! 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   0.4800274274   0.3320628848   2.6035937878
Cl   5.2086931829  -0.6290922454   0.3307261628
O   -1.2935476040   1.1804321865   0.3188145241
N   -2.8997893101  -1.1561643581  -0.2204556784
N   -4.6774325707  -1.5683461508  -1.4571470186
C   -0.7545498182   0.0457281195  -0.2985077203
C   -1.5199355063  -1.1756025627   0.2049104999
C    0.7370072554  -0.1038465840  -0.0799863368
C    1.3704113416   0.0010937364   1.1565750880
C    1.5412579024  -0.3745713913  -1.1832494192
C   -3.9214827791  -0.4220865218   0.3143118942
C   -3.4073240116  -1.8190878625  -1.2836019215
C   -0.9430590260   2.4083525161  -0.2919759003
C    2.7418862376  -0.1575320729   1.2911776773
C    2.9111627684  -0.5451278728  -1.0815085419
C    3.4999677630  -0.4313653406   0.1657454003
C   -5.0105063314  -0.6938906896  -0.4613256511
C   -1.5728160866   2.5699799744  -1.6395963713
C   -0.8910887098   2.8162509247  -2.7507653718
H   -0.9081327977   0.0910911798  -1.3861256507
H   -1.0569145266  -2.0773594557  -0.1945970809
H   -1.4817796031  -1.2458276299   1.2916443418
H    1.0793358185  -0.4520695298  -2.1600428034
H   -3.7947796448   0.2059332443   1.1794863983
H   -2.8000188185  -2.4788618555  -1.8854701939
H   -1.3063342507   3.1839256202   0.3863674583
H    0.1457851973   2.5283597168  -0.3609762277
H    3.2084507461  -0.0697084313   2.2625932327
H    3.5041111593  -0.7539697615  -1.9610443853
H   -6.0131181062  -0.3094834854  -0.3517941235
H   -2.6552686638   2.4807587273  -1.6751805350
H   -1.3873204232   2.9484628587  -3.7039645118
H    0.1900011486   2.9018644866  -2.7508511604
*