl   3.8105940856  -2.3368274867   0.1744175930
O   -1.3446668762   1.8605352375   0.9556129501
N   -2.4737314077  -0.7755855734   0.3642028230
N   -2.9682859352  -1.8500609281   2.2233769607
C   -1.0720011002   1.1815801212  -0.2405620512
C   -2.2887932831   0.3145862833  -0.5632239093
C    0.1813669659   0.3391569679  -0.1475070884
C    0.9231374851  -0.0209500822  -1.2673659256
C    0.5995436575  -0.1670353157   1.0800919275
C   -2.0249724896  -2.0575471806   0.2040435657
C   -3.0249845310  -0.7044198495   1.5967340245
C   -0.4804116467   2.9513257003   1.2381266054
C    2.0389780413  -0.8400693693  -1.1868165891
C    1.7092663064  -0.9849781183   1.1965541181
C    2.4212026742  -1.3146522990   0.0553875044
C   -2.3445471300  -2.7055522396   1.3601785687
C   -0.5991637259   4.0547183158   0.2352069953
C    0.4214173733   4.5037353106  -0.4837482173
H   -0.9734095036   1.8922560347  -1.0704525647
H   -3.1825707125   0.9395220562  -0.5699532207
H   -2.1836317488  -0.1001804515  -1.5648093005
H    0.0458432191   0.0827686791   1.9754338751
H   -1.5363390527  -2.3886122180  -0.6973738162
H   -3.4623338559   0.2053429693   1.9775564977
H   -0.7825156230   3.3064636190   2.2258983616
H    0.5640227905   2.6264277150   1.3178059837
H    2.5964195686  -1.0985589359  -2.0763075863
H    2.0076180907  -1.3608715465   2.1653690430
H   -2.1596495219  -3.7385169632   1.6120625634
H   -1.5837417365   4.4980698570   0.1152310059
H    0.3068597194   5.3198986697  -1.1857344804
H    1.4144302668   4.0777619480  -0.3931417522
*