! 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   1.4561455327  -0.7089752873   2.3691242305
Cl   4.0094787742  -3.5286560885  -1.3615684479
O   -1.2007061598   0.5899191460  -1.0465237289
O   -1.1207512366  -0.0477765459   1.1057873746
N   -0.7598269980   2.7750109657   0.6210794422
N   -1.2791897674   2.9321339557   1.8406408249
N   -2.3456678235   4.2318230094   0.3615253038
C   -0.3444714407   0.4262043602   0.0406880826
C   -2.3800237556  -0.1767389087  -0.8206547665
C   -2.4722262687  -0.1437198771   0.6948269682
C    0.2636098529   1.8025919501   0.3517685161
C    0.7648212812  -0.5737821797  -0.2755829732
C   -3.5504948343   0.4425528758  -1.5515564026
C   -4.8360504098  -0.3363838592  -1.3128131871
C    1.5978546678  -1.1281497649   0.6953505153
C    0.9892262534  -0.9500447505  -1.5962513983
C    2.5954862826  -2.0353112776   0.3705682132
C    1.9767239937  -1.8543811177  -1.9484883024
C   -1.4100997731   3.5492650327  -0.2518871191
C    2.7717651748  -2.3944710915  -0.9539644848
C   -2.2227300292   3.8152598936   1.6380827604
H   -2.2250545889  -1.2067070938  -1.1704349613
H   -3.0490930592   0.7196269531   1.0486504380
H   -2.9096251716  -1.0480550467   1.1184225280
H    0.8508561176   2.1404938134  -0.5020869537
H    0.9281700921   1.7524226052   1.2110856753
H   -3.3322275283   0.4698539294  -2.6217299539
H   -3.6752865005   1.4785529922  -1.2236437192
H   -4.7340773850  -1.3818590460  -1.6092307162
H   -5.1374291306  -0.3167049581  -0.2638946085
H   -5.6564916725   0.0884711466  -1.8907527573
H    0.3744569542  -0.5305809078  -2.3800538210
H    3.2236150881  -2.4537940905   1.1446011174
H    2.1175384851  -2.1288630860  -2.9846203023
H   -1.1636119330   3.5885259249  -1.3010270333
H   -2.8440510551   4.1790224394   2.4418583364
*