! 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   0.1913034355  -0.2318452877  -3.1844338844
Cl   3.7969361815  -2.3434142272   0.1578203107
O   -1.2348593217   2.0553632938   0.3142398720
N   -2.3881948907  -0.6437576724   0.4454274933
N   -2.6655661248  -1.2695642588   2.5393981121
C   -1.0705573499   1.1118415361  -0.7070153992
C   -2.3077141691   0.2106743312  -0.7135882081
C    0.1872361694   0.2903224152  -0.5184655214
C    0.8068840289  -0.3791537990  -1.5678092619
C    0.7239819486   0.1141295566   0.7533916316
C   -1.9437879586  -1.9345590549   0.5277690483
C   -2.8016023234  -0.2912037479   1.6837977568
C   -0.4164642020   3.2035767659   0.1726270814
C    1.9163049438  -1.1887657817  -1.3794588294
C    1.8298407860  -0.6869017624   0.9764642997
C    2.4167631627  -1.3342519467  -0.0975754748
C   -2.1281650227  -2.3039024453   1.8270658165
C   -0.7201307520   4.1406928334   1.2921185485
C    0.2022244653   4.6401002707   2.1036309111
H   -1.0439163286   1.6126590715  -1.6842612667
H   -3.2020283206   0.8316274320  -0.7717249331
H   -2.2974386706  -0.4173457679  -1.6027322594
H    0.2673049173   0.6145316393   1.5969183923
H   -1.5534457899  -2.4653097795  -0.3252615632
H   -3.2017021026   0.6875996235   1.8988648810
H    0.6487550973   2.9437764672   0.1703895358
H   -0.6305738628   3.6906664783  -0.7887489498
H    2.3763479520  -1.6950241541  -2.2167332346
H    2.2210899226  -0.8068542007   1.9772057859
H   -1.9061364689  -3.2571026121   2.2820136028
H   -1.7592303199   4.4356678089   1.4041275654
H   -0.0534247735   5.3464855685   2.8831706012
H    1.2483760698   4.3692016551   2.0189965752
*