! 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  -0.5808016820  -0.9642457597  -2.1220593207
Cl   4.0750232126  -1.9617245465   0.3009680942
O   -0.8507001133   2.5253998822   0.4939227544
N   -2.3898515747  -0.7625904656   0.7716519787
N   -3.3977119698  -2.4972302977  -0.1397822944
C   -1.0535698053   1.2033514179   0.0739359434
C   -2.0710587638   0.6140486411   1.0583739947
C    0.2373215236   0.4129579465   0.0761304196
C    0.5291035929  -0.5840236772  -0.8484554025
C    1.1761652880   0.6493725412   1.0775508725
C   -1.7060148610  -1.8718577190   1.1882913375
C   -3.3894320777  -1.1966467832  -0.0284146977
C   -0.2562379284   3.3567543659  -0.4875509131
C    1.7055211422  -1.3174737156  -0.7941558161
C    2.3554344543  -0.0685672767   1.1630209575
C    2.6091074003  -1.0497343180   0.2180119050
C   -2.3462721029  -2.9312181715   0.6164696356
C   -0.1673138983   4.7406168184   0.0609972075
C    0.9543316166   5.4464919746   0.1001985259
H   -1.4952521023   1.1886047829  -0.9309105228
H   -1.6889465721   0.6846518815   2.0777240327
H   -2.9899711082   1.1986801037   1.0089761704
H    0.9835170014   1.4191539840   1.8138549961
H   -0.8543333900  -1.8142550790   1.8454413364
H   -4.0850388432  -0.5140006882  -0.4927053023
H    0.7387275610   2.9938064058  -0.7733622515
H   -0.8754027740   3.3543704325  -1.3956463919
H    1.9075936251  -2.0845936520  -1.5286593809
H    3.0636546505   0.1373512029   1.9535168554
H   -2.1079094327  -3.9789253214   0.7153219024
H   -1.0962192332   5.1788932967   0.4133838305
H    0.9705751493   6.4618571348   0.4745664964
H    1.8987701625   5.0411344031  -0.2437211430
*